USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 17 GLN : amide:sc= -3.59! K(o=-7.1!,f=-2.2) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -3.55! K(o=-7.1!,f=-2.2) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.056 USER MOD Set 2.2: A 15 TYR OH : rot 82:sc= 0.133 USER MOD Single : A 1 SER N :NH3+ -162:sc= 0.111 (180deg=-0.289) USER MOD Single : A 1 SER OG : rot 180:sc= 0.123 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.741 K(o=-0.74,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= -0.243 (180deg=-1.59!) USER MOD Single : A 12 GLN : amide:sc=-0.00963 K(o=-0.0096,f=-0.97!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.017) USER MOD Single : A 19 GLN : amide:sc= 0.573 K(o=0.57,f=-6.8!) USER MOD Single : A 20 SER OG : rot 34:sc= 0.32! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.75! C(o=-1.7!,f=-4.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.531 K(o=-0.53,f=-1.2!) USER MOD Single : A 38 SER OG : rot 61:sc= 0.16 USER MOD Single : A 42 GLN : amide:sc= -3.99! C(o=-4!,f=-13!) USER MOD Single : A 44 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-4.1!) USER MOD Single : A 45 SER OG : rot -13:sc= 0.845 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 72:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.180 -4.989 2.732 1.00 0.00 N ATOM 2 CA SER A 1 13.209 -5.519 1.747 1.00 0.00 C ATOM 3 C SER A 1 11.818 -4.974 2.039 1.00 0.00 C ATOM 4 O SER A 1 10.948 -5.002 1.192 1.00 0.00 O ATOM 5 CB SER A 1 13.158 -7.053 1.837 1.00 0.00 C ATOM 6 OG SER A 1 13.198 -7.322 3.231 1.00 0.00 O ATOM 0 H1 SER A 1 15.146 -5.106 2.365 1.00 0.00 H new ATOM 0 H2 SER A 1 13.992 -3.980 2.897 1.00 0.00 H new ATOM 0 H3 SER A 1 14.085 -5.509 3.627 1.00 0.00 H new ATOM 0 HA SER A 1 13.526 -5.212 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.250 -7.449 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.001 -7.511 1.319 1.00 0.00 H new ATOM 0 HG SER A 1 13.167 -8.290 3.378 1.00 0.00 H new ATOM 14 N TYR A 2 11.634 -4.485 3.234 1.00 0.00 N ATOM 15 CA TYR A 2 10.306 -3.935 3.599 1.00 0.00 C ATOM 16 C TYR A 2 10.026 -2.641 2.844 1.00 0.00 C ATOM 17 O TYR A 2 10.933 -1.984 2.371 1.00 0.00 O ATOM 18 CB TYR A 2 10.303 -3.632 5.105 1.00 0.00 C ATOM 19 CG TYR A 2 11.132 -4.686 5.841 1.00 0.00 C ATOM 20 CD1 TYR A 2 10.593 -5.924 6.131 1.00 0.00 C ATOM 21 CD2 TYR A 2 12.425 -4.412 6.236 1.00 0.00 C ATOM 22 CE1 TYR A 2 11.337 -6.872 6.804 1.00 0.00 C ATOM 23 CE2 TYR A 2 13.169 -5.360 6.909 1.00 0.00 C ATOM 24 CZ TYR A 2 12.630 -6.597 7.198 1.00 0.00 C ATOM 25 OH TYR A 2 13.372 -7.542 7.875 1.00 0.00 O ATOM 0 H TYR A 2 12.343 -4.444 3.967 1.00 0.00 H new ATOM 0 HA TYR A 2 9.539 -4.665 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 2 10.714 -2.639 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 2 9.281 -3.629 5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.582 -6.152 5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 2 12.859 -3.448 6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.903 -7.836 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 2 14.180 -5.132 7.212 1.00 0.00 H new ATOM 0 HH TYR A 2 14.261 -7.179 8.074 1.00 0.00 H new ATOM 35 N GLN A 3 8.769 -2.299 2.745 1.00 0.00 N ATOM 36 CA GLN A 3 8.407 -1.053 2.028 1.00 0.00 C ATOM 37 C GLN A 3 8.903 0.170 2.791 1.00 0.00 C ATOM 38 O GLN A 3 8.455 0.445 3.887 1.00 0.00 O ATOM 39 CB GLN A 3 6.873 -0.985 1.928 1.00 0.00 C ATOM 40 CG GLN A 3 6.441 -1.373 0.511 1.00 0.00 C ATOM 41 CD GLN A 3 4.921 -1.249 0.398 1.00 0.00 C ATOM 42 OE1 GLN A 3 4.394 -0.852 -0.621 1.00 0.00 O ATOM 43 NE2 GLN A 3 4.182 -1.577 1.422 1.00 0.00 N ATOM 0 H GLN A 3 7.986 -2.828 3.128 1.00 0.00 H new ATOM 0 HA GLN A 3 8.867 -1.059 1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.419 -1.658 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.526 0.021 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.926 -0.726 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.752 -2.394 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.620 -1.911 2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.167 -1.499 1.364 1.00 0.00 H new ATOM 52 N VAL A 4 9.818 0.885 2.198 1.00 0.00 N ATOM 53 CA VAL A 4 10.353 2.089 2.874 1.00 0.00 C ATOM 54 C VAL A 4 9.407 3.276 2.713 1.00 0.00 C ATOM 55 O VAL A 4 9.599 4.310 3.323 1.00 0.00 O ATOM 56 CB VAL A 4 11.702 2.440 2.227 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.792 1.535 2.808 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.612 2.211 0.715 1.00 0.00 C ATOM 0 H VAL A 4 10.214 0.686 1.279 1.00 0.00 H new ATOM 0 HA VAL A 4 10.465 1.880 3.938 1.00 0.00 H new ATOM 0 HB VAL A 4 11.944 3.484 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.751 1.781 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.854 1.686 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.548 0.493 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.567 2.459 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.374 1.166 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.831 2.845 0.297 1.00 0.00 H new ATOM 68 N ILE A 5 8.401 3.101 1.893 1.00 0.00 N ATOM 69 CA ILE A 5 7.427 4.195 1.669 1.00 0.00 C ATOM 70 C ILE A 5 6.096 3.918 2.371 1.00 0.00 C ATOM 71 O ILE A 5 5.898 2.864 2.944 1.00 0.00 O ATOM 72 CB ILE A 5 7.174 4.283 0.172 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.921 2.893 -0.387 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.426 4.864 -0.506 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.731 2.949 -1.347 1.00 0.00 C ATOM 0 H ILE A 5 8.218 2.244 1.371 1.00 0.00 H new ATOM 0 HA ILE A 5 7.835 5.122 2.072 1.00 0.00 H new ATOM 0 HB ILE A 5 6.307 4.917 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.807 2.530 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.718 2.193 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.259 4.933 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.629 5.857 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.279 4.214 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.543 1.955 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.847 3.295 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.953 3.637 -2.162 1.00 0.00 H new ATOM 87 N CYS A 6 5.211 4.882 2.310 1.00 0.00 N ATOM 88 CA CYS A 6 3.883 4.717 2.960 1.00 0.00 C ATOM 89 C CYS A 6 2.796 5.359 2.099 1.00 0.00 C ATOM 90 O CYS A 6 2.751 6.560 1.959 1.00 0.00 O ATOM 91 CB CYS A 6 3.920 5.432 4.322 1.00 0.00 C ATOM 92 SG CYS A 6 3.986 4.399 5.807 1.00 0.00 S ATOM 0 H CYS A 6 5.355 5.774 1.837 1.00 0.00 H new ATOM 0 HA CYS A 6 3.664 3.656 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.788 6.091 4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.037 6.067 4.393 1.00 0.00 H new ATOM 97 N ARG A 7 1.930 4.546 1.548 1.00 0.00 N ATOM 98 CA ARG A 7 0.849 5.102 0.694 1.00 0.00 C ATOM 99 C ARG A 7 -0.394 5.468 1.504 1.00 0.00 C ATOM 100 O ARG A 7 -1.054 4.609 2.053 1.00 0.00 O ATOM 101 CB ARG A 7 0.456 4.023 -0.320 1.00 0.00 C ATOM 102 CG ARG A 7 -0.559 4.606 -1.307 1.00 0.00 C ATOM 103 CD ARG A 7 -0.792 3.603 -2.441 1.00 0.00 C ATOM 104 NE ARG A 7 -2.071 3.935 -3.129 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.056 4.244 -4.397 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.827 3.304 -5.272 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.273 5.482 -4.747 1.00 0.00 N ATOM 0 H ARG A 7 1.928 3.532 1.654 1.00 0.00 H new ATOM 0 HA ARG A 7 1.219 6.009 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.338 3.670 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.028 3.162 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.498 4.821 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.192 5.550 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.036 3.637 -3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.831 2.589 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.951 3.921 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.664 2.346 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.811 3.527 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.451 6.190 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.265 5.742 -5.733 1.00 0.00 H new ATOM 121 N ASP A 8 -0.685 6.750 1.556 1.00 0.00 N ATOM 122 CA ASP A 8 -1.880 7.206 2.321 1.00 0.00 C ATOM 123 C ASP A 8 -3.040 7.531 1.375 1.00 0.00 C ATOM 124 O ASP A 8 -2.874 8.259 0.408 1.00 0.00 O ATOM 125 CB ASP A 8 -1.498 8.463 3.097 1.00 0.00 C ATOM 126 CG ASP A 8 -2.437 8.620 4.290 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.627 8.526 4.054 1.00 0.00 O ATOM 128 OD2 ASP A 8 -1.910 8.825 5.372 1.00 0.00 O ATOM 0 H ASP A 8 -0.148 7.490 1.104 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.200 6.413 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.465 8.394 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.563 9.338 2.450 1.00 0.00 H new ATOM 133 N GLU A 9 -4.198 6.983 1.679 1.00 0.00 N ATOM 134 CA GLU A 9 -5.385 7.232 0.823 1.00 0.00 C ATOM 135 C GLU A 9 -6.205 8.439 1.295 1.00 0.00 C ATOM 136 O GLU A 9 -7.197 8.783 0.684 1.00 0.00 O ATOM 137 CB GLU A 9 -6.274 5.986 0.888 1.00 0.00 C ATOM 138 CG GLU A 9 -6.908 5.892 2.279 1.00 0.00 C ATOM 139 CD GLU A 9 -7.473 4.485 2.485 1.00 0.00 C ATOM 140 OE1 GLU A 9 -8.340 4.129 1.703 1.00 0.00 O ATOM 141 OE2 GLU A 9 -7.008 3.846 3.415 1.00 0.00 O ATOM 0 H GLU A 9 -4.362 6.377 2.483 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.041 7.444 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.050 6.038 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.684 5.093 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.165 6.113 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.701 6.633 2.380 1.00 0.00 H new ATOM 148 N LYS A 10 -5.788 9.059 2.365 1.00 0.00 N ATOM 149 CA LYS A 10 -6.556 10.236 2.857 1.00 0.00 C ATOM 150 C LYS A 10 -6.143 11.474 2.092 1.00 0.00 C ATOM 151 O LYS A 10 -6.775 12.509 2.175 1.00 0.00 O ATOM 152 CB LYS A 10 -6.235 10.442 4.345 1.00 0.00 C ATOM 153 CG LYS A 10 -7.527 10.366 5.156 1.00 0.00 C ATOM 154 CD LYS A 10 -8.049 8.924 5.143 1.00 0.00 C ATOM 155 CE LYS A 10 -9.571 8.939 4.957 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.186 10.035 5.761 1.00 0.00 N ATOM 0 H LYS A 10 -4.964 8.807 2.911 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.623 10.063 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.533 9.681 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.755 11.409 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.346 10.690 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.274 11.039 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.578 8.362 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.790 8.423 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.813 9.074 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.990 7.979 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.141 9.752 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.601 10.220 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.246 10.898 5.183 1.00 0.00 H new ATOM 170 N THR A 11 -5.087 11.336 1.361 1.00 0.00 N ATOM 171 CA THR A 11 -4.586 12.472 0.565 1.00 0.00 C ATOM 172 C THR A 11 -4.037 11.961 -0.750 1.00 0.00 C ATOM 173 O THR A 11 -3.773 12.725 -1.654 1.00 0.00 O ATOM 174 CB THR A 11 -3.461 13.155 1.345 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.374 13.235 0.445 1.00 0.00 O ATOM 176 CG2 THR A 11 -2.962 12.248 2.473 1.00 0.00 C ATOM 0 H THR A 11 -4.544 10.476 1.280 1.00 0.00 H new ATOM 0 HA THR A 11 -5.394 13.177 0.372 1.00 0.00 H new ATOM 0 HB THR A 11 -3.810 14.108 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.614 13.668 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.162 12.750 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.784 12.030 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.585 11.317 2.051 1.00 0.00 H new ATOM 184 N GLN A 12 -3.860 10.660 -0.817 1.00 0.00 N ATOM 185 CA GLN A 12 -3.331 10.040 -2.056 1.00 0.00 C ATOM 186 C GLN A 12 -1.917 10.489 -2.274 1.00 0.00 C ATOM 187 O GLN A 12 -1.535 10.850 -3.371 1.00 0.00 O ATOM 188 CB GLN A 12 -4.191 10.462 -3.268 1.00 0.00 C ATOM 189 CG GLN A 12 -5.675 10.388 -2.894 1.00 0.00 C ATOM 190 CD GLN A 12 -6.507 10.266 -4.173 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.043 10.550 -5.260 1.00 0.00 O ATOM 192 NE2 GLN A 12 -7.741 9.847 -4.089 1.00 0.00 N ATOM 0 H GLN A 12 -4.063 10.007 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.363 8.955 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.933 11.475 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.986 9.810 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.857 9.532 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.968 11.279 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.137 9.607 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.309 9.760 -4.932 1.00 0.00 H new ATOM 201 N MET A 13 -1.164 10.462 -1.212 1.00 0.00 N ATOM 202 CA MET A 13 0.248 10.882 -1.302 1.00 0.00 C ATOM 203 C MET A 13 1.142 9.886 -0.590 1.00 0.00 C ATOM 204 O MET A 13 0.851 9.469 0.517 1.00 0.00 O ATOM 205 CB MET A 13 0.392 12.256 -0.625 1.00 0.00 C ATOM 206 CG MET A 13 1.800 12.803 -0.877 1.00 0.00 C ATOM 207 SD MET A 13 2.118 14.527 -0.422 1.00 0.00 S ATOM 208 CE MET A 13 1.505 15.282 -1.949 1.00 0.00 C ATOM 0 H MET A 13 -1.472 10.165 -0.286 1.00 0.00 H new ATOM 0 HA MET A 13 0.543 10.934 -2.350 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.354 12.947 -1.018 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.211 12.167 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.507 12.176 -0.335 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.021 12.688 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.608 16.365 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.083 14.911 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.455 15.025 -2.086 1.00 0.00 H new ATOM 218 N ILE A 14 2.211 9.517 -1.233 1.00 0.00 N ATOM 219 CA ILE A 14 3.130 8.551 -0.607 1.00 0.00 C ATOM 220 C ILE A 14 4.245 9.267 0.145 1.00 0.00 C ATOM 221 O ILE A 14 4.741 10.284 -0.298 1.00 0.00 O ATOM 222 CB ILE A 14 3.734 7.687 -1.709 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.608 7.140 -2.581 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.484 6.506 -1.055 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.138 6.002 -3.454 1.00 0.00 C ATOM 0 H ILE A 14 2.482 9.844 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 14 2.579 7.940 0.108 1.00 0.00 H new ATOM 0 HB ILE A 14 4.420 8.276 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.792 6.781 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.203 7.934 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.922 5.878 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.274 6.889 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.786 5.915 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.331 5.614 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.939 6.375 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.522 5.204 -2.818 1.00 0.00 H new ATOM 237 N TYR A 15 4.610 8.710 1.273 1.00 0.00 N ATOM 238 CA TYR A 15 5.690 9.321 2.094 1.00 0.00 C ATOM 239 C TYR A 15 6.851 8.352 2.257 1.00 0.00 C ATOM 240 O TYR A 15 6.760 7.202 1.884 1.00 0.00 O ATOM 241 CB TYR A 15 5.114 9.639 3.482 1.00 0.00 C ATOM 242 CG TYR A 15 3.883 10.534 3.324 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.639 9.983 3.092 1.00 0.00 C ATOM 244 CD2 TYR A 15 4.001 11.906 3.409 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.531 10.792 2.947 1.00 0.00 C ATOM 246 CE2 TYR A 15 2.892 12.714 3.265 1.00 0.00 C ATOM 247 CZ TYR A 15 1.649 12.164 3.033 1.00 0.00 C ATOM 248 OH TYR A 15 0.540 12.971 2.890 1.00 0.00 O ATOM 0 H TYR A 15 4.204 7.857 1.658 1.00 0.00 H new ATOM 0 HA TYR A 15 6.052 10.223 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.844 8.717 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.865 10.138 4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.532 8.910 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.968 12.351 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.564 10.348 2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.998 13.786 3.335 1.00 0.00 H new ATOM 0 HH TYR A 15 0.051 13.008 3.738 1.00 0.00 H new ATOM 258 N GLN A 16 7.927 8.836 2.811 1.00 0.00 N ATOM 259 CA GLN A 16 9.101 7.965 3.007 1.00 0.00 C ATOM 260 C GLN A 16 9.025 7.230 4.328 1.00 0.00 C ATOM 261 O GLN A 16 7.989 7.176 4.962 1.00 0.00 O ATOM 262 CB GLN A 16 10.351 8.850 3.008 1.00 0.00 C ATOM 263 CG GLN A 16 10.334 9.744 1.767 1.00 0.00 C ATOM 264 CD GLN A 16 11.762 10.189 1.445 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.050 10.649 0.358 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.684 10.068 2.359 1.00 0.00 N ATOM 0 H GLN A 16 8.037 9.797 3.134 1.00 0.00 H new ATOM 0 HA GLN A 16 9.133 7.226 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.378 9.461 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.249 8.232 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.910 9.203 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.700 10.614 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.448 9.683 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.641 10.359 2.160 1.00 0.00 H new ATOM 275 N GLN A 17 10.128 6.681 4.713 1.00 0.00 N ATOM 276 CA GLN A 17 10.173 5.934 5.989 1.00 0.00 C ATOM 277 C GLN A 17 10.415 6.872 7.165 1.00 0.00 C ATOM 278 O GLN A 17 11.121 7.852 7.039 1.00 0.00 O ATOM 279 CB GLN A 17 11.331 4.929 5.918 1.00 0.00 C ATOM 280 CG GLN A 17 11.038 3.762 6.862 1.00 0.00 C ATOM 281 CD GLN A 17 12.325 2.970 7.101 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.512 1.895 6.569 1.00 0.00 O ATOM 283 NE2 GLN A 17 13.234 3.465 7.895 1.00 0.00 N ATOM 0 H GLN A 17 11.008 6.716 4.198 1.00 0.00 H new ATOM 0 HA GLN A 17 9.218 5.430 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.452 4.566 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.267 5.413 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.645 4.134 7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.273 3.115 6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.082 4.368 8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.097 2.949 8.066 1.00 0.00 H new ATOM 292 N HIS A 18 9.809 6.563 8.287 1.00 0.00 N ATOM 293 CA HIS A 18 9.994 7.426 9.485 1.00 0.00 C ATOM 294 C HIS A 18 9.639 8.871 9.176 1.00 0.00 C ATOM 295 O HIS A 18 10.101 9.777 9.841 1.00 0.00 O ATOM 296 CB HIS A 18 11.466 7.358 9.931 1.00 0.00 C ATOM 297 CG HIS A 18 11.828 5.915 10.291 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.926 5.374 10.048 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.074 4.948 10.930 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.956 4.175 10.459 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.813 3.809 11.041 1.00 0.00 N ATOM 0 H HIS A 18 9.200 5.756 8.420 1.00 0.00 H new ATOM 0 HA HIS A 18 9.336 7.066 10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.115 7.718 9.133 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.626 8.009 10.790 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.062 5.075 11.284 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.811 3.524 10.350 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.559 2.914 11.459 1.00 0.00 H new ATOM 309 N GLN A 19 8.820 9.061 8.172 1.00 0.00 N ATOM 310 CA GLN A 19 8.422 10.445 7.805 1.00 0.00 C ATOM 311 C GLN A 19 7.047 10.760 8.381 1.00 0.00 C ATOM 312 O GLN A 19 6.123 9.983 8.241 1.00 0.00 O ATOM 313 CB GLN A 19 8.380 10.553 6.270 1.00 0.00 C ATOM 314 CG GLN A 19 8.827 11.961 5.864 1.00 0.00 C ATOM 315 CD GLN A 19 8.279 12.296 4.476 1.00 0.00 C ATOM 316 OE1 GLN A 19 7.788 11.443 3.767 1.00 0.00 O ATOM 317 NE2 GLN A 19 8.345 13.528 4.051 1.00 0.00 N ATOM 0 H GLN A 19 8.415 8.322 7.598 1.00 0.00 H new ATOM 0 HA GLN A 19 9.142 11.157 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.033 9.805 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.372 10.357 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.471 12.690 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.915 12.020 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.757 14.250 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.985 13.769 3.128 1.00 0.00 H new ATOM 326 N SER A 20 6.932 11.898 9.020 1.00 0.00 N ATOM 327 CA SER A 20 5.622 12.274 9.615 1.00 0.00 C ATOM 328 C SER A 20 4.813 13.205 8.722 1.00 0.00 C ATOM 329 O SER A 20 5.329 14.153 8.165 1.00 0.00 O ATOM 330 CB SER A 20 5.893 12.995 10.939 1.00 0.00 C ATOM 331 OG SER A 20 6.703 14.104 10.573 1.00 0.00 O ATOM 0 H SER A 20 7.684 12.574 9.152 1.00 0.00 H new ATOM 0 HA SER A 20 5.042 11.361 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.966 13.318 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.405 12.345 11.649 1.00 0.00 H new ATOM 0 HG SER A 20 6.435 14.427 9.688 1.00 0.00 H new ATOM 337 N TRP A 21 3.544 12.903 8.608 1.00 0.00 N ATOM 338 CA TRP A 21 2.655 13.743 7.765 1.00 0.00 C ATOM 339 C TRP A 21 1.261 13.836 8.393 1.00 0.00 C ATOM 340 O TRP A 21 0.631 12.837 8.674 1.00 0.00 O ATOM 341 CB TRP A 21 2.558 13.128 6.355 1.00 0.00 C ATOM 342 CG TRP A 21 1.638 11.895 6.346 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.344 11.936 6.047 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.048 10.649 6.498 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.017 10.637 6.009 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.009 9.757 6.282 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.306 10.160 6.822 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.223 8.398 6.379 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.514 8.795 6.921 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.473 7.918 6.699 1.00 0.00 C ATOM 0 H TRP A 21 3.090 12.111 9.064 1.00 0.00 H new ATOM 0 HA TRP A 21 3.071 14.748 7.695 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.178 13.873 5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.552 12.845 6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.274 12.805 5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.967 10.332 5.797 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.123 10.845 6.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.409 7.710 6.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.494 8.416 7.173 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.639 6.854 6.776 1.00 0.00 H new ATOM 361 N LEU A 22 0.814 15.050 8.600 1.00 0.00 N ATOM 362 CA LEU A 22 -0.529 15.264 9.210 1.00 0.00 C ATOM 363 C LEU A 22 -1.656 15.090 8.193 1.00 0.00 C ATOM 364 O LEU A 22 -1.437 15.112 7.000 1.00 0.00 O ATOM 365 CB LEU A 22 -0.580 16.715 9.732 1.00 0.00 C ATOM 366 CG LEU A 22 0.182 16.849 11.064 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.642 16.236 12.199 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.542 16.136 10.972 1.00 0.00 C ATOM 0 H LEU A 22 1.325 15.903 8.371 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.669 14.529 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.146 17.387 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.617 17.019 9.870 1.00 0.00 H new ATOM 0 HG LEU A 22 0.348 17.907 11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.097 16.334 13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.597 16.756 12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.819 15.181 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.071 16.238 11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.385 15.079 10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.135 16.585 10.175 1.00 0.00 H new ATOM 380 N ARG A 23 -2.850 14.921 8.707 1.00 0.00 N ATOM 381 CA ARG A 23 -4.031 14.743 7.822 1.00 0.00 C ATOM 382 C ARG A 23 -5.276 15.399 8.469 1.00 0.00 C ATOM 383 O ARG A 23 -5.302 15.618 9.665 1.00 0.00 O ATOM 384 CB ARG A 23 -4.274 13.227 7.669 1.00 0.00 C ATOM 385 CG ARG A 23 -3.665 12.742 6.344 1.00 0.00 C ATOM 386 CD ARG A 23 -3.423 11.236 6.430 1.00 0.00 C ATOM 387 NE ARG A 23 -4.686 10.568 6.849 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.627 9.518 7.615 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.845 9.546 8.660 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.345 8.472 7.311 1.00 0.00 N ATOM 0 H ARG A 23 -3.053 14.899 9.706 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.854 15.209 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.827 12.690 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.343 13.015 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.336 12.969 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.728 13.263 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.095 10.851 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.628 11.022 7.145 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.588 10.930 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.295 10.381 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.784 8.733 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.941 8.486 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.310 7.641 7.901 1.00 0.00 H new ATOM 404 N PRO A 24 -6.295 15.705 7.664 1.00 0.00 N ATOM 405 CA PRO A 24 -7.514 16.328 8.184 1.00 0.00 C ATOM 406 C PRO A 24 -8.061 15.574 9.396 1.00 0.00 C ATOM 407 O PRO A 24 -7.519 14.564 9.798 1.00 0.00 O ATOM 408 CB PRO A 24 -8.522 16.258 7.016 1.00 0.00 C ATOM 409 CG PRO A 24 -7.743 15.738 5.765 1.00 0.00 C ATOM 410 CD PRO A 24 -6.302 15.441 6.216 1.00 0.00 C ATOM 0 HA PRO A 24 -7.326 17.347 8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.348 15.590 7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.953 17.240 6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.214 14.840 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.751 16.483 4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.026 14.409 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.586 16.077 5.695 1.00 0.00 H new ATOM 418 N VAL A 25 -9.130 16.083 9.957 1.00 0.00 N ATOM 419 CA VAL A 25 -9.723 15.414 11.142 1.00 0.00 C ATOM 420 C VAL A 25 -10.661 14.289 10.732 1.00 0.00 C ATOM 421 O VAL A 25 -10.886 14.056 9.562 1.00 0.00 O ATOM 422 CB VAL A 25 -10.520 16.469 11.955 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.920 17.861 11.718 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.991 16.484 11.514 1.00 0.00 C ATOM 0 H VAL A 25 -9.610 16.927 9.644 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.920 14.984 11.740 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.462 16.209 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.481 18.601 12.289 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.878 17.868 12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.974 18.105 10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.537 17.229 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.051 16.733 10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.431 15.501 11.681 1.00 0.00 H new ATOM 434 N LEU A 26 -11.195 13.610 11.712 1.00 0.00 N ATOM 435 CA LEU A 26 -12.122 12.496 11.409 1.00 0.00 C ATOM 436 C LEU A 26 -13.561 12.992 11.346 1.00 0.00 C ATOM 437 O LEU A 26 -14.173 12.996 10.297 1.00 0.00 O ATOM 438 CB LEU A 26 -12.006 11.445 12.529 1.00 0.00 C ATOM 439 CG LEU A 26 -10.544 11.329 12.964 1.00 0.00 C ATOM 440 CD1 LEU A 26 -10.404 10.161 13.941 1.00 0.00 C ATOM 441 CD2 LEU A 26 -9.671 11.065 11.737 1.00 0.00 C ATOM 0 H LEU A 26 -11.027 13.782 12.703 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.858 12.067 10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.628 11.731 13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.370 10.480 12.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.229 12.255 13.446 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.364 10.072 14.255 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.033 10.339 14.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.715 9.238 13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.628 10.982 12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.984 10.136 11.261 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.777 11.889 11.031 1.00 0.00 H new ATOM 453 N ARG A 27 -14.072 13.403 12.471 1.00 0.00 N ATOM 454 CA ARG A 27 -15.468 13.903 12.506 1.00 0.00 C ATOM 455 C ARG A 27 -15.603 15.056 13.488 1.00 0.00 C ATOM 456 O ARG A 27 -16.562 15.801 13.443 1.00 0.00 O ATOM 457 CB ARG A 27 -16.384 12.759 12.974 1.00 0.00 C ATOM 458 CG ARG A 27 -16.276 11.588 11.997 1.00 0.00 C ATOM 459 CD ARG A 27 -17.544 10.735 12.102 1.00 0.00 C ATOM 460 NE ARG A 27 -17.262 9.372 11.572 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.249 8.532 11.414 1.00 0.00 C ATOM 462 NH1 ARG A 27 -19.366 8.741 12.056 1.00 0.00 N ATOM 463 NH2 ARG A 27 -18.086 7.510 10.619 1.00 0.00 N ATOM 0 H ARG A 27 -13.582 13.414 13.366 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.744 14.250 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.100 12.438 13.976 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.416 13.105 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.153 11.957 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.397 10.986 12.226 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -17.871 10.674 13.140 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.355 11.197 11.539 1.00 0.00 H new ATOM 0 HE ARG A 27 -16.309 9.098 11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.458 9.551 12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -20.147 8.095 11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.199 7.378 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -18.846 6.843 10.483 1.00 0.00 H new ATOM 477 N SER A 28 -14.634 15.186 14.361 1.00 0.00 N ATOM 478 CA SER A 28 -14.687 16.278 15.353 1.00 0.00 C ATOM 479 C SER A 28 -13.822 17.454 14.920 1.00 0.00 C ATOM 480 O SER A 28 -14.068 18.067 13.901 1.00 0.00 O ATOM 481 CB SER A 28 -14.151 15.733 16.680 1.00 0.00 C ATOM 482 OG SER A 28 -15.133 14.796 17.094 1.00 0.00 O ATOM 0 H SER A 28 -13.816 14.580 14.421 1.00 0.00 H new ATOM 0 HA SER A 28 -15.715 16.626 15.450 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.178 15.259 16.552 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.024 16.528 17.415 1.00 0.00 H new ATOM 0 HG SER A 28 -14.863 14.394 17.946 1.00 0.00 H new ATOM 488 N ASN A 29 -12.822 17.743 15.711 1.00 0.00 N ATOM 489 CA ASN A 29 -11.922 18.867 15.383 1.00 0.00 C ATOM 490 C ASN A 29 -10.468 18.508 15.666 1.00 0.00 C ATOM 491 O ASN A 29 -9.613 19.368 15.717 1.00 0.00 O ATOM 492 CB ASN A 29 -12.320 20.048 16.268 1.00 0.00 C ATOM 493 CG ASN A 29 -12.038 19.712 17.739 1.00 0.00 C ATOM 494 OD1 ASN A 29 -10.956 19.295 18.099 1.00 0.00 O ATOM 495 ND2 ASN A 29 -12.986 19.885 18.618 1.00 0.00 N ATOM 0 H ASN A 29 -12.596 17.242 16.571 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.012 19.107 14.324 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.763 20.938 15.975 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.377 20.275 16.133 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.816 19.670 19.601 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.897 20.235 18.323 1.00 0.00 H new ATOM 502 N ARG A 30 -10.215 17.245 15.843 1.00 0.00 N ATOM 503 CA ARG A 30 -8.828 16.812 16.124 1.00 0.00 C ATOM 504 C ARG A 30 -8.017 16.789 14.841 1.00 0.00 C ATOM 505 O ARG A 30 -8.497 17.175 13.805 1.00 0.00 O ATOM 506 CB ARG A 30 -8.881 15.390 16.691 1.00 0.00 C ATOM 507 CG ARG A 30 -9.852 15.355 17.872 1.00 0.00 C ATOM 508 CD ARG A 30 -9.424 14.245 18.832 1.00 0.00 C ATOM 509 NE ARG A 30 -10.596 13.836 19.654 1.00 0.00 N ATOM 510 CZ ARG A 30 -10.498 12.798 20.439 1.00 0.00 C ATOM 511 NH1 ARG A 30 -10.119 11.657 19.933 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.784 12.937 21.704 1.00 0.00 N ATOM 0 H ARG A 30 -10.908 16.498 15.805 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.364 17.502 16.829 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.202 14.690 15.920 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.888 15.077 17.012 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.856 16.317 18.385 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.868 15.178 17.520 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.040 13.392 18.273 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.616 14.594 19.475 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.468 14.363 19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.905 11.586 18.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.037 10.836 20.532 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.078 13.845 22.064 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.714 12.138 22.334 1.00 0.00 H new ATOM 526 N VAL A 31 -6.798 16.350 14.943 1.00 0.00 N ATOM 527 CA VAL A 31 -5.926 16.288 13.735 1.00 0.00 C ATOM 528 C VAL A 31 -5.308 14.909 13.631 1.00 0.00 C ATOM 529 O VAL A 31 -4.938 14.323 14.628 1.00 0.00 O ATOM 530 CB VAL A 31 -4.805 17.334 13.871 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.001 18.419 12.809 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.870 17.974 15.258 1.00 0.00 C ATOM 0 H VAL A 31 -6.364 16.031 15.809 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.519 16.491 12.843 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.837 16.852 13.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.210 19.164 12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.963 17.968 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.969 18.899 12.953 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.076 18.715 15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.837 18.459 15.390 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.743 17.205 16.020 1.00 0.00 H new ATOM 542 N GLU A 32 -5.198 14.402 12.429 1.00 0.00 N ATOM 543 CA GLU A 32 -4.604 13.061 12.282 1.00 0.00 C ATOM 544 C GLU A 32 -3.119 13.144 12.110 1.00 0.00 C ATOM 545 O GLU A 32 -2.622 13.654 11.125 1.00 0.00 O ATOM 546 CB GLU A 32 -5.198 12.371 11.061 1.00 0.00 C ATOM 547 CG GLU A 32 -6.302 11.426 11.521 1.00 0.00 C ATOM 548 CD GLU A 32 -5.673 10.144 12.069 1.00 0.00 C ATOM 549 OE1 GLU A 32 -5.414 9.277 11.254 1.00 0.00 O ATOM 550 OE2 GLU A 32 -5.484 10.108 13.275 1.00 0.00 O ATOM 0 H GLU A 32 -5.491 14.857 11.564 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.824 12.494 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.598 13.110 10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.426 11.818 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.909 11.904 12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.967 11.192 10.689 1.00 0.00 H new ATOM 557 N TYR A 33 -2.444 12.637 13.072 1.00 0.00 N ATOM 558 CA TYR A 33 -0.978 12.645 13.037 1.00 0.00 C ATOM 559 C TYR A 33 -0.505 11.265 12.684 1.00 0.00 C ATOM 560 O TYR A 33 -0.860 10.310 13.348 1.00 0.00 O ATOM 561 CB TYR A 33 -0.481 13.012 14.450 1.00 0.00 C ATOM 562 CG TYR A 33 1.037 13.260 14.448 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.929 12.216 14.270 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.538 14.533 14.638 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.285 12.444 14.279 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.895 14.758 14.646 1.00 0.00 C ATOM 567 CZ TYR A 33 3.781 13.717 14.466 1.00 0.00 C ATOM 568 OH TYR A 33 5.142 13.944 14.472 1.00 0.00 O ATOM 0 H TYR A 33 -2.853 12.207 13.902 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.601 13.359 12.304 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.999 13.904 14.802 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.722 12.208 15.145 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.556 11.213 14.123 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.858 15.360 14.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.967 11.619 14.138 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.270 15.760 14.795 1.00 0.00 H new ATOM 0 HH TYR A 33 5.314 14.898 14.615 1.00 0.00 H new ATOM 578 N CYS A 34 0.279 11.156 11.649 1.00 0.00 N ATOM 579 CA CYS A 34 0.753 9.809 11.286 1.00 0.00 C ATOM 580 C CYS A 34 2.117 9.812 10.661 1.00 0.00 C ATOM 581 O CYS A 34 2.493 10.717 9.949 1.00 0.00 O ATOM 582 CB CYS A 34 -0.250 9.181 10.307 1.00 0.00 C ATOM 583 SG CYS A 34 -0.184 7.383 10.095 1.00 0.00 S ATOM 0 H CYS A 34 0.601 11.922 11.058 1.00 0.00 H new ATOM 0 HA CYS A 34 0.828 9.231 12.207 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.255 9.446 10.636 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.103 9.642 9.330 1.00 0.00 H new ATOM 588 N TRP A 35 2.835 8.769 10.954 1.00 0.00 N ATOM 589 CA TRP A 35 4.196 8.628 10.416 1.00 0.00 C ATOM 590 C TRP A 35 4.492 7.174 10.084 1.00 0.00 C ATOM 591 O TRP A 35 3.978 6.279 10.714 1.00 0.00 O ATOM 592 CB TRP A 35 5.179 9.086 11.492 1.00 0.00 C ATOM 593 CG TRP A 35 5.587 7.868 12.332 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.594 7.080 12.023 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.985 7.462 13.434 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.597 6.158 12.992 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.604 6.327 13.938 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.890 7.990 14.100 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.134 5.732 15.091 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.424 7.391 15.254 1.00 0.00 C ATOM 601 CH2 TRP A 35 4.046 6.265 15.747 1.00 0.00 C ATOM 0 H TRP A 35 2.526 8.002 11.552 1.00 0.00 H new ATOM 0 HA TRP A 35 4.289 9.225 9.509 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.057 9.541 11.033 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.720 9.846 12.125 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.265 7.159 11.180 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.274 5.396 13.029 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.400 8.872 13.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.619 4.849 15.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.571 7.806 15.770 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.680 5.799 16.650 1.00 0.00 H new ATOM 612 N CYS A 36 5.331 6.971 9.114 1.00 0.00 N ATOM 613 CA CYS A 36 5.679 5.579 8.720 1.00 0.00 C ATOM 614 C CYS A 36 6.701 4.950 9.663 1.00 0.00 C ATOM 615 O CYS A 36 7.830 5.384 9.728 1.00 0.00 O ATOM 616 CB CYS A 36 6.301 5.627 7.325 1.00 0.00 C ATOM 617 SG CYS A 36 5.958 4.243 6.210 1.00 0.00 S ATOM 0 H CYS A 36 5.792 7.705 8.576 1.00 0.00 H new ATOM 0 HA CYS A 36 4.769 4.980 8.753 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.965 6.543 6.838 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.382 5.706 7.441 1.00 0.00 H new ATOM 622 N ASN A 37 6.295 3.926 10.369 1.00 0.00 N ATOM 623 CA ASN A 37 7.249 3.272 11.302 1.00 0.00 C ATOM 624 C ASN A 37 8.092 2.249 10.552 1.00 0.00 C ATOM 625 O ASN A 37 9.135 1.833 11.020 1.00 0.00 O ATOM 626 CB ASN A 37 6.457 2.549 12.404 1.00 0.00 C ATOM 627 CG ASN A 37 7.361 2.338 13.623 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.749 3.276 14.291 1.00 0.00 O ATOM 629 ND2 ASN A 37 7.717 1.124 13.947 1.00 0.00 N ATOM 0 H ASN A 37 5.359 3.522 10.339 1.00 0.00 H new ATOM 0 HA ASN A 37 7.900 4.030 11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.582 3.136 12.683 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.093 1.590 12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.317 0.968 14.757 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.395 0.332 13.390 1.00 0.00 H new ATOM 636 N SER A 38 7.620 1.859 9.395 1.00 0.00 N ATOM 637 CA SER A 38 8.372 0.864 8.592 1.00 0.00 C ATOM 638 C SER A 38 7.711 0.654 7.233 1.00 0.00 C ATOM 639 O SER A 38 8.337 0.193 6.300 1.00 0.00 O ATOM 640 CB SER A 38 8.375 -0.473 9.348 1.00 0.00 C ATOM 641 OG SER A 38 9.743 -0.696 9.653 1.00 0.00 O ATOM 0 H SER A 38 6.749 2.188 8.978 1.00 0.00 H new ATOM 0 HA SER A 38 9.387 1.229 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.769 -0.421 10.252 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.967 -1.278 8.736 1.00 0.00 H new ATOM 0 HG SER A 38 10.077 0.036 10.212 1.00 0.00 H new ATOM 647 N GLY A 39 6.453 1.001 7.147 1.00 0.00 N ATOM 648 CA GLY A 39 5.734 0.826 5.853 1.00 0.00 C ATOM 649 C GLY A 39 4.256 0.509 6.100 1.00 0.00 C ATOM 650 O GLY A 39 3.562 0.060 5.208 1.00 0.00 O ATOM 0 H GLY A 39 5.899 1.393 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.823 1.733 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.194 0.021 5.280 1.00 0.00 H new ATOM 654 N ARG A 40 3.808 0.756 7.312 1.00 0.00 N ATOM 655 CA ARG A 40 2.380 0.479 7.653 1.00 0.00 C ATOM 656 C ARG A 40 1.667 1.755 8.102 1.00 0.00 C ATOM 657 O ARG A 40 0.539 1.714 8.557 1.00 0.00 O ATOM 658 CB ARG A 40 2.350 -0.541 8.805 1.00 0.00 C ATOM 659 CG ARG A 40 3.174 -0.004 9.979 1.00 0.00 C ATOM 660 CD ARG A 40 3.255 -1.079 11.065 1.00 0.00 C ATOM 661 NE ARG A 40 3.967 -0.519 12.249 1.00 0.00 N ATOM 662 CZ ARG A 40 4.875 -1.238 12.850 1.00 0.00 C ATOM 663 NH1 ARG A 40 6.084 -1.265 12.359 1.00 0.00 N ATOM 664 NH2 ARG A 40 4.543 -1.905 13.921 1.00 0.00 N ATOM 0 H ARG A 40 4.370 1.136 8.074 1.00 0.00 H new ATOM 0 HA ARG A 40 1.870 0.092 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.322 -0.721 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.753 -1.497 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.175 0.268 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.715 0.900 10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.254 -1.405 11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.782 -1.956 10.689 1.00 0.00 H new ATOM 0 HE ARG A 40 3.746 0.418 12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.306 -0.730 11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.807 -1.821 12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.587 -1.859 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.239 -2.473 14.405 1.00 0.00 H new ATOM 678 N ALA A 41 2.339 2.864 7.963 1.00 0.00 N ATOM 679 CA ALA A 41 1.728 4.156 8.371 1.00 0.00 C ATOM 680 C ALA A 41 1.191 4.100 9.801 1.00 0.00 C ATOM 681 O ALA A 41 0.101 3.617 10.042 1.00 0.00 O ATOM 682 CB ALA A 41 0.562 4.468 7.419 1.00 0.00 C ATOM 0 H ALA A 41 3.284 2.930 7.585 1.00 0.00 H new ATOM 0 HA ALA A 41 2.496 4.928 8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.102 5.414 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.936 4.540 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.180 3.671 7.479 1.00 0.00 H new ATOM 688 N GLN A 42 1.970 4.602 10.722 1.00 0.00 N ATOM 689 CA GLN A 42 1.539 4.598 12.141 1.00 0.00 C ATOM 690 C GLN A 42 0.777 5.876 12.432 1.00 0.00 C ATOM 691 O GLN A 42 1.331 6.946 12.319 1.00 0.00 O ATOM 692 CB GLN A 42 2.803 4.563 13.011 1.00 0.00 C ATOM 693 CG GLN A 42 2.656 3.476 14.075 1.00 0.00 C ATOM 694 CD GLN A 42 1.511 3.844 15.019 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.468 4.306 14.597 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.661 3.656 16.302 1.00 0.00 N ATOM 0 H GLN A 42 2.887 5.014 10.548 1.00 0.00 H new ATOM 0 HA GLN A 42 0.901 3.739 12.348 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.678 4.366 12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.959 5.532 13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.458 2.514 13.603 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.585 3.371 14.635 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.533 3.269 16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.906 3.896 16.944 1.00 0.00 H new ATOM 705 N CYS A 43 -0.483 5.753 12.807 1.00 0.00 N ATOM 706 CA CYS A 43 -1.273 6.987 13.099 1.00 0.00 C ATOM 707 C CYS A 43 -1.845 7.033 14.492 1.00 0.00 C ATOM 708 O CYS A 43 -2.124 6.022 15.109 1.00 0.00 O ATOM 709 CB CYS A 43 -2.442 7.068 12.110 1.00 0.00 C ATOM 710 SG CYS A 43 -2.092 6.763 10.356 1.00 0.00 S ATOM 0 H CYS A 43 -0.982 4.871 12.919 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.582 7.824 13.004 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.200 6.353 12.429 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.884 8.061 12.195 1.00 0.00 H new ATOM 715 N HIS A 44 -2.001 8.242 14.956 1.00 0.00 N ATOM 716 CA HIS A 44 -2.557 8.467 16.310 1.00 0.00 C ATOM 717 C HIS A 44 -3.387 9.742 16.290 1.00 0.00 C ATOM 718 O HIS A 44 -2.993 10.726 15.697 1.00 0.00 O ATOM 719 CB HIS A 44 -1.411 8.583 17.336 1.00 0.00 C ATOM 720 CG HIS A 44 -0.755 9.962 17.286 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.439 10.173 16.977 1.00 0.00 N ATOM 722 CD2 HIS A 44 -1.271 11.196 17.622 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.738 11.399 17.082 1.00 0.00 C ATOM 724 NE2 HIS A 44 -0.296 12.139 17.490 1.00 0.00 N ATOM 0 H HIS A 44 -1.762 9.091 14.444 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.189 7.627 16.599 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.798 8.399 18.338 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.663 7.815 17.137 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.286 11.385 17.939 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.717 11.800 16.866 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.343 13.144 17.658 1.00 0.00 H new ATOM 732 N SER A 45 -4.519 9.709 16.935 1.00 0.00 N ATOM 733 CA SER A 45 -5.385 10.920 16.950 1.00 0.00 C ATOM 734 C SER A 45 -5.177 11.789 18.182 1.00 0.00 C ATOM 735 O SER A 45 -5.422 11.366 19.295 1.00 0.00 O ATOM 736 CB SER A 45 -6.849 10.456 16.928 1.00 0.00 C ATOM 737 OG SER A 45 -7.095 10.023 18.258 1.00 0.00 O ATOM 0 H SER A 45 -4.880 8.904 17.448 1.00 0.00 H new ATOM 0 HA SER A 45 -5.125 11.523 16.080 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.520 11.266 16.642 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.001 9.649 16.211 1.00 0.00 H new ATOM 0 HG SER A 45 -6.244 9.941 18.738 1.00 0.00 H new ATOM 743 N VAL A 46 -4.723 12.995 17.943 1.00 0.00 N ATOM 744 CA VAL A 46 -4.480 13.949 19.060 1.00 0.00 C ATOM 745 C VAL A 46 -5.334 15.232 18.831 1.00 0.00 C ATOM 746 O VAL A 46 -5.369 15.737 17.731 1.00 0.00 O ATOM 747 CB VAL A 46 -2.995 14.350 19.029 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.738 15.219 17.795 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.662 15.152 20.286 1.00 0.00 C ATOM 0 H VAL A 46 -4.510 13.358 17.014 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.744 13.489 20.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.372 13.456 18.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.687 15.508 17.766 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.985 14.655 16.895 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.359 16.114 17.844 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.610 15.438 20.267 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.281 16.048 20.320 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.857 14.543 21.169 1.00 0.00 H new ATOM 759 N PRO A 47 -6.020 15.748 19.866 1.00 0.00 N ATOM 760 CA PRO A 47 -6.834 16.955 19.693 1.00 0.00 C ATOM 761 C PRO A 47 -5.997 18.140 19.231 1.00 0.00 C ATOM 762 O PRO A 47 -4.799 18.033 19.062 1.00 0.00 O ATOM 763 CB PRO A 47 -7.412 17.257 21.087 1.00 0.00 C ATOM 764 CG PRO A 47 -6.873 16.168 22.057 1.00 0.00 C ATOM 765 CD PRO A 47 -6.035 15.186 21.228 1.00 0.00 C ATOM 0 HA PRO A 47 -7.601 16.796 18.935 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.112 18.251 21.420 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.502 17.244 21.062 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.268 16.620 22.843 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.697 15.650 22.548 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.025 15.095 21.628 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.473 14.188 21.238 1.00 0.00 H new ATOM 773 N VAL A 48 -6.651 19.257 19.041 1.00 0.00 N ATOM 774 CA VAL A 48 -5.926 20.465 18.592 1.00 0.00 C ATOM 775 C VAL A 48 -5.350 21.241 19.775 1.00 0.00 C ATOM 776 O VAL A 48 -4.374 21.950 19.635 1.00 0.00 O ATOM 777 CB VAL A 48 -6.922 21.362 17.852 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.985 21.860 18.836 1.00 0.00 C ATOM 779 CG2 VAL A 48 -6.178 22.563 17.258 1.00 0.00 C ATOM 0 H VAL A 48 -7.654 19.377 19.179 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.099 20.165 17.948 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.401 20.796 17.053 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.695 22.499 18.312 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.512 21.007 19.265 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.505 22.428 19.633 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.884 23.204 16.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.703 23.129 18.059 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.417 22.211 16.562 1.00 0.00 H new ATOM 789 N LYS A 49 -5.971 21.096 20.920 1.00 0.00 N ATOM 790 CA LYS A 49 -5.473 21.819 22.124 1.00 0.00 C ATOM 791 C LYS A 49 -5.550 20.931 23.356 1.00 0.00 C ATOM 792 O LYS A 49 -6.217 21.256 24.319 1.00 0.00 O ATOM 793 CB LYS A 49 -6.353 23.060 22.353 1.00 0.00 C ATOM 794 CG LYS A 49 -5.591 24.060 23.228 1.00 0.00 C ATOM 795 CD LYS A 49 -6.516 25.228 23.579 1.00 0.00 C ATOM 796 CE LYS A 49 -5.671 26.405 24.071 1.00 0.00 C ATOM 797 NZ LYS A 49 -6.542 27.559 24.430 1.00 0.00 N ATOM 0 H LYS A 49 -6.794 20.513 21.070 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.434 22.104 21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.613 23.518 21.399 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.288 22.774 22.835 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.240 23.572 24.137 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.709 24.424 22.701 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.098 25.522 22.706 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.226 24.927 24.349 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.084 26.102 24.938 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.965 26.702 23.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.952 28.349 24.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.084 27.858 23.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.199 27.276 25.185 1.00 0.00 H new ATOM 811 N SER A 50 -4.856 19.826 23.303 1.00 0.00 N ATOM 812 CA SER A 50 -4.866 18.892 24.453 1.00 0.00 C ATOM 813 C SER A 50 -6.268 18.752 25.038 1.00 0.00 C ATOM 814 O SER A 50 -6.341 18.309 26.173 1.00 0.00 O ATOM 815 CB SER A 50 -3.929 19.458 25.526 1.00 0.00 C ATOM 816 OG SER A 50 -4.800 20.076 26.460 1.00 0.00 O ATOM 817 OXT SER A 50 -7.190 19.093 24.317 1.00 0.00 O ATOM 0 H SER A 50 -4.284 19.534 22.510 1.00 0.00 H new ATOM 0 HA SER A 50 -4.539 17.907 24.120 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.338 18.671 25.994 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.226 20.175 25.102 1.00 0.00 H new ATOM 0 HG SER A 50 -5.277 19.387 26.968 1.00 0.00 H new TER 823 SER A 50