USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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 Set 1.1: A 83 MET CE :methyl -167:sc= -1.7 (180deg=-2.14!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 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 23 SER OG : rot -71:sc= 1.26 USER MOD Single : A 24 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0.916 X(o=0.92,f=1.2) USER MOD Single : A 31 ASN : amide:sc=-0.00529 K(o=-0.0053,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -107:sc= 0.00152 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 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= -0.0874 X(o=-0.087,f=-0.46) USER MOD Single : A 52 ASN : amide:sc= 0.909 K(o=0.91,f=-3.8!) USER MOD Single : A 53 SER OG : rot 85:sc= 1.28 USER MOD Single : A 56 MET CE :methyl -178:sc= 0 (180deg=-0.00404) USER MOD Single : A 57 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.1 (180deg=1.1) USER MOD Single : A 67 MET CE :methyl -149:sc= -0.17 (180deg=-1.23) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : A 82 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 2.247 1.734 -3.724 1.00 2.60 N ATOM 30 CA CYS A 16 2.948 3.017 -3.658 1.00 2.53 C ATOM 31 C CYS A 16 4.002 3.145 -4.766 1.00 2.32 C ATOM 32 O CYS A 16 5.185 2.840 -4.590 1.00 1.88 O ATOM 33 CB CYS A 16 3.446 3.213 -2.226 1.00 2.38 C ATOM 34 SG CYS A 16 2.058 3.715 -1.174 1.00 2.16 S ATOM 0 HA CYS A 16 2.279 3.851 -3.871 1.00 2.53 H new ATOM 0 HB2 CYS A 16 3.885 2.288 -1.852 1.00 2.38 H new ATOM 0 HB3 CYS A 16 4.229 3.971 -2.201 1.00 2.38 H new ATOM 39 N LEU A 17 3.541 3.588 -5.940 1.00 2.67 N ATOM 40 CA LEU A 17 4.346 3.739 -7.153 1.00 2.62 C ATOM 41 C LEU A 17 5.473 4.767 -6.996 1.00 2.47 C ATOM 42 O LEU A 17 6.512 4.592 -7.630 1.00 2.23 O ATOM 43 CB LEU A 17 3.448 4.121 -8.344 1.00 3.08 C ATOM 44 CG LEU A 17 2.889 2.914 -9.114 1.00 3.20 C ATOM 45 CD1 LEU A 17 1.833 2.156 -8.310 1.00 3.96 C ATOM 46 CD2 LEU A 17 2.288 3.394 -10.433 1.00 4.57 C ATOM 0 H LEU A 17 2.567 3.859 -6.075 1.00 2.67 H new ATOM 0 HA LEU A 17 4.817 2.774 -7.340 1.00 2.62 H new ATOM 0 HB2 LEU A 17 2.616 4.725 -7.981 1.00 3.08 H new ATOM 0 HB3 LEU A 17 4.019 4.745 -9.031 1.00 3.08 H new ATOM 0 HG LEU A 17 3.712 2.224 -9.300 1.00 3.20 H new ATOM 0 HD11 LEU A 17 1.467 1.312 -8.895 1.00 3.96 H new ATOM 0 HD12 LEU A 17 2.274 1.791 -7.383 1.00 3.96 H new ATOM 0 HD13 LEU A 17 1.003 2.824 -8.079 1.00 3.96 H new ATOM 0 HD21 LEU A 17 1.890 2.541 -10.983 1.00 4.57 H new ATOM 0 HD22 LEU A 17 1.485 4.102 -10.230 1.00 4.57 H new ATOM 0 HD23 LEU A 17 3.060 3.882 -11.028 1.00 4.57 H new ATOM 58 N SER A 18 5.299 5.781 -6.144 1.00 2.66 N ATOM 59 CA SER A 18 6.308 6.814 -5.862 1.00 2.70 C ATOM 60 C SER A 18 7.555 6.217 -5.206 1.00 2.25 C ATOM 61 O SER A 18 8.658 6.343 -5.741 1.00 2.02 O ATOM 62 CB SER A 18 5.733 7.879 -4.928 1.00 3.17 C ATOM 63 OG SER A 18 4.671 8.597 -5.531 1.00 3.72 O ATOM 0 H SER A 18 4.435 5.912 -5.618 1.00 2.66 H new ATOM 0 HA SER A 18 6.586 7.260 -6.817 1.00 2.70 H new ATOM 0 HB2 SER A 18 5.377 7.405 -4.014 1.00 3.17 H new ATOM 0 HB3 SER A 18 6.523 8.573 -4.640 1.00 3.17 H new ATOM 0 HG SER A 18 4.330 9.266 -4.902 1.00 3.72 H new ATOM 69 N GLU A 19 7.374 5.507 -4.087 1.00 2.20 N ATOM 70 CA GLU A 19 8.417 4.737 -3.402 1.00 1.82 C ATOM 71 C GLU A 19 8.941 3.589 -4.280 1.00 1.32 C ATOM 72 O GLU A 19 10.132 3.281 -4.235 1.00 1.14 O ATOM 73 CB GLU A 19 7.870 4.155 -2.082 1.00 1.83 C ATOM 74 CG GLU A 19 7.745 5.160 -0.922 1.00 2.11 C ATOM 75 CD GLU A 19 6.647 6.225 -1.074 1.00 1.55 C ATOM 76 OE1 GLU A 19 5.711 6.050 -1.884 1.00 2.13 O ATOM 77 OE2 GLU A 19 6.719 7.260 -0.359 1.00 2.39 O ATOM 0 H GLU A 19 6.469 5.451 -3.619 1.00 2.20 H new ATOM 0 HA GLU A 19 9.242 5.418 -3.194 1.00 1.82 H new ATOM 0 HB2 GLU A 19 6.888 3.723 -2.274 1.00 1.83 H new ATOM 0 HB3 GLU A 19 8.521 3.340 -1.766 1.00 1.83 H new ATOM 0 HG2 GLU A 19 7.560 4.604 -0.003 1.00 2.11 H new ATOM 0 HG3 GLU A 19 8.702 5.667 -0.801 1.00 2.11 H new ATOM 84 N SER A 20 8.090 2.976 -5.113 1.00 1.29 N ATOM 85 CA SER A 20 8.518 1.910 -6.041 1.00 1.06 C ATOM 86 C SER A 20 9.447 2.441 -7.148 1.00 1.00 C ATOM 87 O SER A 20 10.465 1.827 -7.468 1.00 0.86 O ATOM 88 CB SER A 20 7.293 1.218 -6.644 1.00 1.43 C ATOM 89 OG SER A 20 7.664 0.077 -7.399 1.00 1.83 O ATOM 0 H SER A 20 7.096 3.198 -5.166 1.00 1.29 H new ATOM 0 HA SER A 20 9.094 1.183 -5.468 1.00 1.06 H new ATOM 0 HB2 SER A 20 6.611 0.923 -5.847 1.00 1.43 H new ATOM 0 HB3 SER A 20 6.754 1.919 -7.282 1.00 1.43 H new ATOM 0 HG SER A 20 6.861 -0.345 -7.770 1.00 1.83 H new ATOM 95 N ASP A 21 9.155 3.621 -7.697 1.00 1.23 N ATOM 96 CA ASP A 21 10.000 4.317 -8.671 1.00 1.24 C ATOM 97 C ASP A 21 11.303 4.807 -8.022 1.00 1.18 C ATOM 98 O ASP A 21 12.387 4.534 -8.532 1.00 1.13 O ATOM 99 CB ASP A 21 9.183 5.469 -9.272 1.00 1.56 C ATOM 100 CG ASP A 21 10.017 6.440 -10.104 1.00 2.06 C ATOM 101 OD1 ASP A 21 10.224 6.194 -11.316 1.00 2.41 O ATOM 102 OD2 ASP A 21 10.420 7.489 -9.558 1.00 3.29 O ATOM 0 H ASP A 21 8.302 4.133 -7.471 1.00 1.23 H new ATOM 0 HA ASP A 21 10.299 3.636 -9.468 1.00 1.24 H new ATOM 0 HB2 ASP A 21 8.392 5.055 -9.897 1.00 1.56 H new ATOM 0 HB3 ASP A 21 8.698 6.019 -8.466 1.00 1.56 H new ATOM 107 N ALA A 22 11.214 5.457 -6.858 1.00 1.33 N ATOM 108 CA ALA A 22 12.370 5.999 -6.146 1.00 1.45 C ATOM 109 C ALA A 22 13.327 4.897 -5.638 1.00 1.28 C ATOM 110 O ALA A 22 14.549 5.070 -5.682 1.00 1.40 O ATOM 111 CB ALA A 22 11.845 6.899 -5.026 1.00 1.70 C ATOM 0 H ALA A 22 10.328 5.622 -6.381 1.00 1.33 H new ATOM 0 HA ALA A 22 12.982 6.588 -6.829 1.00 1.45 H new ATOM 0 HB1 ALA A 22 12.685 7.320 -4.474 1.00 1.70 H new ATOM 0 HB2 ALA A 22 11.252 7.706 -5.456 1.00 1.70 H new ATOM 0 HB3 ALA A 22 11.224 6.313 -4.349 1.00 1.70 H new ATOM 117 N SER A 23 12.798 3.732 -5.242 1.00 1.06 N ATOM 118 CA SER A 23 13.599 2.536 -4.935 1.00 0.93 C ATOM 119 C SER A 23 14.176 1.863 -6.182 1.00 0.90 C ATOM 120 O SER A 23 15.342 1.486 -6.163 1.00 1.15 O ATOM 121 CB SER A 23 12.827 1.510 -4.110 1.00 0.83 C ATOM 122 OG SER A 23 11.634 1.121 -4.747 1.00 1.62 O ATOM 0 H SER A 23 11.795 3.590 -5.124 1.00 1.06 H new ATOM 0 HA SER A 23 14.432 2.907 -4.337 1.00 0.93 H new ATOM 0 HB2 SER A 23 13.452 0.633 -3.942 1.00 0.83 H new ATOM 0 HB3 SER A 23 12.597 1.930 -3.131 1.00 0.83 H new ATOM 0 HG SER A 23 10.990 1.859 -4.714 1.00 1.62 H new ATOM 128 N THR A 24 13.438 1.780 -7.294 1.00 0.85 N ATOM 129 CA THR A 24 13.985 1.302 -8.584 1.00 1.08 C ATOM 130 C THR A 24 15.172 2.177 -9.030 1.00 1.35 C ATOM 131 O THR A 24 16.235 1.656 -9.393 1.00 1.57 O ATOM 132 CB THR A 24 12.879 1.264 -9.656 1.00 1.10 C ATOM 133 OG1 THR A 24 11.840 0.399 -9.238 1.00 1.08 O ATOM 134 CG2 THR A 24 13.359 0.750 -11.011 1.00 1.34 C ATOM 0 H THR A 24 12.452 2.038 -7.334 1.00 0.85 H new ATOM 0 HA THR A 24 14.357 0.286 -8.450 1.00 1.08 H new ATOM 0 HB THR A 24 12.546 2.295 -9.772 1.00 1.10 H new ATOM 0 HG1 THR A 24 11.130 0.923 -8.812 1.00 1.08 H new ATOM 0 HG21 THR A 24 12.528 0.751 -11.716 1.00 1.34 H new ATOM 0 HG22 THR A 24 14.153 1.397 -11.385 1.00 1.34 H new ATOM 0 HG23 THR A 24 13.740 -0.265 -10.901 1.00 1.34 H new ATOM 142 N ARG A 25 15.029 3.506 -8.894 1.00 1.41 N ATOM 143 CA ARG A 25 16.078 4.520 -9.113 1.00 1.68 C ATOM 144 C ARG A 25 17.245 4.378 -8.129 1.00 1.78 C ATOM 145 O ARG A 25 18.385 4.481 -8.575 1.00 1.99 O ATOM 146 CB ARG A 25 15.454 5.930 -9.039 1.00 1.78 C ATOM 147 CG ARG A 25 14.602 6.284 -10.272 1.00 1.95 C ATOM 148 CD ARG A 25 13.523 7.340 -9.986 1.00 1.89 C ATOM 149 NE ARG A 25 14.041 8.665 -9.590 1.00 3.17 N ATOM 150 CZ ARG A 25 13.297 9.746 -9.410 1.00 4.30 C ATOM 151 NH1 ARG A 25 12.005 9.754 -9.536 1.00 4.49 N ATOM 152 NH2 ARG A 25 13.820 10.880 -9.068 1.00 5.87 N ATOM 0 H ARG A 25 14.140 3.923 -8.616 1.00 1.41 H new ATOM 0 HA ARG A 25 16.498 4.362 -10.106 1.00 1.68 H new ATOM 0 HB2 ARG A 25 14.834 5.999 -8.145 1.00 1.78 H new ATOM 0 HB3 ARG A 25 16.250 6.667 -8.932 1.00 1.78 H new ATOM 0 HG2 ARG A 25 15.256 6.649 -11.064 1.00 1.95 H new ATOM 0 HG3 ARG A 25 14.124 5.379 -10.646 1.00 1.95 H new ATOM 0 HD2 ARG A 25 12.906 7.458 -10.877 1.00 1.89 H new ATOM 0 HD3 ARG A 25 12.872 6.969 -9.194 1.00 1.89 H new ATOM 0 HE ARG A 25 15.047 8.754 -9.444 1.00 3.17 H new ATOM 0 HH11 ARG A 25 11.512 8.897 -9.786 1.00 4.49 H new ATOM 0 HH12 ARG A 25 11.483 10.617 -9.385 1.00 4.49 H new ATOM 0 HH21 ARG A 25 14.828 10.956 -8.931 1.00 5.87 H new ATOM 0 HH22 ARG A 25 13.224 11.697 -8.936 1.00 5.87 H new ATOM 166 N CYS A 26 16.987 4.070 -6.849 1.00 1.66 N ATOM 167 CA CYS A 26 18.014 3.741 -5.845 1.00 1.75 C ATOM 168 C CYS A 26 18.826 2.506 -6.254 1.00 1.80 C ATOM 169 O CYS A 26 20.051 2.508 -6.240 1.00 2.04 O ATOM 170 CB CYS A 26 17.384 3.522 -4.452 1.00 1.59 C ATOM 171 SG CYS A 26 18.479 2.647 -3.289 1.00 1.81 S ATOM 0 H CYS A 26 16.039 4.042 -6.474 1.00 1.66 H new ATOM 0 HA CYS A 26 18.691 4.593 -5.791 1.00 1.75 H new ATOM 0 HB2 CYS A 26 17.115 4.489 -4.028 1.00 1.59 H new ATOM 0 HB3 CYS A 26 16.460 2.955 -4.565 1.00 1.59 H new ATOM 176 N LEU A 27 18.153 1.432 -6.638 1.00 1.65 N ATOM 177 CA LEU A 27 18.781 0.157 -6.982 1.00 1.76 C ATOM 178 C LEU A 27 19.639 0.252 -8.249 1.00 2.01 C ATOM 179 O LEU A 27 20.723 -0.330 -8.335 1.00 2.25 O ATOM 180 CB LEU A 27 17.633 -0.847 -7.096 1.00 1.60 C ATOM 181 CG LEU A 27 17.306 -1.503 -5.749 1.00 1.46 C ATOM 182 CD1 LEU A 27 17.360 -0.689 -4.449 1.00 1.32 C ATOM 183 CD2 LEU A 27 15.917 -2.129 -5.835 1.00 1.33 C ATOM 0 H LEU A 27 17.137 1.418 -6.722 1.00 1.65 H new ATOM 0 HA LEU A 27 19.492 -0.161 -6.219 1.00 1.76 H new ATOM 0 HB2 LEU A 27 16.746 -0.341 -7.478 1.00 1.60 H new ATOM 0 HB3 LEU A 27 17.897 -1.618 -7.820 1.00 1.60 H new ATOM 0 HG LEU A 27 18.141 -2.195 -5.638 1.00 1.46 H new ATOM 0 HD11 LEU A 27 17.097 -1.330 -3.607 1.00 1.32 H new ATOM 0 HD12 LEU A 27 18.367 -0.298 -4.306 1.00 1.32 H new ATOM 0 HD13 LEU A 27 16.654 0.140 -4.509 1.00 1.32 H new ATOM 0 HD21 LEU A 27 15.671 -2.600 -4.883 1.00 1.33 H new ATOM 0 HD22 LEU A 27 15.182 -1.355 -6.058 1.00 1.33 H new ATOM 0 HD23 LEU A 27 15.905 -2.880 -6.625 1.00 1.33 H new ATOM 195 N ASP A 28 19.202 1.072 -9.191 1.00 1.97 N ATOM 196 CA ASP A 28 20.051 1.507 -10.308 1.00 2.20 C ATOM 197 C ASP A 28 21.195 2.480 -9.902 1.00 2.33 C ATOM 198 O ASP A 28 22.290 2.386 -10.454 1.00 2.54 O ATOM 199 CB ASP A 28 19.180 2.058 -11.437 1.00 2.32 C ATOM 200 CG ASP A 28 20.062 2.425 -12.626 1.00 2.61 C ATOM 201 OD1 ASP A 28 20.510 1.521 -13.371 1.00 3.84 O ATOM 202 OD2 ASP A 28 20.369 3.630 -12.783 1.00 2.37 O ATOM 0 H ASP A 28 18.258 1.457 -9.211 1.00 1.97 H new ATOM 0 HA ASP A 28 20.579 0.625 -10.670 1.00 2.20 H new ATOM 0 HB2 ASP A 28 18.440 1.316 -11.735 1.00 2.32 H new ATOM 0 HB3 ASP A 28 18.632 2.935 -11.093 1.00 2.32 H new ATOM 207 N GLU A 29 20.995 3.386 -8.937 1.00 2.24 N ATOM 208 CA GLU A 29 22.027 4.252 -8.347 1.00 2.38 C ATOM 209 C GLU A 29 23.178 3.471 -7.692 1.00 2.47 C ATOM 210 O GLU A 29 24.344 3.728 -7.993 1.00 2.71 O ATOM 211 CB GLU A 29 21.379 5.164 -7.277 1.00 2.35 C ATOM 212 CG GLU A 29 21.270 6.622 -7.728 1.00 2.46 C ATOM 213 CD GLU A 29 20.773 7.568 -6.616 1.00 2.40 C ATOM 214 OE1 GLU A 29 21.041 7.333 -5.409 1.00 3.46 O ATOM 215 OE2 GLU A 29 20.066 8.558 -6.923 1.00 2.85 O ATOM 0 H GLU A 29 20.074 3.543 -8.529 1.00 2.24 H new ATOM 0 HA GLU A 29 22.452 4.833 -9.166 1.00 2.38 H new ATOM 0 HB2 GLU A 29 20.384 4.787 -7.039 1.00 2.35 H new ATOM 0 HB3 GLU A 29 21.967 5.115 -6.360 1.00 2.35 H new ATOM 0 HG2 GLU A 29 22.246 6.962 -8.075 1.00 2.46 H new ATOM 0 HG3 GLU A 29 20.590 6.683 -8.578 1.00 2.46 H new ATOM 222 N ASN A 30 22.866 2.539 -6.790 1.00 2.32 N ATOM 223 CA ASN A 30 23.794 1.885 -5.866 1.00 2.39 C ATOM 224 C ASN A 30 23.760 0.347 -5.994 1.00 2.39 C ATOM 225 O ASN A 30 23.494 -0.363 -5.021 1.00 2.43 O ATOM 226 CB ASN A 30 23.534 2.419 -4.439 1.00 2.33 C ATOM 227 CG ASN A 30 22.072 2.416 -4.035 1.00 2.16 C ATOM 228 OD1 ASN A 30 21.478 3.457 -3.795 1.00 2.16 O ATOM 229 ND2 ASN A 30 21.447 1.263 -4.010 1.00 2.06 N ATOM 0 H ASN A 30 21.910 2.203 -6.679 1.00 2.32 H new ATOM 0 HA ASN A 30 24.821 2.139 -6.127 1.00 2.39 H new ATOM 0 HB2 ASN A 30 24.098 1.815 -3.728 1.00 2.33 H new ATOM 0 HB3 ASN A 30 23.918 3.437 -4.368 1.00 2.33 H new ATOM 0 HD21 ASN A 30 20.452 1.227 -3.788 1.00 2.06 H new ATOM 0 HD22 ASN A 30 21.956 0.403 -4.212 1.00 2.06 H new ATOM 236 N ASN A 31 23.983 -0.168 -7.208 1.00 2.45 N ATOM 237 CA ASN A 31 24.214 -1.587 -7.511 1.00 2.62 C ATOM 238 C ASN A 31 23.294 -2.579 -6.749 1.00 2.42 C ATOM 239 O ASN A 31 23.754 -3.443 -5.998 1.00 2.41 O ATOM 240 CB ASN A 31 25.723 -1.864 -7.369 1.00 2.96 C ATOM 241 CG ASN A 31 26.133 -3.189 -7.983 1.00 4.29 C ATOM 242 OD1 ASN A 31 25.365 -3.865 -8.651 1.00 5.03 O ATOM 243 ND2 ASN A 31 27.355 -3.600 -7.779 1.00 4.98 N ATOM 0 H ASN A 31 24.009 0.417 -8.043 1.00 2.45 H new ATOM 0 HA ASN A 31 23.914 -1.779 -8.541 1.00 2.62 H new ATOM 0 HB2 ASN A 31 26.283 -1.059 -7.845 1.00 2.96 H new ATOM 0 HB3 ASN A 31 25.992 -1.859 -6.313 1.00 2.96 H new ATOM 0 HD21 ASN A 31 27.669 -4.485 -8.177 1.00 4.98 H new ATOM 0 HD22 ASN A 31 27.996 -3.036 -7.221 1.00 4.98 H new ATOM 250 N TYR A 32 21.980 -2.397 -6.898 1.00 2.28 N ATOM 251 CA TYR A 32 20.885 -3.191 -6.320 1.00 2.14 C ATOM 252 C TYR A 32 20.952 -3.440 -4.795 1.00 2.06 C ATOM 253 O TYR A 32 20.593 -4.512 -4.308 1.00 2.18 O ATOM 254 CB TYR A 32 20.582 -4.438 -7.175 1.00 2.38 C ATOM 255 CG TYR A 32 19.102 -4.667 -7.454 1.00 2.31 C ATOM 256 CD1 TYR A 32 18.214 -5.011 -6.416 1.00 3.01 C ATOM 257 CD2 TYR A 32 18.601 -4.512 -8.763 1.00 2.72 C ATOM 258 CE1 TYR A 32 16.848 -5.201 -6.677 1.00 3.14 C ATOM 259 CE2 TYR A 32 17.230 -4.692 -9.027 1.00 2.85 C ATOM 260 CZ TYR A 32 16.348 -5.041 -7.982 1.00 2.62 C ATOM 261 OH TYR A 32 15.024 -5.221 -8.215 1.00 2.95 O ATOM 0 H TYR A 32 21.623 -1.632 -7.470 1.00 2.28 H new ATOM 0 HA TYR A 32 20.005 -2.551 -6.377 1.00 2.14 H new ATOM 0 HB2 TYR A 32 21.108 -4.348 -8.125 1.00 2.38 H new ATOM 0 HB3 TYR A 32 20.984 -5.316 -6.670 1.00 2.38 H new ATOM 0 HD1 TYR A 32 18.588 -5.130 -5.410 1.00 3.01 H new ATOM 0 HD2 TYR A 32 19.273 -4.254 -9.568 1.00 2.72 H new ATOM 0 HE1 TYR A 32 16.179 -5.471 -5.873 1.00 3.14 H new ATOM 0 HE2 TYR A 32 16.853 -4.563 -10.031 1.00 2.85 H new ATOM 0 HH TYR A 32 14.836 -5.073 -9.165 1.00 2.95 H new ATOM 271 N ASP A 33 21.369 -2.436 -4.016 1.00 1.96 N ATOM 272 CA ASP A 33 21.414 -2.467 -2.544 1.00 1.93 C ATOM 273 C ASP A 33 20.017 -2.279 -1.916 1.00 1.58 C ATOM 274 O ASP A 33 19.701 -1.304 -1.227 1.00 1.45 O ATOM 275 CB ASP A 33 22.473 -1.494 -1.998 1.00 2.13 C ATOM 276 CG ASP A 33 22.992 -1.927 -0.626 1.00 2.33 C ATOM 277 OD1 ASP A 33 22.223 -2.447 0.209 1.00 3.18 O ATOM 278 OD2 ASP A 33 24.220 -1.802 -0.392 1.00 2.77 O ATOM 0 H ASP A 33 21.696 -1.550 -4.402 1.00 1.96 H new ATOM 0 HA ASP A 33 21.732 -3.464 -2.239 1.00 1.93 H new ATOM 0 HB2 ASP A 33 23.306 -1.433 -2.699 1.00 2.13 H new ATOM 0 HB3 ASP A 33 22.044 -0.494 -1.925 1.00 2.13 H new ATOM 283 N ARG A 34 19.159 -3.268 -2.167 1.00 1.51 N ATOM 284 CA ARG A 34 17.851 -3.457 -1.505 1.00 1.26 C ATOM 285 C ARG A 34 17.939 -3.755 0.000 1.00 1.35 C ATOM 286 O ARG A 34 16.909 -3.898 0.654 1.00 1.33 O ATOM 287 CB ARG A 34 16.964 -4.453 -2.289 1.00 1.44 C ATOM 288 CG ARG A 34 17.564 -5.830 -2.636 1.00 2.13 C ATOM 289 CD ARG A 34 17.837 -6.788 -1.471 1.00 2.39 C ATOM 290 NE ARG A 34 16.607 -7.193 -0.766 1.00 3.45 N ATOM 291 CZ ARG A 34 16.537 -8.077 0.213 1.00 4.49 C ATOM 292 NH1 ARG A 34 17.561 -8.775 0.603 1.00 4.85 N ATOM 293 NH2 ARG A 34 15.413 -8.272 0.831 1.00 5.93 N ATOM 0 H ARG A 34 19.355 -3.990 -2.860 1.00 1.51 H new ATOM 0 HA ARG A 34 17.349 -2.490 -1.539 1.00 1.26 H new ATOM 0 HB2 ARG A 34 16.055 -4.620 -1.710 1.00 1.44 H new ATOM 0 HB3 ARG A 34 16.665 -3.973 -3.221 1.00 1.44 H new ATOM 0 HG2 ARG A 34 16.888 -6.328 -3.331 1.00 2.13 H new ATOM 0 HG3 ARG A 34 18.502 -5.666 -3.166 1.00 2.13 H new ATOM 0 HD2 ARG A 34 18.344 -7.676 -1.848 1.00 2.39 H new ATOM 0 HD3 ARG A 34 18.515 -6.310 -0.764 1.00 2.39 H new ATOM 0 HE ARG A 34 15.735 -6.753 -1.060 1.00 3.45 H new ATOM 0 HH11 ARG A 34 18.466 -8.651 0.148 1.00 4.85 H new ATOM 0 HH12 ARG A 34 17.460 -9.447 1.364 1.00 4.85 H new ATOM 0 HH21 ARG A 34 14.584 -7.743 0.561 1.00 5.93 H new ATOM 0 HH22 ARG A 34 15.358 -8.955 1.587 1.00 5.93 H new ATOM 307 N GLU A 35 19.143 -3.811 0.565 1.00 1.53 N ATOM 308 CA GLU A 35 19.377 -3.865 2.015 1.00 1.68 C ATOM 309 C GLU A 35 19.480 -2.448 2.615 1.00 1.70 C ATOM 310 O GLU A 35 18.869 -2.183 3.650 1.00 1.76 O ATOM 311 CB GLU A 35 20.618 -4.719 2.324 1.00 1.97 C ATOM 312 CG GLU A 35 20.498 -6.162 1.810 1.00 2.06 C ATOM 313 CD GLU A 35 21.763 -6.962 2.136 1.00 2.54 C ATOM 314 OE1 GLU A 35 22.720 -6.931 1.323 1.00 3.36 O ATOM 315 OE2 GLU A 35 21.832 -7.596 3.217 1.00 2.91 O ATOM 0 H GLU A 35 20.005 -3.821 0.020 1.00 1.53 H new ATOM 0 HA GLU A 35 18.521 -4.344 2.490 1.00 1.68 H new ATOM 0 HB2 GLU A 35 21.495 -4.251 1.876 1.00 1.97 H new ATOM 0 HB3 GLU A 35 20.782 -4.736 3.402 1.00 1.97 H new ATOM 0 HG2 GLU A 35 19.631 -6.643 2.263 1.00 2.06 H new ATOM 0 HG3 GLU A 35 20.333 -6.157 0.733 1.00 2.06 H new ATOM 322 N ARG A 36 20.149 -1.507 1.932 1.00 1.73 N ATOM 323 CA ARG A 36 20.127 -0.064 2.251 1.00 1.78 C ATOM 324 C ARG A 36 18.765 0.574 1.986 1.00 1.59 C ATOM 325 O ARG A 36 18.209 1.249 2.853 1.00 1.78 O ATOM 326 CB ARG A 36 21.215 0.667 1.465 1.00 1.96 C ATOM 327 CG ARG A 36 22.581 0.456 2.123 1.00 2.29 C ATOM 328 CD ARG A 36 23.619 1.257 1.343 1.00 2.99 C ATOM 329 NE ARG A 36 24.899 1.351 2.063 1.00 3.22 N ATOM 330 CZ ARG A 36 25.755 0.376 2.300 1.00 3.91 C ATOM 331 NH1 ARG A 36 25.653 -0.795 1.749 1.00 4.94 N ATOM 332 NH2 ARG A 36 26.738 0.552 3.124 1.00 4.12 N ATOM 0 H ARG A 36 20.733 -1.728 1.126 1.00 1.73 H new ATOM 0 HA ARG A 36 20.322 0.031 3.319 1.00 1.78 H new ATOM 0 HB2 ARG A 36 21.238 0.302 0.438 1.00 1.96 H new ATOM 0 HB3 ARG A 36 20.987 1.732 1.420 1.00 1.96 H new ATOM 0 HG2 ARG A 36 22.555 0.780 3.163 1.00 2.29 H new ATOM 0 HG3 ARG A 36 22.842 -0.602 2.125 1.00 2.29 H new ATOM 0 HD2 ARG A 36 23.783 0.789 0.372 1.00 2.99 H new ATOM 0 HD3 ARG A 36 23.235 2.260 1.153 1.00 2.99 H new ATOM 0 HE ARG A 36 25.152 2.273 2.418 1.00 3.22 H new ATOM 0 HH11 ARG A 36 24.888 -0.990 1.104 1.00 4.94 H new ATOM 0 HH12 ARG A 36 26.338 -1.520 1.961 1.00 4.94 H new ATOM 0 HH21 ARG A 36 26.854 1.449 3.595 1.00 4.12 H new ATOM 0 HH22 ARG A 36 27.396 -0.207 3.302 1.00 4.12 H new ATOM 346 N CYS A 37 18.192 0.323 0.808 1.00 1.30 N ATOM 347 CA CYS A 37 16.875 0.839 0.412 1.00 1.09 C ATOM 348 C CYS A 37 15.692 -0.022 0.910 1.00 0.84 C ATOM 349 O CYS A 37 14.581 0.100 0.393 1.00 0.69 O ATOM 350 CB CYS A 37 16.873 1.170 -1.092 1.00 1.13 C ATOM 351 SG CYS A 37 17.685 2.762 -1.422 1.00 1.55 S ATOM 0 H CYS A 37 18.633 -0.252 0.090 1.00 1.30 H new ATOM 0 HA CYS A 37 16.699 1.780 0.934 1.00 1.09 H new ATOM 0 HB2 CYS A 37 17.384 0.379 -1.641 1.00 1.13 H new ATOM 0 HB3 CYS A 37 15.847 1.201 -1.458 1.00 1.13 H new ATOM 356 N SER A 38 15.892 -0.843 1.950 1.00 0.92 N ATOM 357 CA SER A 38 14.839 -1.635 2.612 1.00 0.89 C ATOM 358 C SER A 38 13.642 -0.783 3.063 1.00 0.86 C ATOM 359 O SER A 38 12.490 -1.175 2.874 1.00 0.81 O ATOM 360 CB SER A 38 15.436 -2.354 3.825 1.00 1.03 C ATOM 361 OG SER A 38 15.925 -1.414 4.764 1.00 2.22 O ATOM 0 H SER A 38 16.813 -0.980 2.367 1.00 0.92 H new ATOM 0 HA SER A 38 14.465 -2.350 1.880 1.00 0.89 H new ATOM 0 HB2 SER A 38 14.679 -2.984 4.292 1.00 1.03 H new ATOM 0 HB3 SER A 38 16.244 -3.012 3.505 1.00 1.03 H new ATOM 0 HG SER A 38 16.905 -1.408 4.741 1.00 2.22 H new ATOM 367 N THR A 39 13.906 0.430 3.559 1.00 0.99 N ATOM 368 CA THR A 39 12.914 1.421 4.008 1.00 1.08 C ATOM 369 C THR A 39 11.816 1.699 2.980 1.00 1.02 C ATOM 370 O THR A 39 10.658 1.877 3.349 1.00 1.09 O ATOM 371 CB THR A 39 13.634 2.739 4.331 1.00 1.34 C ATOM 372 OG1 THR A 39 14.613 2.491 5.311 1.00 2.79 O ATOM 373 CG2 THR A 39 12.703 3.819 4.876 1.00 1.63 C ATOM 0 H THR A 39 14.863 0.767 3.665 1.00 0.99 H new ATOM 0 HA THR A 39 12.427 1.000 4.888 1.00 1.08 H new ATOM 0 HB THR A 39 14.059 3.102 3.395 1.00 1.34 H new ATOM 0 HG1 THR A 39 15.081 3.325 5.524 1.00 2.79 H new ATOM 0 HG21 THR A 39 13.276 4.723 5.083 1.00 1.63 H new ATOM 0 HG22 THR A 39 11.931 4.040 4.139 1.00 1.63 H new ATOM 0 HG23 THR A 39 12.236 3.467 5.796 1.00 1.63 H new ATOM 381 N TYR A 40 12.140 1.704 1.686 1.00 0.97 N ATOM 382 CA TYR A 40 11.162 1.953 0.625 1.00 0.95 C ATOM 383 C TYR A 40 10.182 0.774 0.498 1.00 0.81 C ATOM 384 O TYR A 40 8.975 0.970 0.370 1.00 0.96 O ATOM 385 CB TYR A 40 11.889 2.180 -0.705 1.00 0.91 C ATOM 386 CG TYR A 40 12.819 3.386 -0.816 1.00 1.19 C ATOM 387 CD1 TYR A 40 14.041 3.428 -0.112 1.00 2.54 C ATOM 388 CD2 TYR A 40 12.516 4.423 -1.723 1.00 1.69 C ATOM 389 CE1 TYR A 40 14.954 4.477 -0.319 1.00 2.86 C ATOM 390 CE2 TYR A 40 13.442 5.460 -1.955 1.00 1.89 C ATOM 391 CZ TYR A 40 14.675 5.482 -1.267 1.00 1.97 C ATOM 392 OH TYR A 40 15.609 6.433 -1.534 1.00 2.45 O ATOM 0 H TYR A 40 13.086 1.536 1.344 1.00 0.97 H new ATOM 0 HA TYR A 40 10.590 2.845 0.881 1.00 0.95 H new ATOM 0 HB2 TYR A 40 12.474 1.286 -0.923 1.00 0.91 H new ATOM 0 HB3 TYR A 40 11.135 2.266 -1.487 1.00 0.91 H new ATOM 0 HD1 TYR A 40 14.278 2.646 0.594 1.00 2.54 H new ATOM 0 HD2 TYR A 40 11.569 4.422 -2.243 1.00 1.69 H new ATOM 0 HE1 TYR A 40 15.871 4.513 0.250 1.00 2.86 H new ATOM 0 HE2 TYR A 40 13.207 6.242 -2.662 1.00 1.89 H new ATOM 0 HH TYR A 40 15.262 7.051 -2.211 1.00 2.45 H new ATOM 402 N PHE A 41 10.687 -0.459 0.605 1.00 0.64 N ATOM 403 CA PHE A 41 9.876 -1.678 0.563 1.00 0.67 C ATOM 404 C PHE A 41 9.023 -1.839 1.825 1.00 0.80 C ATOM 405 O PHE A 41 7.871 -2.251 1.728 1.00 0.97 O ATOM 406 CB PHE A 41 10.783 -2.885 0.291 1.00 0.63 C ATOM 407 CG PHE A 41 11.571 -2.715 -0.996 1.00 2.12 C ATOM 408 CD1 PHE A 41 10.893 -2.722 -2.230 1.00 3.37 C ATOM 409 CD2 PHE A 41 12.951 -2.440 -0.959 1.00 3.60 C ATOM 410 CE1 PHE A 41 11.591 -2.438 -3.416 1.00 5.07 C ATOM 411 CE2 PHE A 41 13.648 -2.154 -2.145 1.00 5.36 C ATOM 412 CZ PHE A 41 12.964 -2.147 -3.373 1.00 5.89 C ATOM 0 H PHE A 41 11.684 -0.640 0.725 1.00 0.64 H new ATOM 0 HA PHE A 41 9.162 -1.606 -0.257 1.00 0.67 H new ATOM 0 HB2 PHE A 41 11.472 -3.018 1.125 1.00 0.63 H new ATOM 0 HB3 PHE A 41 10.177 -3.789 0.231 1.00 0.63 H new ATOM 0 HD1 PHE A 41 9.837 -2.946 -2.265 1.00 3.37 H new ATOM 0 HD2 PHE A 41 13.476 -2.449 -0.015 1.00 3.60 H new ATOM 0 HE1 PHE A 41 11.071 -2.444 -4.362 1.00 5.07 H new ATOM 0 HE2 PHE A 41 14.706 -1.940 -2.113 1.00 5.36 H new ATOM 0 HZ PHE A 41 13.495 -1.917 -4.285 1.00 5.89 H new ATOM 422 N LEU A 42 9.520 -1.397 2.984 1.00 0.80 N ATOM 423 CA LEU A 42 8.722 -1.199 4.200 1.00 0.98 C ATOM 424 C LEU A 42 7.582 -0.199 3.983 1.00 1.15 C ATOM 425 O LEU A 42 6.416 -0.520 4.204 1.00 1.31 O ATOM 426 CB LEU A 42 9.691 -0.818 5.346 1.00 1.02 C ATOM 427 CG LEU A 42 9.111 -0.050 6.552 1.00 1.30 C ATOM 428 CD1 LEU A 42 8.059 -0.851 7.308 1.00 1.50 C ATOM 429 CD2 LEU A 42 10.234 0.301 7.527 1.00 1.35 C ATOM 0 H LEU A 42 10.505 -1.162 3.107 1.00 0.80 H new ATOM 0 HA LEU A 42 8.209 -2.120 4.477 1.00 0.98 H new ATOM 0 HB2 LEU A 42 10.145 -1.736 5.720 1.00 1.02 H new ATOM 0 HB3 LEU A 42 10.494 -0.216 4.920 1.00 1.02 H new ATOM 0 HG LEU A 42 8.636 0.847 6.154 1.00 1.30 H new ATOM 0 HD11 LEU A 42 7.686 -0.262 8.146 1.00 1.50 H new ATOM 0 HD12 LEU A 42 7.234 -1.092 6.638 1.00 1.50 H new ATOM 0 HD13 LEU A 42 8.503 -1.773 7.682 1.00 1.50 H new ATOM 0 HD21 LEU A 42 9.821 0.843 8.378 1.00 1.35 H new ATOM 0 HD22 LEU A 42 10.711 -0.614 7.877 1.00 1.35 H new ATOM 0 HD23 LEU A 42 10.972 0.925 7.023 1.00 1.35 H new ATOM 441 N ARG A 43 7.879 0.986 3.453 1.00 1.18 N ATOM 442 CA ARG A 43 6.856 2.001 3.157 1.00 1.43 C ATOM 443 C ARG A 43 5.860 1.552 2.093 1.00 1.49 C ATOM 444 O ARG A 43 4.705 1.961 2.140 1.00 1.77 O ATOM 445 CB ARG A 43 7.555 3.305 2.777 1.00 1.55 C ATOM 446 CG ARG A 43 8.196 3.901 4.028 1.00 1.72 C ATOM 447 CD ARG A 43 9.027 5.127 3.666 1.00 1.99 C ATOM 448 NE ARG A 43 9.695 5.688 4.848 1.00 3.38 N ATOM 449 CZ ARG A 43 10.637 6.612 4.827 1.00 4.46 C ATOM 450 NH1 ARG A 43 11.091 7.115 3.715 1.00 4.46 N ATOM 451 NH2 ARG A 43 11.167 7.036 5.931 1.00 6.08 N ATOM 0 H ARG A 43 8.828 1.274 3.216 1.00 1.18 H new ATOM 0 HA ARG A 43 6.255 2.158 4.053 1.00 1.43 H new ATOM 0 HB2 ARG A 43 8.313 3.119 2.016 1.00 1.55 H new ATOM 0 HB3 ARG A 43 6.839 4.006 2.349 1.00 1.55 H new ATOM 0 HG2 ARG A 43 7.422 4.177 4.745 1.00 1.72 H new ATOM 0 HG3 ARG A 43 8.827 3.155 4.511 1.00 1.72 H new ATOM 0 HD2 ARG A 43 9.773 4.856 2.919 1.00 1.99 H new ATOM 0 HD3 ARG A 43 8.385 5.884 3.215 1.00 1.99 H new ATOM 0 HE ARG A 43 9.407 5.334 5.760 1.00 3.38 H new ATOM 0 HH11 ARG A 43 10.718 6.796 2.821 1.00 4.46 H new ATOM 0 HH12 ARG A 43 11.820 7.828 3.738 1.00 4.46 H new ATOM 0 HH21 ARG A 43 10.857 6.655 6.825 1.00 6.08 H new ATOM 0 HH22 ARG A 43 11.895 7.750 5.906 1.00 6.08 H new ATOM 465 N TYR A 44 6.267 0.651 1.205 1.00 1.30 N ATOM 466 CA TYR A 44 5.379 0.046 0.199 1.00 1.41 C ATOM 467 C TYR A 44 4.489 -1.043 0.827 1.00 1.49 C ATOM 468 O TYR A 44 3.275 -1.067 0.599 1.00 1.68 O ATOM 469 CB TYR A 44 6.226 -0.436 -0.990 1.00 1.31 C ATOM 470 CG TYR A 44 5.487 -1.183 -2.084 1.00 1.47 C ATOM 471 CD1 TYR A 44 5.160 -2.541 -1.899 1.00 1.72 C ATOM 472 CD2 TYR A 44 5.196 -0.551 -3.311 1.00 2.74 C ATOM 473 CE1 TYR A 44 4.522 -3.260 -2.926 1.00 1.83 C ATOM 474 CE2 TYR A 44 4.583 -1.276 -4.352 1.00 2.91 C ATOM 475 CZ TYR A 44 4.237 -2.632 -4.157 1.00 1.87 C ATOM 476 OH TYR A 44 3.662 -3.359 -5.149 1.00 2.09 O ATOM 0 H TYR A 44 7.228 0.313 1.157 1.00 1.30 H new ATOM 0 HA TYR A 44 4.679 0.787 -0.187 1.00 1.41 H new ATOM 0 HB2 TYR A 44 6.713 0.431 -1.437 1.00 1.31 H new ATOM 0 HB3 TYR A 44 7.015 -1.083 -0.607 1.00 1.31 H new ATOM 0 HD1 TYR A 44 5.400 -3.031 -0.967 1.00 1.72 H new ATOM 0 HD2 TYR A 44 5.444 0.491 -3.453 1.00 2.74 H new ATOM 0 HE1 TYR A 44 4.250 -4.294 -2.772 1.00 1.83 H new ATOM 0 HE2 TYR A 44 4.378 -0.796 -5.298 1.00 2.91 H new ATOM 0 HH TYR A 44 3.526 -2.790 -5.935 1.00 2.09 H new ATOM 486 N LYS A 45 5.054 -1.875 1.713 1.00 1.38 N ATOM 487 CA LYS A 45 4.308 -2.826 2.550 1.00 1.47 C ATOM 488 C LYS A 45 3.332 -2.136 3.511 1.00 1.59 C ATOM 489 O LYS A 45 2.294 -2.713 3.804 1.00 1.70 O ATOM 490 CB LYS A 45 5.278 -3.740 3.316 1.00 1.40 C ATOM 491 CG LYS A 45 5.849 -4.865 2.436 1.00 1.92 C ATOM 492 CD LYS A 45 6.803 -5.769 3.231 1.00 1.87 C ATOM 493 CE LYS A 45 8.169 -5.109 3.452 1.00 3.67 C ATOM 494 NZ LYS A 45 8.891 -5.726 4.588 1.00 4.03 N ATOM 0 H LYS A 45 6.061 -1.907 1.871 1.00 1.38 H new ATOM 0 HA LYS A 45 3.701 -3.433 1.878 1.00 1.47 H new ATOM 0 HB2 LYS A 45 6.098 -3.142 3.713 1.00 1.40 H new ATOM 0 HB3 LYS A 45 4.761 -4.178 4.170 1.00 1.40 H new ATOM 0 HG2 LYS A 45 5.032 -5.462 2.031 1.00 1.92 H new ATOM 0 HG3 LYS A 45 6.378 -4.432 1.587 1.00 1.92 H new ATOM 0 HD2 LYS A 45 6.356 -6.009 4.196 1.00 1.87 H new ATOM 0 HD3 LYS A 45 6.937 -6.711 2.699 1.00 1.87 H new ATOM 0 HE2 LYS A 45 8.769 -5.199 2.546 1.00 3.67 H new ATOM 0 HE3 LYS A 45 8.034 -4.044 3.640 1.00 3.67 H new ATOM 0 HZ1 LYS A 45 9.811 -5.257 4.711 1.00 4.03 H new ATOM 0 HZ2 LYS A 45 8.329 -5.618 5.456 1.00 4.03 H new ATOM 0 HZ3 LYS A 45 9.041 -6.737 4.396 1.00 4.03 H new ATOM 508 N ASN A 46 3.567 -0.889 3.927 1.00 1.61 N ATOM 509 CA ASN A 46 2.602 -0.121 4.728 1.00 1.69 C ATOM 510 C ASN A 46 1.345 0.250 3.920 1.00 1.73 C ATOM 511 O ASN A 46 0.236 0.214 4.463 1.00 1.88 O ATOM 512 CB ASN A 46 3.266 1.153 5.282 1.00 1.70 C ATOM 513 CG ASN A 46 4.407 0.912 6.253 1.00 1.64 C ATOM 514 OD1 ASN A 46 4.541 -0.143 6.860 1.00 1.64 O ATOM 515 ND2 ASN A 46 5.220 1.924 6.452 1.00 1.63 N ATOM 0 H ASN A 46 4.428 -0.382 3.721 1.00 1.61 H new ATOM 0 HA ASN A 46 2.286 -0.757 5.555 1.00 1.69 H new ATOM 0 HB2 ASN A 46 3.640 1.743 4.445 1.00 1.70 H new ATOM 0 HB3 ASN A 46 2.505 1.753 5.781 1.00 1.70 H new ATOM 0 HD21 ASN A 46 5.983 1.841 7.124 1.00 1.63 H new ATOM 0 HD22 ASN A 46 5.089 2.793 5.935 1.00 1.63 H new ATOM 522 N CYS A 47 1.495 0.567 2.629 1.00 1.65 N ATOM 523 CA CYS A 47 0.382 0.769 1.707 1.00 1.64 C ATOM 524 C CYS A 47 -0.404 -0.535 1.524 1.00 1.64 C ATOM 525 O CYS A 47 -1.624 -0.555 1.707 1.00 1.77 O ATOM 526 CB CYS A 47 0.933 1.308 0.373 1.00 1.66 C ATOM 527 SG CYS A 47 2.163 2.633 0.540 1.00 2.45 S ATOM 0 H CYS A 47 2.409 0.691 2.193 1.00 1.65 H new ATOM 0 HA CYS A 47 -0.315 1.502 2.112 1.00 1.64 H new ATOM 0 HB2 CYS A 47 1.381 0.482 -0.179 1.00 1.66 H new ATOM 0 HB3 CYS A 47 0.100 1.677 -0.226 1.00 1.66 H new ATOM 532 N ARG A 48 0.300 -1.647 1.260 1.00 1.59 N ATOM 533 CA ARG A 48 -0.286 -2.987 1.153 1.00 1.58 C ATOM 534 C ARG A 48 -1.016 -3.417 2.423 1.00 1.52 C ATOM 535 O ARG A 48 -2.182 -3.772 2.327 1.00 1.44 O ATOM 536 CB ARG A 48 0.817 -3.983 0.778 1.00 1.76 C ATOM 537 CG ARG A 48 1.339 -3.735 -0.652 1.00 1.80 C ATOM 538 CD ARG A 48 0.980 -4.890 -1.594 1.00 1.94 C ATOM 539 NE ARG A 48 -0.463 -5.210 -1.595 1.00 3.22 N ATOM 540 CZ ARG A 48 -1.436 -4.481 -2.107 1.00 5.00 C ATOM 541 NH1 ARG A 48 -1.235 -3.589 -3.028 1.00 5.47 N ATOM 542 NH2 ARG A 48 -2.654 -4.614 -1.676 1.00 6.86 N ATOM 0 H ARG A 48 1.309 -1.637 1.113 1.00 1.59 H new ATOM 0 HA ARG A 48 -1.045 -2.966 0.371 1.00 1.58 H new ATOM 0 HB2 ARG A 48 1.641 -3.899 1.487 1.00 1.76 H new ATOM 0 HB3 ARG A 48 0.432 -5.000 0.855 1.00 1.76 H new ATOM 0 HG2 ARG A 48 0.918 -2.807 -1.037 1.00 1.80 H new ATOM 0 HG3 ARG A 48 2.421 -3.608 -0.628 1.00 1.80 H new ATOM 0 HD2 ARG A 48 1.290 -4.634 -2.607 1.00 1.94 H new ATOM 0 HD3 ARG A 48 1.543 -5.777 -1.303 1.00 1.94 H new ATOM 0 HE ARG A 48 -0.735 -6.088 -1.153 1.00 3.22 H new ATOM 0 HH11 ARG A 48 -0.293 -3.428 -3.386 1.00 5.47 H new ATOM 0 HH12 ARG A 48 -2.019 -3.049 -3.394 1.00 5.47 H new ATOM 0 HH21 ARG A 48 -2.863 -5.285 -0.937 1.00 6.86 H new ATOM 0 HH22 ARG A 48 -3.401 -4.047 -2.076 1.00 6.86 H new ATOM 556 N ARG A 49 -0.399 -3.329 3.606 1.00 1.55 N ATOM 557 CA ARG A 49 -0.971 -3.787 4.887 1.00 1.47 C ATOM 558 C ARG A 49 -2.295 -3.104 5.213 1.00 1.30 C ATOM 559 O ARG A 49 -3.215 -3.788 5.669 1.00 1.19 O ATOM 560 CB ARG A 49 0.044 -3.600 6.035 1.00 1.59 C ATOM 561 CG ARG A 49 -0.562 -4.049 7.380 1.00 1.58 C ATOM 562 CD ARG A 49 0.410 -4.032 8.563 1.00 1.73 C ATOM 563 NE ARG A 49 1.439 -5.079 8.470 1.00 1.64 N ATOM 564 CZ ARG A 49 1.320 -6.356 8.782 1.00 2.40 C ATOM 565 NH1 ARG A 49 0.178 -6.911 9.063 1.00 3.50 N ATOM 566 NH2 ARG A 49 2.364 -7.128 8.805 1.00 3.53 N ATOM 0 H ARG A 49 0.534 -2.929 3.707 1.00 1.55 H new ATOM 0 HA ARG A 49 -1.185 -4.850 4.779 1.00 1.47 H new ATOM 0 HB2 ARG A 49 0.946 -4.176 5.827 1.00 1.59 H new ATOM 0 HB3 ARG A 49 0.342 -2.553 6.096 1.00 1.59 H new ATOM 0 HG2 ARG A 49 -1.408 -3.403 7.614 1.00 1.58 H new ATOM 0 HG3 ARG A 49 -0.955 -5.059 7.266 1.00 1.58 H new ATOM 0 HD2 ARG A 49 0.894 -3.057 8.616 1.00 1.73 H new ATOM 0 HD3 ARG A 49 -0.150 -4.160 9.489 1.00 1.73 H new ATOM 0 HE ARG A 49 2.352 -4.783 8.124 1.00 1.64 H new ATOM 0 HH11 ARG A 49 -0.677 -6.355 9.048 1.00 3.50 H new ATOM 0 HH12 ARG A 49 0.137 -7.903 9.298 1.00 3.50 H new ATOM 0 HH21 ARG A 49 3.284 -6.749 8.581 1.00 3.53 H new ATOM 0 HH22 ARG A 49 2.264 -8.114 9.047 1.00 3.53 H new ATOM 580 N PHE A 50 -2.418 -1.797 4.959 1.00 1.29 N ATOM 581 CA PHE A 50 -3.691 -1.105 5.161 1.00 1.11 C ATOM 582 C PHE A 50 -4.775 -1.729 4.289 1.00 0.92 C ATOM 583 O PHE A 50 -5.746 -2.289 4.789 1.00 0.72 O ATOM 584 CB PHE A 50 -3.570 0.383 4.833 1.00 1.18 C ATOM 585 CG PHE A 50 -4.872 1.126 5.077 1.00 1.03 C ATOM 586 CD1 PHE A 50 -5.316 1.364 6.393 1.00 2.09 C ATOM 587 CD2 PHE A 50 -5.662 1.546 3.990 1.00 2.10 C ATOM 588 CE1 PHE A 50 -6.525 2.044 6.619 1.00 2.04 C ATOM 589 CE2 PHE A 50 -6.874 2.222 4.215 1.00 2.11 C ATOM 590 CZ PHE A 50 -7.299 2.481 5.531 1.00 0.93 C ATOM 0 H PHE A 50 -1.661 -1.205 4.618 1.00 1.29 H new ATOM 0 HA PHE A 50 -3.962 -1.209 6.212 1.00 1.11 H new ATOM 0 HB2 PHE A 50 -2.781 0.825 5.441 1.00 1.18 H new ATOM 0 HB3 PHE A 50 -3.274 0.502 3.791 1.00 1.18 H new ATOM 0 HD1 PHE A 50 -4.725 1.023 7.230 1.00 2.09 H new ATOM 0 HD2 PHE A 50 -5.336 1.348 2.980 1.00 2.10 H new ATOM 0 HE1 PHE A 50 -6.859 2.231 7.629 1.00 2.04 H new ATOM 0 HE2 PHE A 50 -7.478 2.542 3.379 1.00 2.11 H new ATOM 0 HZ PHE A 50 -8.221 3.016 5.705 1.00 0.93 H new ATOM 600 N TRP A 51 -4.567 -1.703 2.976 1.00 1.01 N ATOM 601 CA TRP A 51 -5.580 -2.161 2.029 1.00 0.91 C ATOM 602 C TRP A 51 -5.846 -3.676 2.115 1.00 0.92 C ATOM 603 O TRP A 51 -6.990 -4.093 1.977 1.00 0.82 O ATOM 604 CB TRP A 51 -5.229 -1.643 0.631 1.00 0.99 C ATOM 605 CG TRP A 51 -5.369 -0.147 0.483 1.00 0.96 C ATOM 606 CD1 TRP A 51 -4.367 0.758 0.356 1.00 1.10 C ATOM 607 CD2 TRP A 51 -6.602 0.643 0.487 1.00 0.82 C ATOM 608 NE1 TRP A 51 -4.897 2.023 0.191 1.00 1.07 N ATOM 609 CE2 TRP A 51 -6.266 2.018 0.302 1.00 0.91 C ATOM 610 CE3 TRP A 51 -7.974 0.339 0.631 1.00 0.69 C ATOM 611 CZ2 TRP A 51 -7.231 3.033 0.247 1.00 0.88 C ATOM 612 CZ3 TRP A 51 -8.952 1.354 0.585 1.00 0.70 C ATOM 613 CH2 TRP A 51 -8.585 2.696 0.392 1.00 0.79 C ATOM 0 H TRP A 51 -3.706 -1.370 2.543 1.00 1.01 H new ATOM 0 HA TRP A 51 -6.546 -1.734 2.298 1.00 0.91 H new ATOM 0 HB2 TRP A 51 -4.204 -1.928 0.395 1.00 0.99 H new ATOM 0 HB3 TRP A 51 -5.872 -2.133 -0.100 1.00 0.99 H new ATOM 0 HD1 TRP A 51 -3.313 0.525 0.380 1.00 1.10 H new ATOM 0 HE1 TRP A 51 -4.340 2.858 0.009 1.00 1.07 H new ATOM 0 HE3 TRP A 51 -8.279 -0.687 0.779 1.00 0.69 H new ATOM 0 HZ2 TRP A 51 -6.936 4.061 0.095 1.00 0.88 H new ATOM 0 HZ3 TRP A 51 -9.995 1.097 0.699 1.00 0.70 H new ATOM 0 HH2 TRP A 51 -9.342 3.465 0.355 1.00 0.79 H new ATOM 624 N ASN A 52 -4.857 -4.495 2.484 1.00 1.06 N ATOM 625 CA ASN A 52 -4.998 -5.914 2.813 1.00 1.10 C ATOM 626 C ASN A 52 -5.803 -6.146 4.114 1.00 0.95 C ATOM 627 O ASN A 52 -6.560 -7.117 4.230 1.00 0.97 O ATOM 628 CB ASN A 52 -3.573 -6.491 2.922 1.00 1.34 C ATOM 629 CG ASN A 52 -2.853 -6.690 1.592 1.00 1.80 C ATOM 630 OD1 ASN A 52 -3.297 -6.298 0.520 1.00 2.47 O ATOM 631 ND2 ASN A 52 -1.702 -7.316 1.612 1.00 1.74 N ATOM 0 H ASN A 52 -3.893 -4.171 2.565 1.00 1.06 H new ATOM 0 HA ASN A 52 -5.567 -6.420 2.033 1.00 1.10 H new ATOM 0 HB2 ASN A 52 -2.975 -5.826 3.545 1.00 1.34 H new ATOM 0 HB3 ASN A 52 -3.624 -7.450 3.437 1.00 1.34 H new ATOM 0 HD21 ASN A 52 -1.190 -7.470 0.743 1.00 1.74 H new ATOM 0 HD22 ASN A 52 -1.318 -7.649 2.496 1.00 1.74 H new ATOM 638 N SER A 53 -5.688 -5.246 5.095 1.00 0.86 N ATOM 639 CA SER A 53 -6.557 -5.238 6.281 1.00 0.73 C ATOM 640 C SER A 53 -7.995 -4.836 5.930 1.00 0.60 C ATOM 641 O SER A 53 -8.927 -5.491 6.388 1.00 0.59 O ATOM 642 CB SER A 53 -6.004 -4.334 7.388 1.00 0.71 C ATOM 643 OG SER A 53 -4.683 -4.727 7.729 1.00 1.42 O ATOM 0 H SER A 53 -4.991 -4.502 5.092 1.00 0.86 H new ATOM 0 HA SER A 53 -6.574 -6.260 6.659 1.00 0.73 H new ATOM 0 HB2 SER A 53 -6.008 -3.296 7.055 1.00 0.71 H new ATOM 0 HB3 SER A 53 -6.646 -4.389 8.267 1.00 0.71 H new ATOM 0 HG SER A 53 -4.048 -4.309 7.111 1.00 1.42 H new ATOM 649 N ILE A 54 -8.192 -3.847 5.047 1.00 0.57 N ATOM 650 CA ILE A 54 -9.516 -3.463 4.530 1.00 0.53 C ATOM 651 C ILE A 54 -10.157 -4.627 3.763 1.00 0.62 C ATOM 652 O ILE A 54 -11.339 -4.906 3.950 1.00 0.66 O ATOM 653 CB ILE A 54 -9.396 -2.195 3.654 1.00 0.55 C ATOM 654 CG1 ILE A 54 -8.887 -0.961 4.434 1.00 0.54 C ATOM 655 CG2 ILE A 54 -10.719 -1.854 2.956 1.00 0.56 C ATOM 656 CD1 ILE A 54 -9.755 -0.514 5.618 1.00 0.48 C ATOM 0 H ILE A 54 -7.430 -3.285 4.667 1.00 0.57 H new ATOM 0 HA ILE A 54 -10.172 -3.229 5.369 1.00 0.53 H new ATOM 0 HB ILE A 54 -8.648 -2.440 2.900 1.00 0.55 H new ATOM 0 HG12 ILE A 54 -7.885 -1.177 4.804 1.00 0.54 H new ATOM 0 HG13 ILE A 54 -8.797 -0.127 3.738 1.00 0.54 H new ATOM 0 HG21 ILE A 54 -10.590 -0.957 2.351 1.00 0.56 H new ATOM 0 HG22 ILE A 54 -11.017 -2.684 2.315 1.00 0.56 H new ATOM 0 HG23 ILE A 54 -11.491 -1.679 3.705 1.00 0.56 H new ATOM 0 HD11 ILE A 54 -9.304 0.358 6.091 1.00 0.48 H new ATOM 0 HD12 ILE A 54 -10.753 -0.258 5.262 1.00 0.48 H new ATOM 0 HD13 ILE A 54 -9.826 -1.324 6.344 1.00 0.48 H new ATOM 668 N VAL A 55 -9.372 -5.362 2.970 1.00 0.73 N ATOM 669 CA VAL A 55 -9.786 -6.606 2.301 1.00 0.86 C ATOM 670 C VAL A 55 -10.273 -7.632 3.320 1.00 0.86 C ATOM 671 O VAL A 55 -11.407 -8.093 3.195 1.00 0.90 O ATOM 672 CB VAL A 55 -8.628 -7.150 1.446 1.00 1.02 C ATOM 673 CG1 VAL A 55 -8.763 -8.610 1.000 1.00 1.19 C ATOM 674 CG2 VAL A 55 -8.473 -6.288 0.195 1.00 1.08 C ATOM 0 H VAL A 55 -8.406 -5.105 2.768 1.00 0.73 H new ATOM 0 HA VAL A 55 -10.624 -6.394 1.637 1.00 0.86 H new ATOM 0 HB VAL A 55 -7.757 -7.109 2.100 1.00 1.02 H new ATOM 0 HG11 VAL A 55 -7.894 -8.890 0.404 1.00 1.19 H new ATOM 0 HG12 VAL A 55 -8.825 -9.254 1.877 1.00 1.19 H new ATOM 0 HG13 VAL A 55 -9.666 -8.725 0.401 1.00 1.19 H new ATOM 0 HG21 VAL A 55 -7.653 -6.672 -0.412 1.00 1.08 H new ATOM 0 HG22 VAL A 55 -9.397 -6.316 -0.383 1.00 1.08 H new ATOM 0 HG23 VAL A 55 -8.259 -5.260 0.486 1.00 1.08 H new ATOM 684 N MET A 56 -9.498 -7.936 4.370 1.00 0.86 N ATOM 685 CA MET A 56 -9.974 -8.852 5.426 1.00 0.87 C ATOM 686 C MET A 56 -11.246 -8.352 6.132 1.00 0.84 C ATOM 687 O MET A 56 -12.140 -9.144 6.433 1.00 0.94 O ATOM 688 CB MET A 56 -8.871 -9.114 6.458 1.00 0.84 C ATOM 689 CG MET A 56 -7.740 -9.987 5.902 1.00 0.98 C ATOM 690 SD MET A 56 -8.201 -11.620 5.246 1.00 1.60 S ATOM 691 CE MET A 56 -8.753 -12.449 6.761 1.00 2.13 C ATOM 0 H MET A 56 -8.556 -7.572 4.514 1.00 0.86 H new ATOM 0 HA MET A 56 -10.233 -9.784 4.924 1.00 0.87 H new ATOM 0 HB2 MET A 56 -8.459 -8.162 6.794 1.00 0.84 H new ATOM 0 HB3 MET A 56 -9.304 -9.600 7.332 1.00 0.84 H new ATOM 0 HG2 MET A 56 -7.243 -9.431 5.107 1.00 0.98 H new ATOM 0 HG3 MET A 56 -7.006 -10.135 6.694 1.00 0.98 H new ATOM 0 HE1 MET A 56 -9.036 -13.476 6.531 1.00 2.13 H new ATOM 0 HE2 MET A 56 -7.943 -12.450 7.491 1.00 2.13 H new ATOM 0 HE3 MET A 56 -9.612 -11.920 7.173 1.00 2.13 H new ATOM 701 N GLN A 57 -11.380 -7.045 6.349 1.00 0.74 N ATOM 702 CA GLN A 57 -12.549 -6.442 6.997 1.00 0.76 C ATOM 703 C GLN A 57 -13.782 -6.359 6.084 1.00 0.84 C ATOM 704 O GLN A 57 -14.902 -6.396 6.585 1.00 0.97 O ATOM 705 CB GLN A 57 -12.169 -5.065 7.559 1.00 0.68 C ATOM 706 CG GLN A 57 -11.249 -5.152 8.789 1.00 0.67 C ATOM 707 CD GLN A 57 -11.932 -5.838 9.970 1.00 0.93 C ATOM 708 OE1 GLN A 57 -12.971 -5.407 10.447 1.00 1.66 O ATOM 709 NE2 GLN A 57 -11.427 -6.959 10.448 1.00 1.24 N ATOM 0 H GLN A 57 -10.671 -6.364 6.077 1.00 0.74 H new ATOM 0 HA GLN A 57 -12.844 -7.100 7.814 1.00 0.76 H new ATOM 0 HB2 GLN A 57 -11.673 -4.485 6.781 1.00 0.68 H new ATOM 0 HB3 GLN A 57 -13.077 -4.525 7.828 1.00 0.68 H new ATOM 0 HG2 GLN A 57 -10.344 -5.700 8.526 1.00 0.67 H new ATOM 0 HG3 GLN A 57 -10.941 -4.148 9.082 1.00 0.67 H new ATOM 0 HE21 GLN A 57 -10.560 -7.333 10.062 1.00 1.24 H new ATOM 0 HE22 GLN A 57 -11.903 -7.451 11.204 1.00 1.24 H new ATOM 718 N ARG A 58 -13.628 -6.315 4.756 1.00 0.85 N ATOM 719 CA ARG A 58 -14.733 -6.471 3.786 1.00 0.96 C ATOM 720 C ARG A 58 -15.108 -7.937 3.567 1.00 1.02 C ATOM 721 O ARG A 58 -16.282 -8.272 3.389 1.00 1.10 O ATOM 722 CB ARG A 58 -14.344 -5.799 2.460 1.00 1.04 C ATOM 723 CG ARG A 58 -14.787 -4.337 2.334 1.00 1.09 C ATOM 724 CD ARG A 58 -14.354 -3.386 3.456 1.00 1.48 C ATOM 725 NE ARG A 58 -15.052 -2.095 3.325 1.00 1.68 N ATOM 726 CZ ARG A 58 -15.056 -1.103 4.197 1.00 2.50 C ATOM 727 NH1 ARG A 58 -14.330 -1.088 5.277 1.00 3.54 N ATOM 728 NH2 ARG A 58 -15.799 -0.061 3.984 1.00 2.68 N ATOM 0 H ARG A 58 -12.722 -6.168 4.312 1.00 0.85 H new ATOM 0 HA ARG A 58 -15.618 -5.984 4.196 1.00 0.96 H new ATOM 0 HB2 ARG A 58 -13.261 -5.848 2.346 1.00 1.04 H new ATOM 0 HB3 ARG A 58 -14.777 -6.369 1.638 1.00 1.04 H new ATOM 0 HG2 ARG A 58 -14.405 -3.946 1.391 1.00 1.09 H new ATOM 0 HG3 ARG A 58 -15.875 -4.316 2.271 1.00 1.09 H new ATOM 0 HD2 ARG A 58 -14.576 -3.831 4.426 1.00 1.48 H new ATOM 0 HD3 ARG A 58 -13.276 -3.231 3.416 1.00 1.48 H new ATOM 0 HE ARG A 58 -15.589 -1.952 2.470 1.00 1.68 H new ATOM 0 HH11 ARG A 58 -13.714 -1.873 5.488 1.00 3.54 H new ATOM 0 HH12 ARG A 58 -14.377 -0.291 5.912 1.00 3.54 H new ATOM 0 HH21 ARG A 58 -16.377 -0.010 3.145 1.00 2.68 H new ATOM 0 HH22 ARG A 58 -15.805 0.707 4.655 1.00 2.68 H new ATOM 742 N ARG A 59 -14.120 -8.824 3.657 1.00 1.01 N ATOM 743 CA ARG A 59 -14.259 -10.289 3.566 1.00 1.04 C ATOM 744 C ARG A 59 -15.114 -10.899 4.682 1.00 1.08 C ATOM 745 O ARG A 59 -15.646 -11.990 4.478 1.00 1.19 O ATOM 746 CB ARG A 59 -12.851 -10.897 3.433 1.00 1.03 C ATOM 747 CG ARG A 59 -12.790 -12.429 3.407 1.00 1.24 C ATOM 748 CD ARG A 59 -11.401 -12.908 2.963 1.00 1.50 C ATOM 749 NE ARG A 59 -11.102 -14.263 3.463 1.00 2.20 N ATOM 750 CZ ARG A 59 -10.036 -14.987 3.171 1.00 2.82 C ATOM 751 NH1 ARG A 59 -9.164 -14.621 2.274 1.00 2.73 N ATOM 752 NH2 ARG A 59 -9.810 -16.108 3.786 1.00 3.74 N ATOM 0 H ARG A 59 -13.153 -8.535 3.802 1.00 1.01 H new ATOM 0 HA ARG A 59 -14.831 -10.543 2.674 1.00 1.04 H new ATOM 0 HB2 ARG A 59 -12.396 -10.518 2.518 1.00 1.03 H new ATOM 0 HB3 ARG A 59 -12.241 -10.541 4.263 1.00 1.03 H new ATOM 0 HG2 ARG A 59 -13.017 -12.824 4.397 1.00 1.24 H new ATOM 0 HG3 ARG A 59 -13.549 -12.817 2.727 1.00 1.24 H new ATOM 0 HD2 ARG A 59 -11.345 -12.902 1.874 1.00 1.50 H new ATOM 0 HD3 ARG A 59 -10.644 -12.212 3.325 1.00 1.50 H new ATOM 0 HE ARG A 59 -11.784 -14.682 4.095 1.00 2.20 H new ATOM 0 HH11 ARG A 59 -9.291 -13.745 1.767 1.00 2.73 H new ATOM 0 HH12 ARG A 59 -8.355 -15.210 2.079 1.00 2.73 H new ATOM 0 HH21 ARG A 59 -10.458 -16.437 4.502 1.00 3.74 H new ATOM 0 HH22 ARG A 59 -8.984 -16.660 3.553 1.00 3.74 H new ATOM 766 N LYS A 60 -15.378 -10.170 5.777 1.00 1.10 N ATOM 767 CA LYS A 60 -16.339 -10.566 6.831 1.00 1.27 C ATOM 768 C LYS A 60 -17.738 -10.914 6.302 1.00 1.42 C ATOM 769 O LYS A 60 -18.393 -11.803 6.839 1.00 1.56 O ATOM 770 CB LYS A 60 -16.394 -9.487 7.933 1.00 1.44 C ATOM 771 CG LYS A 60 -17.268 -8.262 7.619 1.00 1.56 C ATOM 772 CD LYS A 60 -17.137 -7.198 8.720 1.00 1.82 C ATOM 773 CE LYS A 60 -17.900 -5.916 8.361 1.00 2.08 C ATOM 774 NZ LYS A 60 -19.302 -5.935 8.838 1.00 3.50 N ATOM 0 H LYS A 60 -14.926 -9.275 5.963 1.00 1.10 H new ATOM 0 HA LYS A 60 -15.965 -11.495 7.261 1.00 1.27 H new ATOM 0 HB2 LYS A 60 -16.761 -9.948 8.850 1.00 1.44 H new ATOM 0 HB3 LYS A 60 -15.379 -9.145 8.133 1.00 1.44 H new ATOM 0 HG2 LYS A 60 -16.974 -7.836 6.660 1.00 1.56 H new ATOM 0 HG3 LYS A 60 -18.310 -8.568 7.526 1.00 1.56 H new ATOM 0 HD2 LYS A 60 -17.518 -7.598 9.660 1.00 1.82 H new ATOM 0 HD3 LYS A 60 -16.084 -6.964 8.877 1.00 1.82 H new ATOM 0 HE2 LYS A 60 -17.385 -5.058 8.793 1.00 2.08 H new ATOM 0 HE3 LYS A 60 -17.890 -5.782 7.279 1.00 2.08 H new ATOM 0 HZ1 LYS A 60 -19.772 -5.047 8.570 1.00 3.50 H new ATOM 0 HZ2 LYS A 60 -19.805 -6.737 8.407 1.00 3.50 H new ATOM 0 HZ3 LYS A 60 -19.315 -6.035 9.873 1.00 3.50 H new ATOM 788 N ASN A 61 -18.176 -10.260 5.219 1.00 1.48 N ATOM 789 CA ASN A 61 -19.484 -10.486 4.599 1.00 1.68 C ATOM 790 C ASN A 61 -19.504 -11.748 3.706 1.00 1.51 C ATOM 791 O ASN A 61 -20.567 -12.299 3.439 1.00 1.61 O ATOM 792 CB ASN A 61 -19.888 -9.249 3.776 1.00 2.28 C ATOM 793 CG ASN A 61 -19.821 -7.922 4.506 1.00 2.95 C ATOM 794 OD1 ASN A 61 -20.798 -7.401 5.017 1.00 3.40 O ATOM 795 ND2 ASN A 61 -18.664 -7.312 4.537 1.00 3.32 N ATOM 0 H ASN A 61 -17.622 -9.548 4.743 1.00 1.48 H new ATOM 0 HA ASN A 61 -20.203 -10.651 5.401 1.00 1.68 H new ATOM 0 HB2 ASN A 61 -19.243 -9.193 2.899 1.00 2.28 H new ATOM 0 HB3 ASN A 61 -20.906 -9.393 3.415 1.00 2.28 H new ATOM 0 HD21 ASN A 61 -18.580 -6.401 4.988 1.00 3.32 H new ATOM 0 HD22 ASN A 61 -17.846 -7.747 4.110 1.00 3.32 H new ATOM 802 N GLY A 62 -18.341 -12.181 3.194 1.00 1.40 N ATOM 803 CA GLY A 62 -18.170 -13.416 2.409 1.00 1.48 C ATOM 804 C GLY A 62 -18.779 -13.411 0.998 1.00 1.85 C ATOM 805 O GLY A 62 -18.983 -14.477 0.425 1.00 2.03 O ATOM 0 H GLY A 62 -17.468 -11.668 3.318 1.00 1.40 H new ATOM 0 HA2 GLY A 62 -17.103 -13.622 2.321 1.00 1.48 H new ATOM 0 HA3 GLY A 62 -18.609 -14.242 2.969 1.00 1.48 H new ATOM 809 N VAL A 63 -19.146 -12.239 0.462 1.00 2.02 N ATOM 810 CA VAL A 63 -20.151 -12.124 -0.616 1.00 2.43 C ATOM 811 C VAL A 63 -19.965 -10.931 -1.582 1.00 2.10 C ATOM 812 O VAL A 63 -20.543 -10.923 -2.670 1.00 2.20 O ATOM 813 CB VAL A 63 -21.527 -12.074 0.081 1.00 2.83 C ATOM 814 CG1 VAL A 63 -21.722 -10.777 0.874 1.00 2.63 C ATOM 815 CG2 VAL A 63 -22.690 -12.255 -0.883 1.00 3.44 C ATOM 0 H VAL A 63 -18.759 -11.343 0.759 1.00 2.02 H new ATOM 0 HA VAL A 63 -20.043 -12.985 -1.275 1.00 2.43 H new ATOM 0 HB VAL A 63 -21.527 -12.918 0.771 1.00 2.83 H new ATOM 0 HG11 VAL A 63 -22.704 -10.784 1.348 1.00 2.63 H new ATOM 0 HG12 VAL A 63 -20.950 -10.699 1.639 1.00 2.63 H new ATOM 0 HG13 VAL A 63 -21.651 -9.924 0.199 1.00 2.63 H new ATOM 0 HG21 VAL A 63 -23.630 -12.210 -0.332 1.00 3.44 H new ATOM 0 HG22 VAL A 63 -22.670 -11.462 -1.631 1.00 3.44 H new ATOM 0 HG23 VAL A 63 -22.605 -13.223 -1.378 1.00 3.44 H new ATOM 825 N LYS A 64 -19.163 -9.926 -1.209 1.00 1.86 N ATOM 826 CA LYS A 64 -18.842 -8.711 -1.991 1.00 1.69 C ATOM 827 C LYS A 64 -17.429 -8.770 -2.600 1.00 1.58 C ATOM 828 O LYS A 64 -16.629 -9.601 -2.170 1.00 1.59 O ATOM 829 CB LYS A 64 -19.018 -7.469 -1.086 1.00 1.65 C ATOM 830 CG LYS A 64 -18.184 -7.500 0.209 1.00 1.60 C ATOM 831 CD LYS A 64 -17.799 -6.111 0.742 1.00 1.61 C ATOM 832 CE LYS A 64 -19.007 -5.174 0.906 1.00 1.76 C ATOM 833 NZ LYS A 64 -18.670 -3.912 1.615 1.00 2.02 N ATOM 0 H LYS A 64 -18.691 -9.933 -0.305 1.00 1.86 H new ATOM 0 HA LYS A 64 -19.531 -8.645 -2.833 1.00 1.69 H new ATOM 0 HB2 LYS A 64 -18.749 -6.579 -1.655 1.00 1.65 H new ATOM 0 HB3 LYS A 64 -20.071 -7.373 -0.823 1.00 1.65 H new ATOM 0 HG2 LYS A 64 -18.747 -8.029 0.978 1.00 1.60 H new ATOM 0 HG3 LYS A 64 -17.274 -8.073 0.029 1.00 1.60 H new ATOM 0 HD2 LYS A 64 -17.300 -6.223 1.704 1.00 1.61 H new ATOM 0 HD3 LYS A 64 -17.081 -5.653 0.062 1.00 1.61 H new ATOM 0 HE2 LYS A 64 -19.411 -4.935 -0.078 1.00 1.76 H new ATOM 0 HE3 LYS A 64 -19.792 -5.694 1.455 1.00 1.76 H new ATOM 0 HZ1 LYS A 64 -19.514 -3.306 1.666 1.00 2.02 H new ATOM 0 HZ2 LYS A 64 -18.342 -4.131 2.577 1.00 2.02 H new ATOM 0 HZ3 LYS A 64 -17.917 -3.414 1.098 1.00 2.02 H new ATOM 847 N PRO A 65 -17.059 -7.859 -3.520 1.00 1.52 N ATOM 848 CA PRO A 65 -15.651 -7.545 -3.753 1.00 1.40 C ATOM 849 C PRO A 65 -15.001 -7.010 -2.465 1.00 1.18 C ATOM 850 O PRO A 65 -15.449 -6.029 -1.864 1.00 1.13 O ATOM 851 CB PRO A 65 -15.645 -6.517 -4.887 1.00 1.47 C ATOM 852 CG PRO A 65 -16.993 -5.821 -4.726 1.00 1.49 C ATOM 853 CD PRO A 65 -17.906 -6.971 -4.308 1.00 1.59 C ATOM 0 HA PRO A 65 -15.066 -8.421 -4.031 1.00 1.40 H new ATOM 0 HB2 PRO A 65 -14.815 -5.817 -4.792 1.00 1.47 H new ATOM 0 HB3 PRO A 65 -15.551 -6.993 -5.863 1.00 1.47 H new ATOM 0 HG2 PRO A 65 -16.957 -5.035 -3.971 1.00 1.49 H new ATOM 0 HG3 PRO A 65 -17.324 -5.356 -5.655 1.00 1.49 H new ATOM 0 HD2 PRO A 65 -18.752 -6.610 -3.723 1.00 1.59 H new ATOM 0 HD3 PRO A 65 -18.316 -7.485 -5.177 1.00 1.59 H new ATOM 861 N PHE A 66 -13.946 -7.689 -2.023 1.00 1.17 N ATOM 862 CA PHE A 66 -13.181 -7.385 -0.815 1.00 1.05 C ATOM 863 C PHE A 66 -12.171 -6.270 -1.062 1.00 0.96 C ATOM 864 O PHE A 66 -12.090 -5.328 -0.277 1.00 0.87 O ATOM 865 CB PHE A 66 -12.460 -8.645 -0.325 1.00 1.12 C ATOM 866 CG PHE A 66 -13.292 -9.903 -0.148 1.00 1.25 C ATOM 867 CD1 PHE A 66 -14.667 -9.851 0.146 1.00 1.53 C ATOM 868 CD2 PHE A 66 -12.664 -11.151 -0.294 1.00 2.81 C ATOM 869 CE1 PHE A 66 -15.413 -11.038 0.264 1.00 1.54 C ATOM 870 CE2 PHE A 66 -13.405 -12.340 -0.157 1.00 2.96 C ATOM 871 CZ PHE A 66 -14.782 -12.284 0.119 1.00 1.59 C ATOM 0 H PHE A 66 -13.584 -8.503 -2.519 1.00 1.17 H new ATOM 0 HA PHE A 66 -13.878 -7.043 -0.050 1.00 1.05 H new ATOM 0 HB2 PHE A 66 -11.657 -8.868 -1.028 1.00 1.12 H new ATOM 0 HB3 PHE A 66 -11.991 -8.414 0.632 1.00 1.12 H new ATOM 0 HD1 PHE A 66 -15.152 -8.896 0.282 1.00 1.53 H new ATOM 0 HD2 PHE A 66 -11.607 -11.199 -0.512 1.00 2.81 H new ATOM 0 HE1 PHE A 66 -16.473 -10.991 0.466 1.00 1.54 H new ATOM 0 HE2 PHE A 66 -12.915 -13.296 -0.264 1.00 2.96 H new ATOM 0 HZ PHE A 66 -15.352 -13.196 0.219 1.00 1.59 H new ATOM 881 N MET A 67 -11.451 -6.357 -2.184 1.00 1.02 N ATOM 882 CA MET A 67 -10.733 -5.226 -2.776 1.00 0.95 C ATOM 883 C MET A 67 -11.741 -4.104 -3.107 1.00 0.89 C ATOM 884 O MET A 67 -12.570 -4.277 -4.008 1.00 0.99 O ATOM 885 CB MET A 67 -9.956 -5.681 -4.026 1.00 1.08 C ATOM 886 CG MET A 67 -8.590 -6.284 -3.669 1.00 1.16 C ATOM 887 SD MET A 67 -7.416 -5.082 -2.972 1.00 1.14 S ATOM 888 CE MET A 67 -6.022 -6.166 -2.551 1.00 1.31 C ATOM 0 H MET A 67 -11.350 -7.224 -2.712 1.00 1.02 H new ATOM 0 HA MET A 67 -10.003 -4.836 -2.066 1.00 0.95 H new ATOM 0 HB2 MET A 67 -10.546 -6.418 -4.571 1.00 1.08 H new ATOM 0 HB3 MET A 67 -9.813 -4.831 -4.693 1.00 1.08 H new ATOM 0 HG2 MET A 67 -8.736 -7.092 -2.953 1.00 1.16 H new ATOM 0 HG3 MET A 67 -8.154 -6.727 -4.564 1.00 1.16 H new ATOM 0 HE1 MET A 67 -5.500 -5.767 -1.681 1.00 1.31 H new ATOM 0 HE2 MET A 67 -6.394 -7.165 -2.324 1.00 1.31 H new ATOM 0 HE3 MET A 67 -5.334 -6.218 -3.395 1.00 1.31 H new ATOM 898 N PRO A 68 -11.723 -2.970 -2.382 1.00 0.76 N ATOM 899 CA PRO A 68 -12.838 -2.022 -2.341 1.00 0.79 C ATOM 900 C PRO A 68 -13.058 -1.256 -3.653 1.00 0.88 C ATOM 901 O PRO A 68 -12.111 -0.896 -4.356 1.00 0.90 O ATOM 902 CB PRO A 68 -12.534 -1.086 -1.166 1.00 0.73 C ATOM 903 CG PRO A 68 -11.016 -1.160 -1.025 1.00 0.62 C ATOM 904 CD PRO A 68 -10.716 -2.602 -1.399 1.00 0.69 C ATOM 0 HA PRO A 68 -13.779 -2.555 -2.207 1.00 0.79 H new ATOM 0 HB2 PRO A 68 -12.868 -0.068 -1.368 1.00 0.73 H new ATOM 0 HB3 PRO A 68 -13.037 -1.411 -0.255 1.00 0.73 H new ATOM 0 HG2 PRO A 68 -10.513 -0.457 -1.688 1.00 0.62 H new ATOM 0 HG3 PRO A 68 -10.692 -0.929 -0.010 1.00 0.62 H new ATOM 0 HD2 PRO A 68 -9.712 -2.699 -1.812 1.00 0.69 H new ATOM 0 HD3 PRO A 68 -10.766 -3.252 -0.525 1.00 0.69 H new ATOM 912 N THR A 69 -14.324 -0.966 -3.953 1.00 1.08 N ATOM 913 CA THR A 69 -14.786 -0.126 -5.065 1.00 1.27 C ATOM 914 C THR A 69 -14.587 1.363 -4.777 1.00 1.38 C ATOM 915 O THR A 69 -14.233 1.745 -3.664 1.00 1.26 O ATOM 916 CB THR A 69 -16.276 -0.398 -5.336 1.00 1.53 C ATOM 917 OG1 THR A 69 -16.996 -0.154 -4.148 1.00 1.74 O ATOM 918 CG2 THR A 69 -16.534 -1.845 -5.756 1.00 1.49 C ATOM 0 H THR A 69 -15.099 -1.329 -3.398 1.00 1.08 H new ATOM 0 HA THR A 69 -14.190 -0.382 -5.941 1.00 1.27 H new ATOM 0 HB THR A 69 -16.592 0.255 -6.150 1.00 1.53 H new ATOM 0 HG1 THR A 69 -17.949 -0.321 -4.303 1.00 1.74 H new ATOM 0 HG21 THR A 69 -17.600 -1.987 -5.936 1.00 1.49 H new ATOM 0 HG22 THR A 69 -15.980 -2.063 -6.669 1.00 1.49 H new ATOM 0 HG23 THR A 69 -16.207 -2.518 -4.963 1.00 1.49 H new ATOM 926 N ALA A 70 -14.825 2.227 -5.764 1.00 1.70 N ATOM 927 CA ALA A 70 -14.589 3.670 -5.654 1.00 2.01 C ATOM 928 C ALA A 70 -15.248 4.309 -4.411 1.00 2.17 C ATOM 929 O ALA A 70 -14.556 4.963 -3.623 1.00 2.22 O ATOM 930 CB ALA A 70 -15.055 4.345 -6.950 1.00 2.47 C ATOM 0 H ALA A 70 -15.191 1.943 -6.673 1.00 1.70 H new ATOM 0 HA ALA A 70 -13.519 3.827 -5.515 1.00 2.01 H new ATOM 0 HB1 ALA A 70 -14.885 5.420 -6.882 1.00 2.47 H new ATOM 0 HB2 ALA A 70 -14.493 3.942 -7.793 1.00 2.47 H new ATOM 0 HB3 ALA A 70 -16.118 4.154 -7.098 1.00 2.47 H new ATOM 936 N ALA A 71 -16.546 4.069 -4.189 1.00 2.30 N ATOM 937 CA ALA A 71 -17.274 4.595 -3.031 1.00 2.52 C ATOM 938 C ALA A 71 -16.770 4.037 -1.683 1.00 2.22 C ATOM 939 O ALA A 71 -16.730 4.775 -0.695 1.00 2.26 O ATOM 940 CB ALA A 71 -18.766 4.301 -3.229 1.00 2.87 C ATOM 0 H ALA A 71 -17.122 3.502 -4.811 1.00 2.30 H new ATOM 0 HA ALA A 71 -17.098 5.669 -2.977 1.00 2.52 H new ATOM 0 HB1 ALA A 71 -19.328 4.684 -2.378 1.00 2.87 H new ATOM 0 HB2 ALA A 71 -19.114 4.785 -4.141 1.00 2.87 H new ATOM 0 HB3 ALA A 71 -18.917 3.224 -3.309 1.00 2.87 H new ATOM 946 N GLU A 72 -16.335 2.770 -1.649 1.00 1.93 N ATOM 947 CA GLU A 72 -15.747 2.117 -0.481 1.00 1.70 C ATOM 948 C GLU A 72 -14.376 2.729 -0.181 1.00 1.46 C ATOM 949 O GLU A 72 -14.173 3.246 0.915 1.00 1.48 O ATOM 950 CB GLU A 72 -15.657 0.598 -0.716 1.00 1.54 C ATOM 951 CG GLU A 72 -16.998 -0.136 -0.570 1.00 2.04 C ATOM 952 CD GLU A 72 -17.111 -0.827 0.795 1.00 2.66 C ATOM 953 OE1 GLU A 72 -17.523 -0.160 1.778 1.00 3.13 O ATOM 954 OE2 GLU A 72 -16.755 -2.027 0.902 1.00 3.51 O ATOM 0 H GLU A 72 -16.386 2.156 -2.462 1.00 1.93 H new ATOM 0 HA GLU A 72 -16.383 2.278 0.390 1.00 1.70 H new ATOM 0 HB2 GLU A 72 -15.263 0.418 -1.716 1.00 1.54 H new ATOM 0 HB3 GLU A 72 -14.943 0.173 -0.011 1.00 1.54 H new ATOM 0 HG2 GLU A 72 -17.818 0.573 -0.690 1.00 2.04 H new ATOM 0 HG3 GLU A 72 -17.098 -0.876 -1.364 1.00 2.04 H new ATOM 961 N ARG A 73 -13.458 2.759 -1.161 1.00 1.33 N ATOM 962 CA ARG A 73 -12.136 3.404 -1.026 1.00 1.26 C ATOM 963 C ARG A 73 -12.254 4.831 -0.491 1.00 1.53 C ATOM 964 O ARG A 73 -11.490 5.217 0.391 1.00 1.47 O ATOM 965 CB ARG A 73 -11.426 3.478 -2.387 1.00 1.29 C ATOM 966 CG ARG A 73 -11.000 2.134 -2.991 1.00 1.77 C ATOM 967 CD ARG A 73 -10.529 2.299 -4.446 1.00 2.07 C ATOM 968 NE ARG A 73 -9.210 2.951 -4.528 1.00 2.07 N ATOM 969 CZ ARG A 73 -8.934 4.243 -4.555 1.00 3.23 C ATOM 970 NH1 ARG A 73 -9.833 5.183 -4.617 1.00 4.66 N ATOM 971 NH2 ARG A 73 -7.706 4.646 -4.489 1.00 3.76 N ATOM 0 H ARG A 73 -13.611 2.335 -2.076 1.00 1.33 H new ATOM 0 HA ARG A 73 -11.566 2.795 -0.325 1.00 1.26 H new ATOM 0 HB2 ARG A 73 -12.087 3.979 -3.094 1.00 1.29 H new ATOM 0 HB3 ARG A 73 -10.540 4.104 -2.280 1.00 1.29 H new ATOM 0 HG2 ARG A 73 -10.197 1.703 -2.393 1.00 1.77 H new ATOM 0 HG3 ARG A 73 -11.836 1.435 -2.954 1.00 1.77 H new ATOM 0 HD2 ARG A 73 -10.480 1.321 -4.925 1.00 2.07 H new ATOM 0 HD3 ARG A 73 -11.260 2.889 -4.999 1.00 2.07 H new ATOM 0 HE ARG A 73 -8.406 2.324 -4.569 1.00 2.07 H new ATOM 0 HH11 ARG A 73 -10.823 4.940 -4.648 1.00 4.66 H new ATOM 0 HH12 ARG A 73 -9.547 6.162 -4.634 1.00 4.66 H new ATOM 0 HH21 ARG A 73 -6.949 3.966 -4.416 1.00 3.76 H new ATOM 0 HH22 ARG A 73 -7.495 5.644 -4.510 1.00 3.76 H new ATOM 985 N ASP A 74 -13.226 5.580 -1.005 1.00 1.81 N ATOM 986 CA ASP A 74 -13.505 6.949 -0.588 1.00 2.07 C ATOM 987 C ASP A 74 -13.984 7.035 0.867 1.00 2.10 C ATOM 988 O ASP A 74 -13.377 7.761 1.651 1.00 2.15 O ATOM 989 CB ASP A 74 -14.529 7.532 -1.561 1.00 2.32 C ATOM 990 CG ASP A 74 -14.882 8.986 -1.261 1.00 2.62 C ATOM 991 OD1 ASP A 74 -14.008 9.871 -1.435 1.00 2.11 O ATOM 992 OD2 ASP A 74 -16.070 9.230 -0.922 1.00 4.09 O ATOM 0 H ASP A 74 -13.853 5.245 -1.737 1.00 1.81 H new ATOM 0 HA ASP A 74 -12.585 7.532 -0.618 1.00 2.07 H new ATOM 0 HB2 ASP A 74 -14.138 7.462 -2.576 1.00 2.32 H new ATOM 0 HB3 ASP A 74 -15.437 6.930 -1.527 1.00 2.32 H new ATOM 997 N GLU A 75 -15.017 6.281 1.271 1.00 2.10 N ATOM 998 CA GLU A 75 -15.492 6.308 2.666 1.00 2.18 C ATOM 999 C GLU A 75 -14.445 5.774 3.663 1.00 1.87 C ATOM 1000 O GLU A 75 -14.409 6.206 4.816 1.00 1.92 O ATOM 1001 CB GLU A 75 -16.866 5.624 2.818 1.00 2.35 C ATOM 1002 CG GLU A 75 -16.872 4.088 2.754 1.00 2.17 C ATOM 1003 CD GLU A 75 -18.252 3.478 3.048 1.00 2.45 C ATOM 1004 OE1 GLU A 75 -19.224 3.741 2.304 1.00 2.60 O ATOM 1005 OE2 GLU A 75 -18.388 2.663 3.993 1.00 3.50 O ATOM 0 H GLU A 75 -15.536 5.650 0.660 1.00 2.10 H new ATOM 0 HA GLU A 75 -15.636 7.357 2.927 1.00 2.18 H new ATOM 0 HB2 GLU A 75 -17.296 5.929 3.772 1.00 2.35 H new ATOM 0 HB3 GLU A 75 -17.525 6.002 2.036 1.00 2.35 H new ATOM 0 HG2 GLU A 75 -16.544 3.770 1.764 1.00 2.17 H new ATOM 0 HG3 GLU A 75 -16.149 3.698 3.470 1.00 2.17 H new ATOM 1012 N ILE A 76 -13.557 4.881 3.221 1.00 1.56 N ATOM 1013 CA ILE A 76 -12.432 4.345 3.998 1.00 1.21 C ATOM 1014 C ILE A 76 -11.347 5.414 4.213 1.00 1.26 C ATOM 1015 O ILE A 76 -10.959 5.678 5.353 1.00 1.27 O ATOM 1016 CB ILE A 76 -11.914 3.072 3.285 1.00 0.86 C ATOM 1017 CG1 ILE A 76 -12.901 1.897 3.493 1.00 1.04 C ATOM 1018 CG2 ILE A 76 -10.517 2.662 3.772 1.00 0.52 C ATOM 1019 CD1 ILE A 76 -12.882 0.852 2.365 1.00 0.90 C ATOM 0 H ILE A 76 -13.601 4.496 2.278 1.00 1.56 H new ATOM 0 HA ILE A 76 -12.755 4.065 5.001 1.00 1.21 H new ATOM 0 HB ILE A 76 -11.842 3.309 2.224 1.00 0.86 H new ATOM 0 HG12 ILE A 76 -12.666 1.402 4.436 1.00 1.04 H new ATOM 0 HG13 ILE A 76 -13.911 2.297 3.586 1.00 1.04 H new ATOM 0 HG21 ILE A 76 -10.196 1.764 3.243 1.00 0.52 H new ATOM 0 HG22 ILE A 76 -9.812 3.470 3.576 1.00 0.52 H new ATOM 0 HG23 ILE A 76 -10.550 2.460 4.843 1.00 0.52 H new ATOM 0 HD11 ILE A 76 -13.601 0.063 2.587 1.00 0.90 H new ATOM 0 HD12 ILE A 76 -13.148 1.330 1.422 1.00 0.90 H new ATOM 0 HD13 ILE A 76 -11.884 0.421 2.285 1.00 0.90 H new ATOM 1031 N LEU A 77 -10.885 6.085 3.151 1.00 1.38 N ATOM 1032 CA LEU A 77 -9.889 7.166 3.247 1.00 1.52 C ATOM 1033 C LEU A 77 -10.423 8.392 4.007 1.00 1.72 C ATOM 1034 O LEU A 77 -9.682 9.033 4.761 1.00 1.80 O ATOM 1035 CB LEU A 77 -9.455 7.569 1.835 1.00 1.61 C ATOM 1036 CG LEU A 77 -8.433 6.606 1.199 1.00 1.47 C ATOM 1037 CD1 LEU A 77 -8.342 6.945 -0.283 1.00 1.59 C ATOM 1038 CD2 LEU A 77 -7.030 6.708 1.820 1.00 1.50 C ATOM 0 H LEU A 77 -11.191 5.895 2.197 1.00 1.38 H new ATOM 0 HA LEU A 77 -9.038 6.790 3.815 1.00 1.52 H new ATOM 0 HB2 LEU A 77 -10.336 7.623 1.196 1.00 1.61 H new ATOM 0 HB3 LEU A 77 -9.025 8.570 1.869 1.00 1.61 H new ATOM 0 HG LEU A 77 -8.778 5.587 1.374 1.00 1.47 H new ATOM 0 HD11 LEU A 77 -7.625 6.280 -0.765 1.00 1.59 H new ATOM 0 HD12 LEU A 77 -9.321 6.820 -0.746 1.00 1.59 H new ATOM 0 HD13 LEU A 77 -8.015 7.978 -0.401 1.00 1.59 H new ATOM 0 HD21 LEU A 77 -6.361 6.003 1.326 1.00 1.50 H new ATOM 0 HD22 LEU A 77 -6.648 7.721 1.692 1.00 1.50 H new ATOM 0 HD23 LEU A 77 -7.084 6.472 2.883 1.00 1.50 H new ATOM 1050 N ARG A 78 -11.722 8.678 3.862 1.00 1.83 N ATOM 1051 CA ARG A 78 -12.465 9.666 4.667 1.00 2.07 C ATOM 1052 C ARG A 78 -12.523 9.257 6.139 1.00 1.92 C ATOM 1053 O ARG A 78 -12.350 10.100 7.019 1.00 2.01 O ATOM 1054 CB ARG A 78 -13.887 9.845 4.106 1.00 2.36 C ATOM 1055 CG ARG A 78 -13.920 10.700 2.828 1.00 2.66 C ATOM 1056 CD ARG A 78 -15.185 10.489 1.986 1.00 3.06 C ATOM 1057 NE ARG A 78 -16.431 10.591 2.767 1.00 4.63 N ATOM 1058 CZ ARG A 78 -17.581 10.013 2.489 1.00 6.10 C ATOM 1059 NH1 ARG A 78 -17.765 9.290 1.423 1.00 6.62 N ATOM 1060 NH2 ARG A 78 -18.575 10.150 3.311 1.00 7.62 N ATOM 0 H ARG A 78 -12.305 8.218 3.163 1.00 1.83 H new ATOM 0 HA ARG A 78 -11.935 10.616 4.606 1.00 2.07 H new ATOM 0 HB2 ARG A 78 -14.315 8.865 3.893 1.00 2.36 H new ATOM 0 HB3 ARG A 78 -14.516 10.310 4.865 1.00 2.36 H new ATOM 0 HG2 ARG A 78 -13.846 11.752 3.102 1.00 2.66 H new ATOM 0 HG3 ARG A 78 -13.045 10.467 2.221 1.00 2.66 H new ATOM 0 HD2 ARG A 78 -15.206 11.227 1.184 1.00 3.06 H new ATOM 0 HD3 ARG A 78 -15.139 9.507 1.515 1.00 3.06 H new ATOM 0 HE ARG A 78 -16.399 11.168 3.608 1.00 4.63 H new ATOM 0 HH11 ARG A 78 -17.000 9.152 0.762 1.00 6.62 H new ATOM 0 HH12 ARG A 78 -18.674 8.861 1.248 1.00 6.62 H new ATOM 0 HH21 ARG A 78 -18.461 10.701 4.162 1.00 7.62 H new ATOM 0 HH22 ARG A 78 -19.471 9.707 3.106 1.00 7.62 H new ATOM 1074 N ALA A 79 -12.692 7.963 6.414 1.00 1.73 N ATOM 1075 CA ALA A 79 -12.656 7.430 7.774 1.00 1.60 C ATOM 1076 C ALA A 79 -11.258 7.466 8.413 1.00 1.47 C ATOM 1077 O ALA A 79 -11.182 7.653 9.627 1.00 1.52 O ATOM 1078 CB ALA A 79 -13.256 6.026 7.791 1.00 1.48 C ATOM 0 H ALA A 79 -12.858 7.255 5.698 1.00 1.73 H new ATOM 0 HA ALA A 79 -13.264 8.087 8.397 1.00 1.60 H new ATOM 0 HB1 ALA A 79 -13.228 5.631 8.806 1.00 1.48 H new ATOM 0 HB2 ALA A 79 -14.289 6.068 7.446 1.00 1.48 H new ATOM 0 HB3 ALA A 79 -12.680 5.376 7.133 1.00 1.48 H new ATOM 1084 N VAL A 80 -10.169 7.364 7.634 1.00 1.40 N ATOM 1085 CA VAL A 80 -8.814 7.651 8.134 1.00 1.44 C ATOM 1086 C VAL A 80 -8.662 9.151 8.418 1.00 1.71 C ATOM 1087 O VAL A 80 -8.173 9.540 9.481 1.00 1.85 O ATOM 1088 CB VAL A 80 -7.713 7.184 7.156 1.00 1.38 C ATOM 1089 CG1 VAL A 80 -6.334 7.322 7.801 1.00 1.51 C ATOM 1090 CG2 VAL A 80 -7.814 5.715 6.739 1.00 1.15 C ATOM 0 H VAL A 80 -10.200 7.084 6.654 1.00 1.40 H new ATOM 0 HA VAL A 80 -8.687 7.087 9.058 1.00 1.44 H new ATOM 0 HB VAL A 80 -7.851 7.819 6.281 1.00 1.38 H new ATOM 0 HG11 VAL A 80 -5.569 6.989 7.099 1.00 1.51 H new ATOM 0 HG12 VAL A 80 -6.157 8.365 8.062 1.00 1.51 H new ATOM 0 HG13 VAL A 80 -6.291 6.710 8.702 1.00 1.51 H new ATOM 0 HG21 VAL A 80 -7.002 5.475 6.053 1.00 1.15 H new ATOM 0 HG22 VAL A 80 -7.742 5.080 7.622 1.00 1.15 H new ATOM 0 HG23 VAL A 80 -8.770 5.542 6.245 1.00 1.15 H new ATOM 1100 N GLY A 81 -9.062 10.009 7.471 1.00 1.77 N ATOM 1101 CA GLY A 81 -8.835 11.460 7.529 1.00 1.89 C ATOM 1102 C GLY A 81 -7.379 11.860 7.255 1.00 1.93 C ATOM 1103 O GLY A 81 -6.984 13.006 7.475 1.00 2.05 O ATOM 0 H GLY A 81 -9.559 9.712 6.631 1.00 1.77 H new ATOM 0 HA2 GLY A 81 -9.482 11.951 6.802 1.00 1.89 H new ATOM 0 HA3 GLY A 81 -9.126 11.827 8.513 1.00 1.89 H new ATOM 1107 N ASN A 82 -6.575 10.897 6.799 1.00 1.86 N ATOM 1108 CA ASN A 82 -5.168 11.033 6.430 1.00 1.90 C ATOM 1109 C ASN A 82 -4.796 9.970 5.378 1.00 1.85 C ATOM 1110 O ASN A 82 -5.553 9.029 5.139 1.00 1.74 O ATOM 1111 CB ASN A 82 -4.305 10.888 7.709 1.00 1.88 C ATOM 1112 CG ASN A 82 -2.830 11.208 7.510 1.00 1.96 C ATOM 1113 OD1 ASN A 82 -2.454 12.026 6.678 1.00 2.44 O ATOM 1114 ND2 ASN A 82 -1.948 10.571 8.239 1.00 2.08 N ATOM 0 H ASN A 82 -6.912 9.943 6.670 1.00 1.86 H new ATOM 0 HA ASN A 82 -4.984 12.012 5.988 1.00 1.90 H new ATOM 0 HB2 ASN A 82 -4.706 11.545 8.480 1.00 1.88 H new ATOM 0 HB3 ASN A 82 -4.396 9.867 8.081 1.00 1.88 H new ATOM 0 HD21 ASN A 82 -0.953 10.756 8.113 1.00 2.08 H new ATOM 0 HD22 ASN A 82 -2.256 9.890 8.933 1.00 2.08 H new ATOM 1121 N MET A 83 -3.593 10.064 4.810 1.00 1.95 N ATOM 1122 CA MET A 83 -2.945 8.943 4.138 1.00 1.86 C ATOM 1123 C MET A 83 -2.703 7.820 5.166 1.00 1.86 C ATOM 1124 O MET A 83 -2.072 8.086 6.191 1.00 2.02 O ATOM 1125 CB MET A 83 -1.628 9.445 3.522 1.00 1.95 C ATOM 1126 CG MET A 83 -1.058 8.530 2.432 1.00 1.88 C ATOM 1127 SD MET A 83 -1.604 8.924 0.746 1.00 1.81 S ATOM 1128 CE MET A 83 -3.242 8.161 0.698 1.00 1.62 C ATOM 0 H MET A 83 -3.042 10.922 4.804 1.00 1.95 H new ATOM 0 HA MET A 83 -3.569 8.541 3.340 1.00 1.86 H new ATOM 0 HB2 MET A 83 -1.791 10.437 3.100 1.00 1.95 H new ATOM 0 HB3 MET A 83 -0.887 9.554 4.314 1.00 1.95 H new ATOM 0 HG2 MET A 83 0.030 8.580 2.468 1.00 1.88 H new ATOM 0 HG3 MET A 83 -1.337 7.501 2.658 1.00 1.88 H new ATOM 0 HE1 MET A 83 -3.595 8.121 -0.333 1.00 1.62 H new ATOM 0 HE2 MET A 83 -3.184 7.150 1.101 1.00 1.62 H new ATOM 0 HE3 MET A 83 -3.936 8.751 1.297 1.00 1.62 H new ATOM 1138 N PRO A 84 -3.142 6.569 4.930 1.00 1.72 N ATOM 1139 CA PRO A 84 -2.938 5.465 5.868 1.00 1.77 C ATOM 1140 C PRO A 84 -1.502 4.917 5.847 1.00 1.86 C ATOM 1141 O PRO A 84 -1.192 3.944 6.543 1.00 1.89 O ATOM 1142 CB PRO A 84 -3.972 4.411 5.475 1.00 1.62 C ATOM 1143 CG PRO A 84 -4.237 4.648 3.989 1.00 1.47 C ATOM 1144 CD PRO A 84 -3.899 6.123 3.773 1.00 1.54 C ATOM 0 HA PRO A 84 -3.071 5.795 6.898 1.00 1.77 H new ATOM 0 HB2 PRO A 84 -3.595 3.404 5.652 1.00 1.62 H new ATOM 0 HB3 PRO A 84 -4.885 4.517 6.060 1.00 1.62 H new ATOM 0 HG2 PRO A 84 -3.616 4.003 3.367 1.00 1.47 H new ATOM 0 HG3 PRO A 84 -5.275 4.436 3.732 1.00 1.47 H new ATOM 0 HD2 PRO A 84 -3.318 6.254 2.860 1.00 1.54 H new ATOM 0 HD3 PRO A 84 -4.809 6.713 3.659 1.00 1.54 H new ATOM 1152 N TYR A 85 -0.630 5.523 5.039 1.00 1.92 N ATOM 1153 CA TYR A 85 0.797 5.192 4.920 1.00 2.12 C ATOM 1154 C TYR A 85 1.708 6.424 4.863 1.00 2.45 C ATOM 1155 O TYR A 85 1.208 7.554 4.659 1.00 3.81 O ATOM 1156 CB TYR A 85 0.986 4.242 3.728 1.00 1.87 C ATOM 1157 CG TYR A 85 0.256 4.662 2.469 1.00 1.70 C ATOM 1158 CD1 TYR A 85 0.847 5.573 1.576 1.00 2.32 C ATOM 1159 CD2 TYR A 85 -1.028 4.149 2.203 1.00 2.34 C ATOM 1160 CE1 TYR A 85 0.171 5.941 0.397 1.00 2.53 C ATOM 1161 CE2 TYR A 85 -1.724 4.541 1.044 1.00 2.28 C ATOM 1162 CZ TYR A 85 -1.113 5.421 0.125 1.00 1.90 C ATOM 1163 OH TYR A 85 -1.772 5.775 -1.009 1.00 2.19 O ATOM 0 H TYR A 85 -0.906 6.288 4.424 1.00 1.92 H new ATOM 0 HA TYR A 85 1.112 4.682 5.830 1.00 2.12 H new ATOM 0 HB2 TYR A 85 2.050 4.164 3.507 1.00 1.87 H new ATOM 0 HB3 TYR A 85 0.646 3.247 4.015 1.00 1.87 H new ATOM 0 HD1 TYR A 85 1.819 5.990 1.794 1.00 2.32 H new ATOM 0 HD2 TYR A 85 -1.481 3.451 2.892 1.00 2.34 H new ATOM 0 HE1 TYR A 85 0.636 6.622 -0.300 1.00 2.53 H new ATOM 0 HE2 TYR A 85 -2.721 4.170 0.859 1.00 2.28 H new ATOM 0 HH TYR A 85 -2.642 5.324 -1.036 1.00 2.19 H new