USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 716 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 25 HIS : no HE2:sc= -1.8 K(o=-3,f=-9.8!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -1.2! C(o=-3!,f=-6.4!) USER MOD Set 2.1: A 69 HIS : no HE2:sc= -0.0234 K(o=-1.8,f=-3.3) USER MOD Set 2.2: A 106 HIS : no HD1:sc= -1.73 X(o=-1.8,f=-1.4) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -1.8 K(o=-2.3,f=-2.9!) USER MOD Set 3.2: A 52 HIS : no HE2:sc= 0.0842! C(o=-2.3!,f=-7.4!) USER MOD Set 3.3: A 76 HIS : no HD1:sc= -0.554 X(o=-2.3,f=-2.5) USER MOD Set 4.1: A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -2.85 (180deg=-3.37!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.532 USER MOD Single : A 15 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0439 USER MOD Single : A 32 THR OG1 : rot -170:sc=-0.00533 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 175:sc= -1.07 USER MOD Single : A 48 SER OG : rot -150:sc= -0.364 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -19:sc= -0.722! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.108) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 138:sc= -4.48! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0502 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -169:sc= 1.35 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.314 10.558 -14.932 1.00 1.00 N ATOM 26 CA ALA A 3 2.201 9.900 -15.595 1.00 1.00 C ATOM 27 C ALA A 3 1.940 8.550 -14.924 1.00 1.00 C ATOM 28 O ALA A 3 2.833 7.709 -14.844 1.00 1.00 O ATOM 29 CB ALA A 3 2.507 9.760 -17.087 1.00 1.00 C ATOM 0 HA ALA A 3 1.292 10.495 -15.503 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.672 9.266 -17.585 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.656 10.748 -17.522 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.411 9.165 -17.219 1.00 1.00 H new ATOM 35 N VAL A 4 0.710 8.385 -14.460 1.00 1.00 N ATOM 36 CA VAL A 4 0.319 7.151 -13.799 1.00 1.00 C ATOM 37 C VAL A 4 0.543 5.975 -14.750 1.00 1.00 C ATOM 38 O VAL A 4 -0.054 5.878 -15.821 1.00 1.00 O ATOM 39 CB VAL A 4 -1.126 7.256 -13.307 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.109 7.207 -14.478 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.438 6.162 -12.283 1.00 1.00 C ATOM 0 H VAL A 4 -0.029 9.085 -14.529 1.00 1.00 H new ATOM 0 HA VAL A 4 0.936 6.978 -12.918 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.242 8.220 -12.813 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.129 7.283 -14.101 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.910 8.037 -15.155 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.990 6.265 -15.014 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.471 6.260 -11.950 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.295 5.183 -12.741 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.770 6.263 -11.428 1.00 1.00 H new ATOM 51 N PRO A 5 1.429 5.069 -14.330 1.00 1.00 N ATOM 52 CA PRO A 5 1.792 3.879 -15.068 1.00 1.00 C ATOM 53 C PRO A 5 0.543 3.251 -15.670 1.00 1.00 C ATOM 54 O PRO A 5 -0.437 3.069 -14.949 1.00 1.00 O ATOM 55 CB PRO A 5 2.425 2.953 -14.032 1.00 1.00 C ATOM 56 CG PRO A 5 3.066 3.930 -13.069 1.00 1.00 C ATOM 57 CD PRO A 5 2.148 5.151 -13.077 1.00 1.00 C ATOM 0 HA PRO A 5 2.475 4.083 -15.893 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.681 2.326 -13.540 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.159 2.284 -14.480 1.00 1.00 H new ATOM 0 HG2 PRO A 5 3.147 3.503 -12.069 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.075 4.193 -13.386 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.465 5.137 -12.228 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.721 6.076 -13.010 1.00 1.00 H new ATOM 65 N ASP A 6 0.597 2.937 -16.956 1.00 1.00 N ATOM 66 CA ASP A 6 -0.542 2.335 -17.628 1.00 1.00 C ATOM 67 C ASP A 6 -0.691 0.883 -17.167 1.00 1.00 C ATOM 68 O ASP A 6 -1.712 0.248 -17.425 1.00 1.00 O ATOM 69 CB ASP A 6 -0.348 2.331 -19.146 1.00 1.00 C ATOM 70 CG ASP A 6 0.760 1.406 -19.654 1.00 1.00 C ATOM 71 OD1 ASP A 6 0.489 0.335 -20.217 1.00 1.00 O ATOM 72 OD2 ASP A 6 1.961 1.829 -19.448 1.00 1.00 O ATOM 0 H ASP A 6 1.412 3.088 -17.551 1.00 1.00 H new ATOM 0 HA ASP A 6 -1.428 2.920 -17.379 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -1.287 2.040 -19.616 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -0.130 3.348 -19.472 1.00 1.00 H new ATOM 78 N LYS A 7 0.343 0.401 -16.493 1.00 1.00 N ATOM 79 CA LYS A 7 0.340 -0.964 -15.993 1.00 1.00 C ATOM 80 C LYS A 7 0.613 -0.952 -14.488 1.00 1.00 C ATOM 81 O LYS A 7 1.210 -0.028 -13.941 1.00 1.00 O ATOM 82 CB LYS A 7 1.319 -1.828 -16.790 1.00 1.00 C ATOM 83 CG LYS A 7 2.583 -1.040 -17.144 1.00 1.00 C ATOM 84 CD LYS A 7 3.811 -1.952 -17.157 1.00 1.00 C ATOM 85 CE LYS A 7 4.182 -2.352 -18.586 1.00 1.00 C ATOM 86 NZ LYS A 7 5.479 -1.752 -18.972 1.00 1.00 N ATOM 0 H LYS A 7 1.188 0.931 -16.281 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.640 -1.420 -16.135 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.587 -2.710 -16.209 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.839 -2.181 -17.703 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.463 -0.572 -18.121 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.730 -0.237 -16.422 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.652 -1.442 -16.688 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.611 -2.846 -16.566 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.240 -3.438 -18.663 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.404 -2.025 -19.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.716 -2.034 -19.945 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.412 -0.716 -18.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 6.222 -2.085 -18.325 1.00 1.00 H new ATOM 99 N PRO A 8 0.156 -2.016 -13.823 1.00 1.00 N ATOM 100 CA PRO A 8 0.305 -2.212 -12.398 1.00 1.00 C ATOM 101 C PRO A 8 1.737 -2.623 -12.085 1.00 1.00 C ATOM 102 O PRO A 8 2.499 -2.872 -13.017 1.00 1.00 O ATOM 103 CB PRO A 8 -0.674 -3.333 -12.053 1.00 1.00 C ATOM 104 CG PRO A 8 -0.567 -4.215 -13.372 1.00 1.00 C ATOM 105 CD PRO A 8 -0.550 -3.120 -14.436 1.00 1.00 C ATOM 0 HA PRO A 8 0.100 -1.309 -11.822 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.378 -3.883 -11.160 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.685 -2.964 -11.880 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.336 -4.826 -13.391 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.413 -4.893 -13.488 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.046 -3.457 -15.342 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.561 -2.832 -14.723 1.00 1.00 H new ATOM 113 N VAL A 9 2.071 -2.684 -10.805 1.00 1.00 N ATOM 114 CA VAL A 9 3.413 -3.064 -10.399 1.00 1.00 C ATOM 115 C VAL A 9 3.329 -4.138 -9.313 1.00 1.00 C ATOM 116 O VAL A 9 2.429 -4.108 -8.474 1.00 1.00 O ATOM 117 CB VAL A 9 4.197 -1.827 -9.957 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.784 -1.090 -11.163 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.321 -0.895 -9.118 1.00 1.00 C ATOM 0 H VAL A 9 1.435 -2.477 -10.035 1.00 1.00 H new ATOM 0 HA VAL A 9 3.958 -3.494 -11.239 1.00 1.00 H new ATOM 0 HB VAL A 9 5.026 -2.160 -9.333 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.336 -0.215 -10.821 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.457 -1.755 -11.704 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.977 -0.774 -11.824 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.902 -0.023 -8.816 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.463 -0.573 -9.708 1.00 1.00 H new ATOM 0 HG23 VAL A 9 2.973 -1.424 -8.231 1.00 1.00 H new ATOM 129 N GLU A 10 4.278 -5.061 -9.362 1.00 1.00 N ATOM 130 CA GLU A 10 4.321 -6.142 -8.392 1.00 1.00 C ATOM 131 C GLU A 10 5.114 -5.714 -7.155 1.00 1.00 C ATOM 132 O GLU A 10 6.110 -5.001 -7.268 1.00 1.00 O ATOM 133 CB GLU A 10 4.914 -7.410 -9.011 1.00 1.00 C ATOM 134 CG GLU A 10 6.441 -7.400 -8.925 1.00 1.00 C ATOM 135 CD GLU A 10 7.025 -6.198 -9.671 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.675 -5.964 -10.837 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.869 -5.495 -8.995 1.00 1.00 O ATOM 0 H GLU A 10 5.023 -5.083 -10.058 1.00 1.00 H new ATOM 0 HA GLU A 10 3.300 -6.369 -8.085 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.523 -8.287 -8.496 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.605 -7.489 -10.053 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.750 -7.369 -7.880 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.839 -8.323 -9.347 1.00 1.00 H new ATOM 145 N VAL A 11 4.641 -6.166 -6.003 1.00 1.00 N ATOM 146 CA VAL A 11 5.293 -5.839 -4.747 1.00 1.00 C ATOM 147 C VAL A 11 5.809 -7.123 -4.095 1.00 1.00 C ATOM 148 O VAL A 11 5.297 -7.548 -3.060 1.00 1.00 O ATOM 149 CB VAL A 11 4.333 -5.056 -3.848 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.066 -4.481 -2.634 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.623 -3.953 -4.634 1.00 1.00 C ATOM 0 H VAL A 11 3.814 -6.756 -5.913 1.00 1.00 H new ATOM 0 HA VAL A 11 6.155 -5.194 -4.921 1.00 1.00 H new ATOM 0 HB VAL A 11 3.574 -5.748 -3.484 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.362 -3.929 -2.011 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.503 -5.294 -2.054 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.856 -3.810 -2.970 1.00 1.00 H new ATOM 0 HG21 VAL A 11 2.947 -3.412 -3.972 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.362 -3.263 -5.041 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.053 -4.397 -5.450 1.00 1.00 H new ATOM 161 N LYS A 12 6.817 -7.706 -4.727 1.00 1.00 N ATOM 162 CA LYS A 12 7.408 -8.934 -4.222 1.00 1.00 C ATOM 163 C LYS A 12 8.351 -8.601 -3.064 1.00 1.00 C ATOM 164 O LYS A 12 9.528 -8.316 -3.280 1.00 1.00 O ATOM 165 CB LYS A 12 8.078 -9.712 -5.356 1.00 1.00 C ATOM 166 CG LYS A 12 9.261 -8.933 -5.933 1.00 1.00 C ATOM 167 CD LYS A 12 9.467 -9.263 -7.412 1.00 1.00 C ATOM 168 CE LYS A 12 9.494 -7.990 -8.260 1.00 1.00 C ATOM 169 NZ LYS A 12 9.231 -8.307 -9.681 1.00 1.00 N ATOM 0 H LYS A 12 7.240 -7.351 -5.585 1.00 1.00 H new ATOM 0 HA LYS A 12 6.636 -9.594 -3.826 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.421 -10.678 -4.986 1.00 1.00 H new ATOM 0 HB3 LYS A 12 7.351 -9.912 -6.143 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.088 -7.863 -5.816 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.166 -9.172 -5.374 1.00 1.00 H new ATOM 0 HD2 LYS A 12 10.402 -9.809 -7.540 1.00 1.00 H new ATOM 0 HD3 LYS A 12 8.666 -9.917 -7.757 1.00 1.00 H new ATOM 0 HE2 LYS A 12 8.746 -7.287 -7.894 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.464 -7.503 -8.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 8.936 -7.444 -10.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 10.097 -8.681 -10.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 8.475 -9.019 -9.744 1.00 1.00 H new ATOM 182 N GLY A 13 7.799 -8.649 -1.861 1.00 1.00 N ATOM 183 CA GLY A 13 8.576 -8.356 -0.669 1.00 1.00 C ATOM 184 C GLY A 13 9.438 -9.555 -0.268 1.00 1.00 C ATOM 185 O GLY A 13 10.146 -10.121 -1.100 1.00 1.00 O ATOM 0 H GLY A 13 6.823 -8.886 -1.686 1.00 1.00 H new ATOM 0 HA2 GLY A 13 9.213 -7.490 -0.849 1.00 1.00 H new ATOM 0 HA3 GLY A 13 7.907 -8.094 0.151 1.00 1.00 H new ATOM 189 N SER A 14 9.350 -9.908 1.006 1.00 1.00 N ATOM 190 CA SER A 14 10.113 -11.029 1.527 1.00 1.00 C ATOM 191 C SER A 14 9.745 -12.308 0.772 1.00 1.00 C ATOM 192 O SER A 14 10.515 -12.786 -0.060 1.00 1.00 O ATOM 193 CB SER A 14 9.873 -11.210 3.027 1.00 1.00 C ATOM 194 OG SER A 14 9.589 -12.565 3.362 1.00 1.00 O ATOM 0 H SER A 14 8.761 -9.437 1.693 1.00 1.00 H new ATOM 0 HA SER A 14 11.172 -10.819 1.380 1.00 1.00 H new ATOM 0 HB2 SER A 14 10.753 -10.877 3.578 1.00 1.00 H new ATOM 0 HB3 SER A 14 9.043 -10.577 3.340 1.00 1.00 H new ATOM 0 HG SER A 14 9.444 -12.640 4.328 1.00 1.00 H new ATOM 200 N GLN A 15 8.568 -12.826 1.090 1.00 1.00 N ATOM 201 CA GLN A 15 8.088 -14.041 0.453 1.00 1.00 C ATOM 202 C GLN A 15 6.568 -13.986 0.283 1.00 1.00 C ATOM 203 O GLN A 15 5.872 -14.955 0.584 1.00 1.00 O ATOM 204 CB GLN A 15 8.507 -15.279 1.247 1.00 1.00 C ATOM 205 CG GLN A 15 8.252 -16.557 0.445 1.00 1.00 C ATOM 206 CD GLN A 15 9.367 -17.580 0.675 1.00 1.00 C ATOM 207 OE1 GLN A 15 9.130 -18.733 0.997 1.00 1.00 O ATOM 208 NE2 GLN A 15 10.592 -17.096 0.493 1.00 1.00 N ATOM 0 H GLN A 15 7.932 -12.427 1.780 1.00 1.00 H new ATOM 0 HA GLN A 15 8.542 -14.114 -0.535 1.00 1.00 H new ATOM 0 HB2 GLN A 15 9.564 -15.211 1.503 1.00 1.00 H new ATOM 0 HB3 GLN A 15 7.954 -15.318 2.185 1.00 1.00 H new ATOM 0 HG2 GLN A 15 7.293 -16.987 0.735 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.186 -16.318 -0.616 1.00 1.00 H new ATOM 0 HE21 GLN A 15 10.720 -16.121 0.224 1.00 1.00 H new ATOM 0 HE22 GLN A 15 11.404 -17.700 0.623 1.00 1.00 H new ATOM 217 N LYS A 16 6.099 -12.845 -0.198 1.00 1.00 N ATOM 218 CA LYS A 16 4.675 -12.651 -0.411 1.00 1.00 C ATOM 219 C LYS A 16 4.465 -11.690 -1.583 1.00 1.00 C ATOM 220 O LYS A 16 4.521 -10.474 -1.410 1.00 1.00 O ATOM 221 CB LYS A 16 3.996 -12.200 0.884 1.00 1.00 C ATOM 222 CG LYS A 16 2.919 -13.198 1.314 1.00 1.00 C ATOM 223 CD LYS A 16 2.579 -13.032 2.797 1.00 1.00 C ATOM 224 CE LYS A 16 1.178 -13.566 3.101 1.00 1.00 C ATOM 225 NZ LYS A 16 1.113 -14.095 4.482 1.00 1.00 N ATOM 0 H LYS A 16 6.680 -12.044 -0.447 1.00 1.00 H new ATOM 0 HA LYS A 16 4.199 -13.593 -0.682 1.00 1.00 H new ATOM 0 HB2 LYS A 16 4.741 -12.100 1.674 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.549 -11.216 0.741 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.022 -13.052 0.713 1.00 1.00 H new ATOM 0 HG3 LYS A 16 3.265 -14.215 1.128 1.00 1.00 H new ATOM 0 HD2 LYS A 16 3.314 -13.562 3.404 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.638 -11.979 3.072 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.444 -12.770 2.975 1.00 1.00 H new ATOM 0 HE3 LYS A 16 0.920 -14.352 2.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 0.155 -14.453 4.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 1.800 -14.868 4.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 1.338 -13.335 5.156 1.00 1.00 H new ATOM 238 N THR A 17 4.227 -12.273 -2.749 1.00 1.00 N ATOM 239 CA THR A 17 4.008 -11.483 -3.949 1.00 1.00 C ATOM 240 C THR A 17 2.615 -10.852 -3.925 1.00 1.00 C ATOM 241 O THR A 17 1.626 -11.531 -3.653 1.00 1.00 O ATOM 242 CB THR A 17 4.245 -12.388 -5.160 1.00 1.00 C ATOM 243 OG1 THR A 17 5.465 -13.059 -4.859 1.00 1.00 O ATOM 244 CG2 THR A 17 4.558 -11.596 -6.431 1.00 1.00 C ATOM 0 H THR A 17 4.181 -13.282 -2.888 1.00 1.00 H new ATOM 0 HA THR A 17 4.707 -10.649 -4.007 1.00 1.00 H new ATOM 0 HB THR A 17 3.364 -13.008 -5.327 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.693 -13.668 -5.592 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.718 -12.286 -7.260 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.722 -10.936 -6.664 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.458 -11.001 -6.276 1.00 1.00 H new ATOM 252 N VAL A 18 2.581 -9.559 -4.214 1.00 1.00 N ATOM 253 CA VAL A 18 1.325 -8.828 -4.229 1.00 1.00 C ATOM 254 C VAL A 18 1.403 -7.712 -5.272 1.00 1.00 C ATOM 255 O VAL A 18 2.328 -6.901 -5.251 1.00 1.00 O ATOM 256 CB VAL A 18 1.003 -8.313 -2.825 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.361 -7.621 -2.795 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.066 -9.445 -1.798 1.00 1.00 C ATOM 0 H VAL A 18 3.403 -8.999 -4.440 1.00 1.00 H new ATOM 0 HA VAL A 18 0.504 -9.485 -4.516 1.00 1.00 H new ATOM 0 HB VAL A 18 1.759 -7.575 -2.557 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.566 -7.264 -1.786 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.356 -6.777 -3.484 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.135 -8.328 -3.094 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.833 -9.052 -0.808 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.342 -10.216 -2.062 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.068 -9.875 -1.791 1.00 1.00 H new ATOM 268 N MET A 19 0.419 -7.705 -6.160 1.00 1.00 N ATOM 269 CA MET A 19 0.364 -6.702 -7.209 1.00 1.00 C ATOM 270 C MET A 19 -0.678 -5.629 -6.887 1.00 1.00 C ATOM 271 O MET A 19 -1.799 -5.946 -6.493 1.00 1.00 O ATOM 272 CB MET A 19 0.013 -7.372 -8.539 1.00 1.00 C ATOM 273 CG MET A 19 1.195 -8.186 -9.071 1.00 1.00 C ATOM 274 SD MET A 19 0.686 -9.146 -10.487 1.00 1.00 S ATOM 275 CE MET A 19 2.267 -9.394 -11.277 1.00 1.00 C ATOM 0 H MET A 19 -0.347 -8.379 -6.174 1.00 1.00 H new ATOM 0 HA MET A 19 1.341 -6.224 -7.280 1.00 1.00 H new ATOM 0 HB2 MET A 19 -0.851 -8.023 -8.406 1.00 1.00 H new ATOM 0 HB3 MET A 19 -0.269 -6.614 -9.269 1.00 1.00 H new ATOM 0 HG2 MET A 19 2.011 -7.519 -9.348 1.00 1.00 H new ATOM 0 HG3 MET A 19 1.573 -8.846 -8.291 1.00 1.00 H new ATOM 0 HE1 MET A 19 2.132 -9.981 -12.186 1.00 1.00 H new ATOM 0 HE2 MET A 19 2.703 -8.428 -11.530 1.00 1.00 H new ATOM 0 HE3 MET A 19 2.934 -9.926 -10.598 1.00 1.00 H new ATOM 285 N PHE A 20 -0.271 -4.381 -7.067 1.00 1.00 N ATOM 286 CA PHE A 20 -1.155 -3.259 -6.800 1.00 1.00 C ATOM 287 C PHE A 20 -1.475 -2.496 -8.087 1.00 1.00 C ATOM 288 O PHE A 20 -0.597 -1.989 -8.781 1.00 1.00 O ATOM 289 CB PHE A 20 -0.417 -2.326 -5.838 1.00 1.00 C ATOM 290 CG PHE A 20 -1.000 -0.913 -5.773 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.078 -0.658 -4.984 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.440 0.088 -6.503 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.619 0.654 -4.923 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.980 1.400 -6.442 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.058 1.655 -5.653 1.00 1.00 C ATOM 0 H PHE A 20 0.660 -4.122 -7.395 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.094 -3.617 -6.378 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.435 -2.762 -4.839 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.629 -2.263 -6.139 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.523 -1.453 -4.404 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.416 -0.115 -7.130 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.476 0.857 -4.297 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.535 2.195 -7.022 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.469 2.653 -5.606 1.00 1.00 H new ATOM 305 N PRO A 21 -2.773 -2.424 -8.393 1.00 1.00 N ATOM 306 CA PRO A 21 -3.300 -1.751 -9.561 1.00 1.00 C ATOM 307 C PRO A 21 -3.516 -0.278 -9.246 1.00 1.00 C ATOM 308 O PRO A 21 -3.996 0.040 -8.160 1.00 1.00 O ATOM 309 CB PRO A 21 -4.627 -2.450 -9.849 1.00 1.00 C ATOM 310 CG PRO A 21 -5.112 -2.729 -8.384 1.00 1.00 C ATOM 311 CD PRO A 21 -3.832 -3.009 -7.600 1.00 1.00 C ATOM 0 HA PRO A 21 -2.628 -1.798 -10.418 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.320 -1.817 -10.404 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.499 -3.365 -10.427 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.648 -1.873 -7.974 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.793 -3.579 -8.347 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.873 -2.564 -6.606 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.678 -4.080 -7.464 1.00 1.00 H new ATOM 319 N HIS A 22 -3.160 0.593 -10.191 1.00 1.00 N ATOM 320 CA HIS A 22 -3.305 2.036 -10.033 1.00 1.00 C ATOM 321 C HIS A 22 -4.703 2.473 -10.507 1.00 1.00 C ATOM 322 O HIS A 22 -5.276 3.414 -9.958 1.00 1.00 O ATOM 323 CB HIS A 22 -2.145 2.734 -10.759 1.00 1.00 C ATOM 324 CG HIS A 22 -0.919 3.048 -9.934 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.205 2.329 -10.012 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.678 4.034 -9.006 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.111 2.845 -9.167 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.618 3.900 -8.520 1.00 1.00 N ATOM 0 H HIS A 22 -2.763 0.315 -11.088 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.242 2.332 -8.986 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.840 2.106 -11.596 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.520 3.667 -11.181 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.384 4.793 -8.703 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.109 2.456 -9.030 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.086 4.480 -7.824 1.00 1.00 H new ATOM 336 N ALA A 23 -5.206 1.772 -11.512 1.00 1.00 N ATOM 337 CA ALA A 23 -6.518 2.079 -12.056 1.00 1.00 C ATOM 338 C ALA A 23 -7.517 2.237 -10.908 1.00 1.00 C ATOM 339 O ALA A 23 -8.202 3.249 -10.774 1.00 1.00 O ATOM 340 CB ALA A 23 -6.932 0.983 -13.041 1.00 1.00 C ATOM 0 H ALA A 23 -4.729 0.992 -11.964 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.495 3.020 -12.606 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.916 1.213 -13.449 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.206 0.930 -13.852 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.969 0.024 -12.524 1.00 1.00 H new ATOM 346 N PRO A 24 -7.584 1.199 -10.071 1.00 1.00 N ATOM 347 CA PRO A 24 -8.457 1.136 -8.918 1.00 1.00 C ATOM 348 C PRO A 24 -8.056 2.208 -7.915 1.00 1.00 C ATOM 349 O PRO A 24 -8.744 2.378 -6.911 1.00 1.00 O ATOM 350 CB PRO A 24 -8.243 -0.262 -8.341 1.00 1.00 C ATOM 351 CG PRO A 24 -7.598 -1.083 -9.476 1.00 1.00 C ATOM 352 CD PRO A 24 -6.793 -0.005 -10.198 1.00 1.00 C ATOM 0 HA PRO A 24 -9.504 1.310 -9.168 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.596 -0.230 -7.464 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.188 -0.705 -8.025 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.965 -1.885 -9.096 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.342 -1.545 -10.125 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.808 0.120 -9.748 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.635 -0.265 -11.245 1.00 1.00 H new ATOM 360 N HIS A 25 -6.956 2.908 -8.195 1.00 1.00 N ATOM 361 CA HIS A 25 -6.448 3.965 -7.328 1.00 1.00 C ATOM 362 C HIS A 25 -6.128 5.217 -8.166 1.00 1.00 C ATOM 363 O HIS A 25 -5.143 5.904 -7.900 1.00 1.00 O ATOM 364 CB HIS A 25 -5.256 3.420 -6.527 1.00 1.00 C ATOM 365 CG HIS A 25 -5.517 2.211 -5.659 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.325 0.961 -6.090 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.962 2.105 -4.363 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.640 0.109 -5.101 1.00 1.00 C ATOM 369 NE2 HIS A 25 -6.039 0.763 -4.012 1.00 1.00 N ATOM 0 H HIS A 25 -6.393 2.756 -9.032 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.197 4.279 -6.601 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.461 3.170 -7.229 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.879 4.221 -5.891 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.994 0.697 -7.018 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.213 2.935 -3.719 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.578 -0.966 -5.179 1.00 1.00 H new ATOM 377 N GLU A 26 -6.977 5.470 -9.152 1.00 1.00 N ATOM 378 CA GLU A 26 -6.793 6.622 -10.019 1.00 1.00 C ATOM 379 C GLU A 26 -7.700 7.771 -9.574 1.00 1.00 C ATOM 380 O GLU A 26 -7.776 8.801 -10.243 1.00 1.00 O ATOM 381 CB GLU A 26 -7.053 6.254 -11.481 1.00 1.00 C ATOM 382 CG GLU A 26 -7.157 7.507 -12.352 1.00 1.00 C ATOM 383 CD GLU A 26 -6.768 7.203 -13.800 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.900 6.352 -14.043 1.00 1.00 O ATOM 385 OE2 GLU A 26 -7.404 7.887 -14.691 1.00 1.00 O ATOM 0 H GLU A 26 -7.793 4.898 -9.369 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.757 6.951 -9.939 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.248 5.618 -11.848 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.975 5.677 -11.556 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.176 7.893 -12.319 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.507 8.286 -11.953 1.00 1.00 H new ATOM 393 N LYS A 27 -8.364 7.557 -8.448 1.00 1.00 N ATOM 394 CA LYS A 27 -9.262 8.562 -7.906 1.00 1.00 C ATOM 395 C LYS A 27 -8.752 9.009 -6.534 1.00 1.00 C ATOM 396 O LYS A 27 -9.317 9.914 -5.922 1.00 1.00 O ATOM 397 CB LYS A 27 -10.700 8.041 -7.887 1.00 1.00 C ATOM 398 CG LYS A 27 -11.456 8.472 -9.146 1.00 1.00 C ATOM 399 CD LYS A 27 -12.539 9.499 -8.812 1.00 1.00 C ATOM 400 CE LYS A 27 -11.923 10.786 -8.261 1.00 1.00 C ATOM 401 NZ LYS A 27 -12.582 11.971 -8.853 1.00 1.00 N ATOM 0 H LYS A 27 -8.298 6.702 -7.896 1.00 1.00 H new ATOM 0 HA LYS A 27 -9.275 9.445 -8.545 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.696 6.953 -7.816 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -11.215 8.416 -7.003 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.757 8.897 -9.866 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.910 7.601 -9.618 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -13.120 9.724 -9.706 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -13.229 9.080 -8.080 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.026 10.810 -7.176 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -10.856 10.808 -8.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -12.152 12.836 -8.468 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -12.462 11.955 -9.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.596 11.956 -8.622 1.00 1.00 H new ATOM 414 N VAL A 28 -7.689 8.353 -6.091 1.00 1.00 N ATOM 415 CA VAL A 28 -7.096 8.672 -4.803 1.00 1.00 C ATOM 416 C VAL A 28 -5.808 9.468 -5.022 1.00 1.00 C ATOM 417 O VAL A 28 -4.903 9.012 -5.719 1.00 1.00 O ATOM 418 CB VAL A 28 -6.877 7.390 -3.997 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.432 7.710 -2.569 1.00 1.00 C ATOM 420 CG2 VAL A 28 -8.136 6.520 -3.997 1.00 1.00 C ATOM 0 H VAL A 28 -7.223 7.602 -6.601 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.769 9.298 -4.217 1.00 1.00 H new ATOM 0 HB VAL A 28 -6.079 6.824 -4.478 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.283 6.782 -2.018 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.497 8.270 -2.596 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.198 8.307 -2.074 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.953 5.615 -3.417 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.962 7.075 -3.552 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.391 6.249 -5.022 1.00 1.00 H new ATOM 430 N GLU A 29 -5.767 10.644 -4.413 1.00 1.00 N ATOM 431 CA GLU A 29 -4.605 11.508 -4.533 1.00 1.00 C ATOM 432 C GLU A 29 -3.319 10.690 -4.393 1.00 1.00 C ATOM 433 O GLU A 29 -3.259 9.751 -3.601 1.00 1.00 O ATOM 434 CB GLU A 29 -4.652 12.636 -3.501 1.00 1.00 C ATOM 435 CG GLU A 29 -5.335 13.878 -4.077 1.00 1.00 C ATOM 436 CD GLU A 29 -6.770 14.003 -3.561 1.00 1.00 C ATOM 437 OE1 GLU A 29 -6.979 14.300 -2.376 1.00 1.00 O ATOM 438 OE2 GLU A 29 -7.687 13.780 -4.441 1.00 1.00 O ATOM 0 H GLU A 29 -6.519 11.019 -3.835 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.616 11.965 -5.523 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.189 12.300 -2.614 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.639 12.887 -3.185 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.768 14.768 -3.805 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.340 13.823 -5.166 1.00 1.00 H new ATOM 446 N CYS A 30 -2.322 11.077 -5.175 1.00 1.00 N ATOM 447 CA CYS A 30 -1.041 10.391 -5.149 1.00 1.00 C ATOM 448 C CYS A 30 -0.464 10.505 -3.736 1.00 1.00 C ATOM 449 O CYS A 30 -0.329 9.503 -3.035 1.00 1.00 O ATOM 450 CB CYS A 30 -0.080 10.946 -6.203 1.00 1.00 C ATOM 451 SG CYS A 30 -0.835 11.256 -7.841 1.00 1.00 S ATOM 0 H CYS A 30 -2.375 11.857 -5.830 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.184 9.340 -5.400 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.345 11.879 -5.832 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.746 10.246 -6.326 1.00 1.00 H new ATOM 0 HG CYS A 30 0.066 11.725 -8.652 1.00 1.00 H new ATOM 456 N VAL A 31 -0.140 11.733 -3.360 1.00 1.00 N ATOM 457 CA VAL A 31 0.418 11.991 -2.044 1.00 1.00 C ATOM 458 C VAL A 31 -0.263 11.082 -1.019 1.00 1.00 C ATOM 459 O VAL A 31 0.401 10.307 -0.333 1.00 1.00 O ATOM 460 CB VAL A 31 0.291 13.477 -1.703 1.00 1.00 C ATOM 461 CG1 VAL A 31 0.261 13.691 -0.188 1.00 1.00 C ATOM 462 CG2 VAL A 31 1.418 14.285 -2.349 1.00 1.00 C ATOM 0 H VAL A 31 -0.253 12.561 -3.945 1.00 1.00 H new ATOM 0 HA VAL A 31 1.483 11.758 -2.029 1.00 1.00 H new ATOM 0 HB VAL A 31 -0.654 13.835 -2.110 1.00 1.00 H new ATOM 0 HG11 VAL A 31 0.170 14.756 0.027 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -0.591 13.161 0.238 1.00 1.00 H new ATOM 0 HG13 VAL A 31 1.182 13.309 0.252 1.00 1.00 H new ATOM 0 HG21 VAL A 31 1.305 15.338 -2.091 1.00 1.00 H new ATOM 0 HG22 VAL A 31 2.380 13.924 -1.985 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.374 14.170 -3.432 1.00 1.00 H new ATOM 472 N THR A 32 -1.580 11.207 -0.948 1.00 1.00 N ATOM 473 CA THR A 32 -2.359 10.406 -0.018 1.00 1.00 C ATOM 474 C THR A 32 -1.746 9.012 0.128 1.00 1.00 C ATOM 475 O THR A 32 -1.794 8.418 1.204 1.00 1.00 O ATOM 476 CB THR A 32 -3.807 10.385 -0.510 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.261 11.722 -0.312 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.719 9.545 0.387 1.00 1.00 C ATOM 0 H THR A 32 -2.128 11.851 -1.519 1.00 1.00 H new ATOM 0 HA THR A 32 -2.347 10.838 0.983 1.00 1.00 H new ATOM 0 HB THR A 32 -3.838 9.994 -1.527 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.230 11.763 -0.454 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.735 9.564 -0.007 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.358 8.517 0.411 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.714 9.955 1.397 1.00 1.00 H new ATOM 486 N CYS A 33 -1.185 8.529 -0.971 1.00 1.00 N ATOM 487 CA CYS A 33 -0.564 7.216 -0.979 1.00 1.00 C ATOM 488 C CYS A 33 0.955 7.402 -0.979 1.00 1.00 C ATOM 489 O CYS A 33 1.670 6.747 -0.225 1.00 1.00 O ATOM 490 CB CYS A 33 -1.035 6.374 -2.167 1.00 1.00 C ATOM 491 SG CYS A 33 -2.146 5.041 -1.588 1.00 1.00 S ATOM 0 H CYS A 33 -1.148 9.024 -1.862 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.862 6.666 -0.087 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.556 7.005 -2.887 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -0.176 5.944 -2.682 1.00 1.00 H new ATOM 0 HG CYS A 33 -2.542 4.334 -2.604 1.00 1.00 H new ATOM 496 N HIS A 34 1.411 8.310 -1.844 1.00 1.00 N ATOM 497 CA HIS A 34 2.828 8.625 -1.986 1.00 1.00 C ATOM 498 C HIS A 34 3.193 9.809 -1.073 1.00 1.00 C ATOM 499 O HIS A 34 3.472 10.905 -1.554 1.00 1.00 O ATOM 500 CB HIS A 34 3.139 8.853 -3.473 1.00 1.00 C ATOM 501 CG HIS A 34 3.076 7.642 -4.374 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.054 6.734 -4.430 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.112 7.220 -5.259 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.714 5.783 -5.314 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.523 6.034 -5.855 1.00 1.00 N ATOM 0 H HIS A 34 0.805 8.846 -2.465 1.00 1.00 H new ATOM 0 HA HIS A 34 3.456 7.796 -1.658 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.442 9.598 -3.856 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.138 9.282 -3.550 1.00 1.00 H new ATOM 0 HD1 HIS A 34 4.918 6.759 -3.889 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.181 7.730 -5.459 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.326 4.926 -5.555 1.00 1.00 H new ATOM 513 N HIS A 35 3.179 9.548 0.234 1.00 1.00 N ATOM 514 CA HIS A 35 3.498 10.549 1.245 1.00 1.00 C ATOM 515 C HIS A 35 4.713 11.379 0.791 1.00 1.00 C ATOM 516 O HIS A 35 5.479 10.936 -0.063 1.00 1.00 O ATOM 517 CB HIS A 35 3.684 9.847 2.599 1.00 1.00 C ATOM 518 CG HIS A 35 4.958 9.056 2.785 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.170 9.591 2.603 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.168 7.746 3.144 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.098 8.651 2.840 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.534 7.493 3.178 1.00 1.00 N ATOM 0 H HIS A 35 2.945 8.633 0.620 1.00 1.00 H new ATOM 0 HA HIS A 35 2.683 11.262 1.371 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.635 10.602 3.383 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.840 9.174 2.752 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.393 7.027 3.365 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.163 8.813 2.766 1.00 1.00 H new ATOM 0 HE2 HIS A 35 7.000 6.616 3.410 1.00 1.00 H new ATOM 530 N LEU A 36 4.846 12.558 1.380 1.00 1.00 N ATOM 531 CA LEU A 36 5.949 13.442 1.044 1.00 1.00 C ATOM 532 C LEU A 36 7.176 13.056 1.872 1.00 1.00 C ATOM 533 O LEU A 36 7.045 12.519 2.971 1.00 1.00 O ATOM 534 CB LEU A 36 5.533 14.905 1.209 1.00 1.00 C ATOM 535 CG LEU A 36 4.070 15.225 0.895 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.289 15.529 2.175 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.963 16.361 -0.124 1.00 1.00 C ATOM 0 H LEU A 36 4.208 12.922 2.088 1.00 1.00 H new ATOM 0 HA LEU A 36 6.222 13.328 -0.005 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.738 15.207 2.236 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.165 15.517 0.565 1.00 1.00 H new ATOM 0 HG LEU A 36 3.617 14.343 0.442 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.252 15.753 1.924 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.323 14.663 2.836 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.734 16.387 2.678 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.913 16.568 -0.329 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.438 17.256 0.278 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.462 16.069 -1.048 1.00 1.00 H new ATOM 549 N VAL A 37 8.342 13.344 1.313 1.00 1.00 N ATOM 550 CA VAL A 37 9.592 13.033 1.985 1.00 1.00 C ATOM 551 C VAL A 37 10.418 14.312 2.134 1.00 1.00 C ATOM 552 O VAL A 37 10.884 14.873 1.144 1.00 1.00 O ATOM 553 CB VAL A 37 10.333 11.928 1.229 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.739 11.723 1.797 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.537 10.621 1.250 1.00 1.00 C ATOM 0 H VAL A 37 8.447 13.790 0.402 1.00 1.00 H new ATOM 0 HA VAL A 37 9.401 12.650 2.988 1.00 1.00 H new ATOM 0 HB VAL A 37 10.434 12.242 0.190 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.244 10.932 1.242 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.307 12.649 1.707 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.669 11.441 2.848 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.086 9.852 0.706 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.390 10.301 2.282 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.567 10.778 0.777 1.00 1.00 H new ATOM 565 N ASP A 38 10.574 14.736 3.380 1.00 1.00 N ATOM 566 CA ASP A 38 11.336 15.939 3.671 1.00 1.00 C ATOM 567 C ASP A 38 10.814 17.089 2.807 1.00 1.00 C ATOM 568 O ASP A 38 11.595 17.895 2.304 1.00 1.00 O ATOM 569 CB ASP A 38 12.819 15.742 3.351 1.00 1.00 C ATOM 570 CG ASP A 38 13.372 14.353 3.674 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.125 13.804 4.759 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.094 13.823 2.745 1.00 1.00 O ATOM 0 H ASP A 38 10.186 14.268 4.199 1.00 1.00 H new ATOM 0 HA ASP A 38 11.223 16.162 4.732 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.976 15.941 2.291 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.396 16.484 3.904 1.00 1.00 H new ATOM 578 N GLY A 39 9.498 17.128 2.662 1.00 1.00 N ATOM 579 CA GLY A 39 8.863 18.166 1.868 1.00 1.00 C ATOM 580 C GLY A 39 9.359 18.130 0.421 1.00 1.00 C ATOM 581 O GLY A 39 9.387 19.157 -0.255 1.00 1.00 O ATOM 0 H GLY A 39 8.854 16.457 3.081 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.781 18.034 1.889 1.00 1.00 H new ATOM 0 HA3 GLY A 39 9.074 19.142 2.304 1.00 1.00 H new ATOM 585 N LYS A 40 9.737 16.936 -0.011 1.00 1.00 N ATOM 586 CA LYS A 40 10.230 16.752 -1.366 1.00 1.00 C ATOM 587 C LYS A 40 9.485 15.588 -2.021 1.00 1.00 C ATOM 588 O LYS A 40 9.878 14.432 -1.872 1.00 1.00 O ATOM 589 CB LYS A 40 11.751 16.586 -1.365 1.00 1.00 C ATOM 590 CG LYS A 40 12.349 17.005 -2.709 1.00 1.00 C ATOM 591 CD LYS A 40 13.510 16.090 -3.101 1.00 1.00 C ATOM 592 CE LYS A 40 14.652 16.891 -3.729 1.00 1.00 C ATOM 593 NZ LYS A 40 14.313 17.277 -5.117 1.00 1.00 N ATOM 0 H LYS A 40 9.712 16.086 0.553 1.00 1.00 H new ATOM 0 HA LYS A 40 10.030 17.638 -1.968 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.185 17.187 -0.566 1.00 1.00 H new ATOM 0 HB3 LYS A 40 12.007 15.547 -1.157 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.579 16.972 -3.480 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.698 18.036 -2.650 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.874 15.561 -2.220 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.161 15.335 -3.805 1.00 1.00 H new ATOM 0 HE2 LYS A 40 14.848 17.784 -3.135 1.00 1.00 H new ATOM 0 HE3 LYS A 40 15.566 16.298 -3.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.099 17.820 -5.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 14.149 16.421 -5.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 13.453 17.861 -5.115 1.00 1.00 H new ATOM 606 N GLU A 41 8.422 15.933 -2.734 1.00 1.00 N ATOM 607 CA GLU A 41 7.618 14.931 -3.412 1.00 1.00 C ATOM 608 C GLU A 41 8.520 13.923 -4.129 1.00 1.00 C ATOM 609 O GLU A 41 9.343 14.303 -4.960 1.00 1.00 O ATOM 610 CB GLU A 41 6.640 15.583 -4.391 1.00 1.00 C ATOM 611 CG GLU A 41 7.383 16.433 -5.424 1.00 1.00 C ATOM 612 CD GLU A 41 7.099 15.941 -6.845 1.00 1.00 C ATOM 613 OE1 GLU A 41 7.997 15.398 -7.504 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.893 16.140 -7.260 1.00 1.00 O ATOM 0 H GLU A 41 8.099 16.893 -2.856 1.00 1.00 H new ATOM 0 HA GLU A 41 7.031 14.398 -2.664 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.060 14.812 -4.898 1.00 1.00 H new ATOM 0 HB3 GLU A 41 5.933 16.206 -3.843 1.00 1.00 H new ATOM 0 HG2 GLU A 41 7.079 17.475 -5.329 1.00 1.00 H new ATOM 0 HG3 GLU A 41 8.455 16.394 -5.229 1.00 1.00 H new ATOM 622 N SER A 42 8.335 12.659 -3.780 1.00 1.00 N ATOM 623 CA SER A 42 9.121 11.594 -4.379 1.00 1.00 C ATOM 624 C SER A 42 8.214 10.421 -4.755 1.00 1.00 C ATOM 625 O SER A 42 7.122 10.241 -4.219 1.00 1.00 O ATOM 626 CB SER A 42 10.227 11.126 -3.431 1.00 1.00 C ATOM 627 OG SER A 42 11.309 10.519 -4.132 1.00 1.00 O ATOM 0 H SER A 42 7.652 12.348 -3.089 1.00 1.00 H new ATOM 0 HA SER A 42 9.593 11.984 -5.281 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.597 11.976 -2.858 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.814 10.415 -2.715 1.00 1.00 H new ATOM 0 HG SER A 42 11.995 10.235 -3.492 1.00 1.00 H new ATOM 633 N TYR A 43 8.697 9.615 -5.703 1.00 1.00 N ATOM 634 CA TYR A 43 7.958 8.460 -6.172 1.00 1.00 C ATOM 635 C TYR A 43 8.908 7.289 -6.380 1.00 1.00 C ATOM 636 O TYR A 43 8.937 6.735 -7.478 1.00 1.00 O ATOM 637 CB TYR A 43 7.239 8.812 -7.472 1.00 1.00 C ATOM 638 CG TYR A 43 6.274 9.965 -7.334 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.756 11.279 -7.291 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.899 9.720 -7.250 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.861 12.348 -7.164 1.00 1.00 C ATOM 642 CE2 TYR A 43 4.004 10.790 -7.123 1.00 1.00 C ATOM 643 CZ TYR A 43 4.485 12.104 -7.080 1.00 1.00 C ATOM 644 OH TYR A 43 3.614 13.146 -6.957 1.00 1.00 O ATOM 0 H TYR A 43 9.601 9.749 -6.157 1.00 1.00 H new ATOM 0 HA TYR A 43 7.216 8.171 -5.428 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.980 9.058 -8.233 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.697 7.935 -7.827 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.817 11.468 -7.356 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.528 8.706 -7.283 1.00 1.00 H new ATOM 0 HE1 TYR A 43 6.232 13.362 -7.131 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.943 10.601 -7.058 1.00 1.00 H new ATOM 0 HH TYR A 43 2.697 12.803 -6.913 1.00 1.00 H new ATOM 654 N ALA A 44 9.654 6.939 -5.343 1.00 1.00 N ATOM 655 CA ALA A 44 10.593 5.834 -5.436 1.00 1.00 C ATOM 656 C ALA A 44 9.932 4.562 -4.901 1.00 1.00 C ATOM 657 O ALA A 44 9.083 4.626 -4.014 1.00 1.00 O ATOM 658 CB ALA A 44 11.875 6.188 -4.679 1.00 1.00 C ATOM 0 H ALA A 44 9.627 7.401 -4.434 1.00 1.00 H new ATOM 0 HA ALA A 44 10.868 5.651 -6.475 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.579 5.359 -4.749 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.321 7.081 -5.117 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.639 6.376 -3.632 1.00 1.00 H new ATOM 664 N LYS A 45 10.348 3.437 -5.463 1.00 1.00 N ATOM 665 CA LYS A 45 9.807 2.152 -5.054 1.00 1.00 C ATOM 666 C LYS A 45 9.643 2.134 -3.533 1.00 1.00 C ATOM 667 O LYS A 45 10.421 2.759 -2.813 1.00 1.00 O ATOM 668 CB LYS A 45 10.671 1.010 -5.593 1.00 1.00 C ATOM 669 CG LYS A 45 10.453 0.820 -7.096 1.00 1.00 C ATOM 670 CD LYS A 45 11.635 0.086 -7.732 1.00 1.00 C ATOM 671 CE LYS A 45 11.157 -1.119 -8.546 1.00 1.00 C ATOM 672 NZ LYS A 45 12.313 -1.893 -9.052 1.00 1.00 N ATOM 0 H LYS A 45 11.053 3.388 -6.198 1.00 1.00 H new ATOM 0 HA LYS A 45 8.817 2.001 -5.484 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.722 1.221 -5.398 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.429 0.086 -5.067 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.536 0.256 -7.266 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.323 1.791 -7.574 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.188 0.769 -8.377 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.323 -0.245 -6.954 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.527 -1.757 -7.926 1.00 1.00 H new ATOM 0 HE3 LYS A 45 10.544 -0.781 -9.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 11.972 -2.707 -9.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 12.898 -1.285 -9.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.882 -2.231 -8.250 1.00 1.00 H new ATOM 685 N CYS A 46 8.627 1.410 -3.087 1.00 1.00 N ATOM 686 CA CYS A 46 8.351 1.302 -1.665 1.00 1.00 C ATOM 687 C CYS A 46 9.652 0.928 -0.951 1.00 1.00 C ATOM 688 O CYS A 46 9.839 1.258 0.219 1.00 1.00 O ATOM 689 CB CYS A 46 7.234 0.296 -1.380 1.00 1.00 C ATOM 690 SG CYS A 46 5.796 0.982 -0.479 1.00 1.00 S ATOM 0 H CYS A 46 7.984 0.892 -3.686 1.00 1.00 H new ATOM 0 HA CYS A 46 7.992 2.260 -1.288 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.888 -0.119 -2.326 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.647 -0.530 -0.802 1.00 1.00 H new ATOM 0 HG CYS A 46 4.869 0.075 -0.387 1.00 1.00 H new ATOM 695 N GLY A 47 10.517 0.244 -1.685 1.00 1.00 N ATOM 696 CA GLY A 47 11.794 -0.179 -1.136 1.00 1.00 C ATOM 697 C GLY A 47 12.956 0.474 -1.887 1.00 1.00 C ATOM 698 O GLY A 47 13.723 -0.207 -2.565 1.00 1.00 O ATOM 0 H GLY A 47 10.359 -0.028 -2.655 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.845 0.084 -0.080 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.880 -1.264 -1.198 1.00 1.00 H new ATOM 702 N SER A 48 13.050 1.788 -1.741 1.00 1.00 N ATOM 703 CA SER A 48 14.106 2.541 -2.397 1.00 1.00 C ATOM 704 C SER A 48 15.233 2.834 -1.405 1.00 1.00 C ATOM 705 O SER A 48 15.062 2.667 -0.198 1.00 1.00 O ATOM 706 CB SER A 48 13.566 3.845 -2.988 1.00 1.00 C ATOM 707 OG SER A 48 14.611 4.680 -3.480 1.00 1.00 O ATOM 0 H SER A 48 12.412 2.350 -1.178 1.00 1.00 H new ATOM 0 HA SER A 48 14.499 1.938 -3.216 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.873 3.617 -3.797 1.00 1.00 H new ATOM 0 HB3 SER A 48 13.001 4.382 -2.226 1.00 1.00 H new ATOM 0 HG SER A 48 14.343 5.619 -3.402 1.00 1.00 H new ATOM 713 N SER A 49 16.360 3.266 -1.950 1.00 1.00 N ATOM 714 CA SER A 49 17.515 3.585 -1.128 1.00 1.00 C ATOM 715 C SER A 49 17.108 4.532 0.002 1.00 1.00 C ATOM 716 O SER A 49 16.660 5.649 -0.251 1.00 1.00 O ATOM 717 CB SER A 49 18.633 4.208 -1.967 1.00 1.00 C ATOM 718 OG SER A 49 19.787 3.373 -2.023 1.00 1.00 O ATOM 0 H SER A 49 16.498 3.403 -2.951 1.00 1.00 H new ATOM 0 HA SER A 49 17.894 2.658 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.269 4.391 -2.978 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.906 5.176 -1.546 1.00 1.00 H new ATOM 0 HG SER A 49 20.477 3.805 -2.569 1.00 1.00 H new ATOM 724 N GLY A 50 17.278 4.051 1.225 1.00 1.00 N ATOM 725 CA GLY A 50 16.934 4.841 2.395 1.00 1.00 C ATOM 726 C GLY A 50 15.417 4.965 2.545 1.00 1.00 C ATOM 727 O GLY A 50 14.894 6.066 2.715 1.00 1.00 O ATOM 0 H GLY A 50 17.650 3.124 1.431 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.355 4.378 3.288 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.377 5.833 2.312 1.00 1.00 H new ATOM 731 N CYS A 51 14.752 3.821 2.478 1.00 1.00 N ATOM 732 CA CYS A 51 13.305 3.788 2.605 1.00 1.00 C ATOM 733 C CYS A 51 12.912 2.473 3.281 1.00 1.00 C ATOM 734 O CYS A 51 13.584 2.011 4.201 1.00 1.00 O ATOM 735 CB CYS A 51 12.614 3.963 1.251 1.00 1.00 C ATOM 736 SG CYS A 51 13.345 5.381 0.354 1.00 1.00 S ATOM 0 H CYS A 51 15.189 2.910 2.337 1.00 1.00 H new ATOM 0 HA CYS A 51 12.972 4.625 3.219 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.720 3.054 0.659 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.546 4.126 1.397 1.00 1.00 H new ATOM 0 HG CYS A 51 13.967 6.152 1.195 1.00 1.00 H new ATOM 741 N HIS A 52 11.812 1.896 2.794 1.00 1.00 N ATOM 742 CA HIS A 52 11.283 0.639 3.311 1.00 1.00 C ATOM 743 C HIS A 52 11.774 -0.530 2.438 1.00 1.00 C ATOM 744 O HIS A 52 11.024 -1.039 1.606 1.00 1.00 O ATOM 745 CB HIS A 52 9.755 0.749 3.418 1.00 1.00 C ATOM 746 CG HIS A 52 9.200 2.077 3.879 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.222 2.460 5.160 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.604 3.101 3.184 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.663 3.676 5.258 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.264 4.119 4.067 1.00 1.00 N ATOM 0 H HIS A 52 11.264 2.290 2.029 1.00 1.00 H new ATOM 0 HA HIS A 52 11.653 0.434 4.316 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.328 0.523 2.441 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.406 -0.022 4.104 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.601 1.917 5.936 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.427 3.113 2.119 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.551 4.224 6.182 1.00 1.00 H new ATOM 758 N ASP A 53 13.022 -0.918 2.659 1.00 1.00 N ATOM 759 CA ASP A 53 13.611 -2.012 1.905 1.00 1.00 C ATOM 760 C ASP A 53 14.350 -2.947 2.864 1.00 1.00 C ATOM 761 O ASP A 53 15.492 -3.326 2.610 1.00 1.00 O ATOM 762 CB ASP A 53 14.620 -1.492 0.879 1.00 1.00 C ATOM 763 CG ASP A 53 15.837 -0.780 1.473 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.794 -1.424 1.931 1.00 1.00 O ATOM 765 OD2 ASP A 53 15.778 0.508 1.453 1.00 1.00 O ATOM 0 H ASP A 53 13.641 -0.494 3.350 1.00 1.00 H new ATOM 0 HA ASP A 53 12.808 -2.536 1.387 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.967 -2.331 0.276 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.109 -0.805 0.205 1.00 1.00 H new ATOM 771 N ASP A 54 13.668 -3.292 3.947 1.00 1.00 N ATOM 772 CA ASP A 54 14.246 -4.175 4.945 1.00 1.00 C ATOM 773 C ASP A 54 13.122 -4.876 5.711 1.00 1.00 C ATOM 774 O ASP A 54 12.531 -4.296 6.621 1.00 1.00 O ATOM 775 CB ASP A 54 15.089 -3.391 5.953 1.00 1.00 C ATOM 776 CG ASP A 54 16.485 -3.960 6.210 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.326 -4.025 5.300 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.700 -4.353 7.419 1.00 1.00 O ATOM 0 H ASP A 54 12.721 -2.976 4.155 1.00 1.00 H new ATOM 0 HA ASP A 54 14.880 -4.897 4.430 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.191 -2.365 5.599 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.550 -3.349 6.900 1.00 1.00 H new ATOM 784 N LEU A 55 12.862 -6.113 5.316 1.00 1.00 N ATOM 785 CA LEU A 55 11.819 -6.899 5.954 1.00 1.00 C ATOM 786 C LEU A 55 12.449 -7.818 7.003 1.00 1.00 C ATOM 787 O LEU A 55 11.841 -8.805 7.414 1.00 1.00 O ATOM 788 CB LEU A 55 10.989 -7.641 4.905 1.00 1.00 C ATOM 789 CG LEU A 55 9.857 -6.842 4.258 1.00 1.00 C ATOM 790 CD1 LEU A 55 10.273 -6.318 2.882 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.571 -7.668 4.192 1.00 1.00 C ATOM 0 H LEU A 55 13.355 -6.591 4.562 1.00 1.00 H new ATOM 0 HA LEU A 55 11.119 -6.249 6.478 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.659 -7.986 4.118 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.561 -8.528 5.371 1.00 1.00 H new ATOM 0 HG LEU A 55 9.650 -5.974 4.884 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.450 -5.753 2.444 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.143 -5.669 2.987 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.523 -7.158 2.233 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.782 -7.076 3.728 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.746 -8.567 3.601 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.267 -7.950 5.200 1.00 1.00 H new ATOM 803 N THR A 56 13.660 -7.461 7.406 1.00 1.00 N ATOM 804 CA THR A 56 14.379 -8.241 8.399 1.00 1.00 C ATOM 805 C THR A 56 14.172 -7.649 9.794 1.00 1.00 C ATOM 806 O THR A 56 14.615 -8.223 10.788 1.00 1.00 O ATOM 807 CB THR A 56 15.848 -8.304 7.977 1.00 1.00 C ATOM 808 OG1 THR A 56 16.231 -9.649 8.252 1.00 1.00 O ATOM 809 CG2 THR A 56 16.753 -7.466 8.883 1.00 1.00 C ATOM 0 H THR A 56 14.161 -6.642 7.063 1.00 1.00 H new ATOM 0 HA THR A 56 13.998 -9.261 8.454 1.00 1.00 H new ATOM 0 HB THR A 56 15.945 -7.960 6.947 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.171 -9.778 8.006 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.785 -7.545 8.540 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.438 -6.423 8.848 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.682 -7.832 9.907 1.00 1.00 H new ATOM 817 N ALA A 57 13.498 -6.509 9.825 1.00 1.00 N ATOM 818 CA ALA A 57 13.226 -5.833 11.082 1.00 1.00 C ATOM 819 C ALA A 57 11.888 -6.321 11.640 1.00 1.00 C ATOM 820 O ALA A 57 11.788 -6.657 12.819 1.00 1.00 O ATOM 821 CB ALA A 57 13.250 -4.319 10.863 1.00 1.00 C ATOM 0 H ALA A 57 13.132 -6.036 8.999 1.00 1.00 H new ATOM 0 HA ALA A 57 13.995 -6.068 11.818 1.00 1.00 H new ATOM 0 HB1 ALA A 57 13.046 -3.812 11.806 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.232 -4.020 10.495 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.490 -4.045 10.132 1.00 1.00 H new ATOM 827 N LYS A 58 10.892 -6.344 10.766 1.00 1.00 N ATOM 828 CA LYS A 58 9.564 -6.785 11.156 1.00 1.00 C ATOM 829 C LYS A 58 8.747 -5.578 11.622 1.00 1.00 C ATOM 830 O LYS A 58 7.521 -5.579 11.524 1.00 1.00 O ATOM 831 CB LYS A 58 9.655 -7.905 12.195 1.00 1.00 C ATOM 832 CG LYS A 58 8.471 -8.866 12.071 1.00 1.00 C ATOM 833 CD LYS A 58 7.284 -8.384 12.909 1.00 1.00 C ATOM 834 CE LYS A 58 7.425 -8.830 14.366 1.00 1.00 C ATOM 835 NZ LYS A 58 6.093 -8.993 14.989 1.00 1.00 N ATOM 0 H LYS A 58 10.979 -6.064 9.789 1.00 1.00 H new ATOM 0 HA LYS A 58 9.039 -7.215 10.303 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.588 -8.453 12.063 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.676 -7.476 13.197 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.173 -8.949 11.026 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.771 -9.862 12.397 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.219 -7.297 12.862 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.357 -8.777 12.493 1.00 1.00 H new ATOM 0 HE2 LYS A 58 7.973 -9.771 14.413 1.00 1.00 H new ATOM 0 HE3 LYS A 58 8.006 -8.095 14.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 6.207 -9.296 15.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 5.583 -8.087 14.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.551 -9.711 14.467 1.00 1.00 H new ATOM 848 N LYS A 59 9.460 -4.579 12.121 1.00 1.00 N ATOM 849 CA LYS A 59 8.816 -3.368 12.602 1.00 1.00 C ATOM 850 C LYS A 59 9.808 -2.206 12.533 1.00 1.00 C ATOM 851 O LYS A 59 10.969 -2.353 12.910 1.00 1.00 O ATOM 852 CB LYS A 59 8.229 -3.593 13.997 1.00 1.00 C ATOM 853 CG LYS A 59 9.319 -3.526 15.068 1.00 1.00 C ATOM 854 CD LYS A 59 8.708 -3.391 16.465 1.00 1.00 C ATOM 855 CE LYS A 59 9.272 -2.171 17.194 1.00 1.00 C ATOM 856 NZ LYS A 59 8.755 -2.110 18.580 1.00 1.00 N ATOM 0 H LYS A 59 10.477 -4.583 12.203 1.00 1.00 H new ATOM 0 HA LYS A 59 7.972 -3.105 11.964 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.467 -2.840 14.201 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.736 -4.564 14.035 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.935 -4.424 15.022 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.976 -2.679 14.871 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.625 -3.303 16.385 1.00 1.00 H new ATOM 0 HD3 LYS A 59 8.912 -4.292 17.044 1.00 1.00 H new ATOM 0 HE2 LYS A 59 10.361 -2.219 17.208 1.00 1.00 H new ATOM 0 HE3 LYS A 59 9.000 -1.262 16.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 9.148 -1.276 19.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.717 -2.042 18.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 9.036 -2.970 19.093 1.00 1.00 H new ATOM 869 N GLY A 60 9.314 -1.077 12.047 1.00 1.00 N ATOM 870 CA GLY A 60 10.143 0.110 11.922 1.00 1.00 C ATOM 871 C GLY A 60 9.963 0.764 10.551 1.00 1.00 C ATOM 872 O GLY A 60 9.474 0.130 9.617 1.00 1.00 O ATOM 0 H GLY A 60 8.350 -0.959 11.735 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.884 0.822 12.705 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.190 -0.157 12.067 1.00 1.00 H new ATOM 876 N GLU A 61 10.368 2.023 10.473 1.00 1.00 N ATOM 877 CA GLU A 61 10.257 2.769 9.231 1.00 1.00 C ATOM 878 C GLU A 61 11.093 2.104 8.136 1.00 1.00 C ATOM 879 O GLU A 61 10.946 2.424 6.957 1.00 1.00 O ATOM 880 CB GLU A 61 10.674 4.228 9.429 1.00 1.00 C ATOM 881 CG GLU A 61 11.905 4.329 10.332 1.00 1.00 C ATOM 882 CD GLU A 61 12.813 5.480 9.894 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.350 6.413 9.222 1.00 1.00 O ATOM 884 OE2 GLU A 61 14.041 5.382 10.278 1.00 1.00 O ATOM 0 H GLU A 61 10.773 2.545 11.250 1.00 1.00 H new ATOM 0 HA GLU A 61 9.213 2.763 8.918 1.00 1.00 H new ATOM 0 HB2 GLU A 61 10.890 4.683 8.462 1.00 1.00 H new ATOM 0 HB3 GLU A 61 9.849 4.789 9.868 1.00 1.00 H new ATOM 0 HG2 GLU A 61 11.591 4.481 11.365 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.460 3.391 10.302 1.00 1.00 H new ATOM 892 N LYS A 62 11.952 1.191 8.564 1.00 1.00 N ATOM 893 CA LYS A 62 12.812 0.478 7.635 1.00 1.00 C ATOM 894 C LYS A 62 12.206 -0.895 7.338 1.00 1.00 C ATOM 895 O LYS A 62 12.932 -1.857 7.091 1.00 1.00 O ATOM 896 CB LYS A 62 14.244 0.416 8.169 1.00 1.00 C ATOM 897 CG LYS A 62 14.718 1.796 8.629 1.00 1.00 C ATOM 898 CD LYS A 62 15.999 2.207 7.900 1.00 1.00 C ATOM 899 CE LYS A 62 16.149 3.729 7.869 1.00 1.00 C ATOM 900 NZ LYS A 62 17.534 4.121 8.213 1.00 1.00 N ATOM 0 H LYS A 62 12.071 0.928 9.542 1.00 1.00 H new ATOM 0 HA LYS A 62 12.874 1.012 6.687 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.295 -0.286 9.001 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.910 0.039 7.392 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.937 2.533 8.443 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.895 1.784 9.704 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.862 1.763 8.396 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.982 1.819 6.882 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.894 4.105 6.878 1.00 1.00 H new ATOM 0 HE3 LYS A 62 15.451 4.183 8.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.618 5.157 8.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.765 3.779 9.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 18.194 3.703 7.526 1.00 1.00 H new ATOM 913 N SER A 63 10.882 -0.943 7.371 1.00 1.00 N ATOM 914 CA SER A 63 10.171 -2.182 7.108 1.00 1.00 C ATOM 915 C SER A 63 8.989 -1.919 6.174 1.00 1.00 C ATOM 916 O SER A 63 8.366 -0.860 6.237 1.00 1.00 O ATOM 917 CB SER A 63 9.686 -2.825 8.409 1.00 1.00 C ATOM 918 OG SER A 63 9.526 -4.235 8.280 1.00 1.00 O ATOM 0 H SER A 63 10.283 -0.143 7.576 1.00 1.00 H new ATOM 0 HA SER A 63 10.860 -2.876 6.626 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.398 -2.612 9.206 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.736 -2.378 8.703 1.00 1.00 H new ATOM 0 HG SER A 63 9.217 -4.608 9.132 1.00 1.00 H new ATOM 924 N LEU A 64 8.715 -2.901 5.327 1.00 1.00 N ATOM 925 CA LEU A 64 7.619 -2.789 4.380 1.00 1.00 C ATOM 926 C LEU A 64 6.493 -3.737 4.796 1.00 1.00 C ATOM 927 O LEU A 64 5.877 -4.418 3.979 1.00 1.00 O ATOM 928 CB LEU A 64 8.119 -3.016 2.952 1.00 1.00 C ATOM 929 CG LEU A 64 7.085 -2.822 1.841 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.631 -1.363 1.763 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.620 -3.329 0.500 1.00 1.00 C ATOM 0 H LEU A 64 9.234 -3.778 5.277 1.00 1.00 H new ATOM 0 HA LEU A 64 7.207 -1.780 4.391 1.00 1.00 H new ATOM 0 HB2 LEU A 64 8.952 -2.338 2.768 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.512 -4.030 2.883 1.00 1.00 H new ATOM 0 HG LEU A 64 6.206 -3.420 2.084 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.896 -1.253 0.965 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.183 -1.070 2.712 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.490 -0.725 1.556 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.866 -3.180 -0.273 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.523 -2.778 0.237 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.853 -4.391 0.579 1.00 1.00 H new ATOM 943 N TYR A 65 6.234 -3.766 6.105 1.00 1.00 N ATOM 944 CA TYR A 65 5.198 -4.614 6.660 1.00 1.00 C ATOM 945 C TYR A 65 4.350 -3.818 7.641 1.00 1.00 C ATOM 946 O TYR A 65 3.145 -4.035 7.744 1.00 1.00 O ATOM 947 CB TYR A 65 5.840 -5.814 7.349 1.00 1.00 C ATOM 948 CG TYR A 65 4.969 -6.434 8.416 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.024 -7.407 8.069 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.107 -6.036 9.751 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.216 -7.981 9.058 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.299 -6.610 10.739 1.00 1.00 C ATOM 953 CZ TYR A 65 3.353 -7.583 10.393 1.00 1.00 C ATOM 954 OH TYR A 65 2.566 -8.142 11.356 1.00 1.00 O ATOM 0 H TYR A 65 6.734 -3.207 6.796 1.00 1.00 H new ATOM 0 HA TYR A 65 4.550 -4.974 5.861 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.076 -6.570 6.600 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.784 -5.503 7.797 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.918 -7.715 7.039 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.837 -5.286 10.018 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.487 -8.731 8.791 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.405 -6.302 11.769 1.00 1.00 H new ATOM 0 HH TYR A 65 2.791 -7.755 12.228 1.00 1.00 H new ATOM 964 N TYR A 66 4.983 -2.892 8.365 1.00 1.00 N ATOM 965 CA TYR A 66 4.285 -2.072 9.334 1.00 1.00 C ATOM 966 C TYR A 66 3.737 -0.824 8.655 1.00 1.00 C ATOM 967 O TYR A 66 3.091 -0.019 9.324 1.00 1.00 O ATOM 968 CB TYR A 66 5.241 -1.697 10.464 1.00 1.00 C ATOM 969 CG TYR A 66 4.637 -0.752 11.475 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.799 -1.246 12.482 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.916 0.618 11.406 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.241 -0.369 13.420 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.357 1.495 12.344 1.00 1.00 C ATOM 974 CZ TYR A 66 3.519 1.001 13.351 1.00 1.00 C ATOM 975 OH TYR A 66 2.975 1.855 14.265 1.00 1.00 O ATOM 0 H TYR A 66 5.982 -2.698 8.291 1.00 1.00 H new ATOM 0 HA TYR A 66 3.448 -2.630 9.753 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.562 -2.605 10.974 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.133 -1.238 10.037 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.583 -2.303 12.535 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.563 0.999 10.629 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.595 -0.750 14.198 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.572 2.552 12.291 1.00 1.00 H new ATOM 0 HH TYR A 66 3.270 2.770 14.074 1.00 1.00 H new ATOM 985 N VAL A 67 3.999 -0.688 7.364 1.00 1.00 N ATOM 986 CA VAL A 67 3.522 0.465 6.621 1.00 1.00 C ATOM 987 C VAL A 67 2.593 -0.004 5.500 1.00 1.00 C ATOM 988 O VAL A 67 2.100 0.807 4.717 1.00 1.00 O ATOM 989 CB VAL A 67 4.709 1.286 6.109 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.672 1.626 7.249 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.434 0.554 4.978 1.00 1.00 C ATOM 0 H VAL A 67 4.536 -1.358 6.813 1.00 1.00 H new ATOM 0 HA VAL A 67 2.943 1.123 7.269 1.00 1.00 H new ATOM 0 HB VAL A 67 4.322 2.222 5.707 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.506 2.209 6.859 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.147 2.206 8.008 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.050 0.705 7.693 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.273 1.158 4.632 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.803 -0.404 5.343 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.743 0.386 4.152 1.00 1.00 H new ATOM 1001 N VAL A 68 2.381 -1.311 5.458 1.00 1.00 N ATOM 1002 CA VAL A 68 1.520 -1.898 4.446 1.00 1.00 C ATOM 1003 C VAL A 68 0.145 -2.183 5.055 1.00 1.00 C ATOM 1004 O VAL A 68 -0.884 -1.839 4.478 1.00 1.00 O ATOM 1005 CB VAL A 68 2.181 -3.143 3.853 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.131 -4.165 3.413 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.107 -2.773 2.693 1.00 1.00 C ATOM 0 H VAL A 68 2.791 -1.980 6.109 1.00 1.00 H new ATOM 0 HA VAL A 68 1.372 -1.202 3.621 1.00 1.00 H new ATOM 0 HB VAL A 68 2.789 -3.602 4.632 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.628 -5.040 2.995 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.532 -4.464 4.273 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.484 -3.720 2.657 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.564 -3.677 2.290 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.531 -2.278 1.911 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.887 -2.100 3.050 1.00 1.00 H new ATOM 1017 N HIS A 69 0.170 -2.817 6.228 1.00 1.00 N ATOM 1018 CA HIS A 69 -1.040 -3.174 6.960 1.00 1.00 C ATOM 1019 C HIS A 69 -1.352 -2.092 8.010 1.00 1.00 C ATOM 1020 O HIS A 69 -2.219 -1.248 7.790 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.872 -4.587 7.539 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.344 -5.647 6.601 1.00 1.00 C ATOM 1023 ND1 HIS A 69 0.962 -5.877 6.438 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.994 -6.535 5.777 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.120 -6.870 5.548 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.057 -7.312 5.108 1.00 1.00 N ATOM 0 H HIS A 69 1.032 -3.097 6.696 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.909 -3.207 6.303 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.201 -4.526 8.396 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.840 -4.918 7.916 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.716 -5.380 6.912 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.065 -6.616 5.667 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.076 -7.259 5.231 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.629 -2.154 9.119 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.820 -1.193 10.192 1.00 1.00 C ATOM 1036 C ALA A 70 -2.107 -0.405 9.941 1.00 1.00 C ATOM 1037 O ALA A 70 -2.078 0.657 9.321 1.00 1.00 O ATOM 1038 CB ALA A 70 0.409 -0.287 10.290 1.00 1.00 C ATOM 0 H ALA A 70 0.090 -2.855 9.297 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.927 -1.702 11.150 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.266 0.434 11.095 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.292 -0.892 10.497 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.546 0.243 9.348 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.206 -0.954 10.436 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.501 -0.316 10.274 1.00 1.00 C ATOM 1046 C ARG A 71 -4.776 0.633 11.442 1.00 1.00 C ATOM 1047 O ARG A 71 -5.929 0.951 11.730 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.622 -1.355 10.195 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.975 -1.887 11.585 1.00 1.00 C ATOM 1050 CD ARG A 71 -5.209 -3.177 11.889 1.00 1.00 C ATOM 1051 NE ARG A 71 -4.687 -3.141 13.273 1.00 1.00 N ATOM 1052 CZ ARG A 71 -3.600 -3.825 13.690 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -2.910 -4.605 12.830 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -3.221 -3.719 14.950 1.00 1.00 N ATOM 0 H ARG A 71 -3.226 -1.835 10.950 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.477 0.248 9.341 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.505 -0.909 9.738 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.313 -2.180 9.553 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.739 -1.134 12.337 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.047 -2.074 11.646 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -5.865 -4.038 11.761 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.386 -3.296 11.184 1.00 1.00 H new ATOM 0 HE ARG A 71 -5.179 -2.563 13.955 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.209 -4.681 11.858 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.090 -5.118 13.153 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -3.747 -3.127 15.593 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -2.402 -4.229 15.281 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.697 1.058 12.084 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.807 1.963 13.215 1.00 1.00 C ATOM 1066 C GLY A 72 -3.419 3.388 12.816 1.00 1.00 C ATOM 1067 O GLY A 72 -3.357 3.710 11.630 1.00 1.00 O ATOM 0 H GLY A 72 -2.743 0.792 11.842 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.828 1.953 13.595 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.162 1.620 14.024 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.168 4.205 13.829 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.788 5.588 13.598 1.00 1.00 C ATOM 1073 C GLU A 73 -1.305 5.676 13.230 1.00 1.00 C ATOM 1074 O GLU A 73 -0.438 5.523 14.090 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.102 6.454 14.820 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.611 6.539 15.059 1.00 1.00 C ATOM 1077 CD GLU A 73 -5.316 7.203 13.875 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -5.074 8.386 13.593 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -6.142 6.445 13.237 1.00 1.00 O ATOM 0 H GLU A 73 -3.220 3.935 14.811 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.373 5.971 12.762 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.614 6.037 15.701 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.696 7.455 14.675 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -5.015 5.539 15.213 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.808 7.106 15.969 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.059 5.923 11.952 1.00 1.00 N ATOM 1088 CA LEU A 74 0.303 6.034 11.460 1.00 1.00 C ATOM 1089 C LEU A 74 0.562 7.472 11.007 1.00 1.00 C ATOM 1090 O LEU A 74 -0.376 8.244 10.814 1.00 1.00 O ATOM 1091 CB LEU A 74 0.566 4.990 10.372 1.00 1.00 C ATOM 1092 CG LEU A 74 0.375 3.529 10.784 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.541 2.595 9.584 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.314 3.157 11.934 1.00 1.00 C ATOM 0 H LEU A 74 -1.780 6.049 11.242 1.00 1.00 H new ATOM 0 HA LEU A 74 1.015 5.818 12.257 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.093 5.198 9.529 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.588 5.116 10.015 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.645 3.407 11.148 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.400 1.563 9.904 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.200 2.843 8.824 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.541 2.712 9.167 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.158 2.114 12.208 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.348 3.299 11.620 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.105 3.793 12.794 1.00 1.00 H new ATOM 1106 N LYS A 75 1.839 7.789 10.850 1.00 1.00 N ATOM 1107 CA LYS A 75 2.233 9.120 10.424 1.00 1.00 C ATOM 1108 C LYS A 75 1.432 9.511 9.181 1.00 1.00 C ATOM 1109 O LYS A 75 1.084 10.678 9.003 1.00 1.00 O ATOM 1110 CB LYS A 75 3.749 9.194 10.227 1.00 1.00 C ATOM 1111 CG LYS A 75 4.427 9.851 11.431 1.00 1.00 C ATOM 1112 CD LYS A 75 4.492 11.370 11.262 1.00 1.00 C ATOM 1113 CE LYS A 75 5.656 11.960 12.061 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.943 11.684 11.383 1.00 1.00 N ATOM 0 H LYS A 75 2.614 7.146 11.011 1.00 1.00 H new ATOM 0 HA LYS A 75 2.000 9.852 11.198 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.150 8.191 10.082 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.975 9.761 9.324 1.00 1.00 H new ATOM 0 HG2 LYS A 75 3.878 9.606 12.340 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.434 9.451 11.549 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.608 11.618 10.207 1.00 1.00 H new ATOM 0 HD3 LYS A 75 3.555 11.817 11.593 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.520 13.036 12.172 1.00 1.00 H new ATOM 0 HE3 LYS A 75 5.668 11.535 13.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 7.677 12.316 11.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 7.218 10.695 11.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.839 11.847 10.361 1.00 1.00 H new ATOM 1127 N HIS A 76 1.162 8.513 8.352 1.00 1.00 N ATOM 1128 CA HIS A 76 0.409 8.738 7.130 1.00 1.00 C ATOM 1129 C HIS A 76 -0.858 7.880 7.144 1.00 1.00 C ATOM 1130 O HIS A 76 -1.470 7.686 8.193 1.00 1.00 O ATOM 1131 CB HIS A 76 1.282 8.487 5.899 1.00 1.00 C ATOM 1132 CG HIS A 76 2.668 9.077 5.998 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.816 8.305 5.961 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.078 10.371 6.133 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.864 9.108 6.070 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.405 10.388 6.177 1.00 1.00 N ATOM 0 H HIS A 76 1.451 7.547 8.503 1.00 1.00 H new ATOM 0 HA HIS A 76 0.099 9.782 7.076 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.366 7.412 5.739 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.784 8.901 5.022 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.433 11.235 6.194 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.900 8.803 6.074 1.00 1.00 H new ATOM 0 HE2 HIS A 76 4.985 11.221 6.275 1.00 1.00 H new ATOM 1144 N THR A 77 -1.215 7.390 5.965 1.00 1.00 N ATOM 1145 CA THR A 77 -2.398 6.558 5.828 1.00 1.00 C ATOM 1146 C THR A 77 -2.039 5.224 5.171 1.00 1.00 C ATOM 1147 O THR A 77 -1.810 5.165 3.964 1.00 1.00 O ATOM 1148 CB THR A 77 -3.449 7.354 5.053 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.503 8.608 5.728 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.858 6.781 5.218 1.00 1.00 C ATOM 0 H THR A 77 -0.706 7.554 5.097 1.00 1.00 H new ATOM 0 HA THR A 77 -2.816 6.302 6.802 1.00 1.00 H new ATOM 0 HB THR A 77 -3.185 7.369 3.996 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.160 9.188 5.289 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.565 7.383 4.648 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.878 5.754 4.852 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.136 6.796 6.272 1.00 1.00 H new ATOM 1158 N SER A 78 -2.000 4.187 5.994 1.00 1.00 N ATOM 1159 CA SER A 78 -1.673 2.857 5.507 1.00 1.00 C ATOM 1160 C SER A 78 -2.792 2.341 4.601 1.00 1.00 C ATOM 1161 O SER A 78 -3.889 2.897 4.585 1.00 1.00 O ATOM 1162 CB SER A 78 -1.439 1.888 6.667 1.00 1.00 C ATOM 1163 OG SER A 78 -1.601 2.522 7.933 1.00 1.00 O ATOM 0 H SER A 78 -2.189 4.240 6.995 1.00 1.00 H new ATOM 0 HA SER A 78 -0.750 2.921 4.931 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.135 1.053 6.588 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.434 1.473 6.595 1.00 1.00 H new ATOM 0 HG SER A 78 -2.093 1.927 8.536 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.476 1.283 3.868 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.442 0.686 2.961 1.00 1.00 C ATOM 1171 C CYS A 79 -4.637 0.201 3.783 1.00 1.00 C ATOM 1172 O CYS A 79 -5.738 0.734 3.659 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.820 -0.443 2.137 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.172 -0.065 1.437 1.00 1.00 S ATOM 0 H CYS A 79 -1.565 0.824 3.884 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.777 1.432 2.240 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.737 -1.330 2.766 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.497 -0.693 1.320 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.742 -1.090 0.763 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.379 -0.805 4.606 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.420 -1.368 5.449 1.00 1.00 C ATOM 1181 C LEU A 80 -6.173 -0.235 6.148 1.00 1.00 C ATOM 1182 O LEU A 80 -7.316 -0.410 6.568 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.830 -2.401 6.411 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.913 -3.861 5.962 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.262 -4.475 6.339 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.621 -3.992 4.466 1.00 1.00 C ATOM 0 H LEU A 80 -3.464 -1.245 4.707 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.148 -1.909 4.845 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.782 -2.153 6.581 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.339 -2.307 7.370 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.144 -4.425 6.490 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.294 -5.513 6.008 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.391 -4.435 7.421 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -7.064 -3.916 5.857 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.687 -5.040 4.173 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.350 -3.411 3.901 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.618 -3.619 4.257 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.501 0.902 6.253 1.00 1.00 N ATOM 1199 CA ALA A 81 -6.092 2.064 6.894 1.00 1.00 C ATOM 1200 C ALA A 81 -7.289 2.543 6.070 1.00 1.00 C ATOM 1201 O ALA A 81 -8.435 2.404 6.495 1.00 1.00 O ATOM 1202 CB ALA A 81 -5.028 3.151 7.062 1.00 1.00 C ATOM 0 H ALA A 81 -4.553 1.043 5.905 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.458 1.809 7.889 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.471 4.023 7.543 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.214 2.771 7.679 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.640 3.434 6.084 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.982 3.097 4.906 1.00 1.00 N ATOM 1209 CA CYS A 82 -8.018 3.597 4.019 1.00 1.00 C ATOM 1210 C CYS A 82 -9.074 2.502 3.848 1.00 1.00 C ATOM 1211 O CYS A 82 -10.239 2.691 4.191 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.443 4.049 2.675 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.786 4.658 1.592 1.00 1.00 S ATOM 0 H CYS A 82 -6.030 3.210 4.557 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.480 4.481 4.458 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.706 4.837 2.832 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.925 3.219 2.194 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.286 5.041 0.455 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.627 1.366 3.312 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.485 0.212 3.073 1.00 1.00 C ATOM 1220 C HIS A 83 -10.474 0.047 4.242 1.00 1.00 C ATOM 1221 O HIS A 83 -11.607 -0.385 4.037 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.603 -1.018 2.814 1.00 1.00 C ATOM 1223 CG HIS A 83 -8.030 -1.163 1.423 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.698 -2.347 0.900 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.739 -0.225 0.460 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.220 -2.155 -0.339 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.223 -0.863 -0.661 1.00 1.00 N ATOM 0 H HIS A 83 -7.657 1.223 3.032 1.00 1.00 H new ATOM 0 HA HIS A 83 -10.099 0.349 2.183 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.775 -0.998 3.522 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.190 -1.910 3.035 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.792 -3.249 1.366 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.888 0.840 0.560 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.877 -2.945 -0.990 1.00 1.00 H new ATOM 1235 N SER A 84 -10.009 0.400 5.431 1.00 1.00 N ATOM 1236 CA SER A 84 -10.838 0.296 6.620 1.00 1.00 C ATOM 1237 C SER A 84 -12.128 1.095 6.429 1.00 1.00 C ATOM 1238 O SER A 84 -13.217 0.601 6.719 1.00 1.00 O ATOM 1239 CB SER A 84 -10.088 0.786 7.860 1.00 1.00 C ATOM 1240 OG SER A 84 -10.476 0.078 9.034 1.00 1.00 O ATOM 0 H SER A 84 -9.069 0.758 5.597 1.00 1.00 H new ATOM 0 HA SER A 84 -11.088 -0.754 6.772 1.00 1.00 H new ATOM 0 HB2 SER A 84 -9.015 0.669 7.704 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.276 1.851 8.000 1.00 1.00 H new ATOM 0 HG SER A 84 -9.973 0.419 9.803 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.964 2.316 5.943 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.102 3.189 5.710 1.00 1.00 C ATOM 1248 C LYS A 85 -13.923 2.648 4.538 1.00 1.00 C ATOM 1249 O LYS A 85 -15.152 2.671 4.573 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.639 4.635 5.521 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.961 5.163 6.787 1.00 1.00 C ATOM 1252 CD LYS A 85 -10.469 5.404 6.550 1.00 1.00 C ATOM 1253 CE LYS A 85 -9.741 5.675 7.868 1.00 1.00 C ATOM 1254 NZ LYS A 85 -8.992 6.950 7.794 1.00 1.00 N ATOM 0 H LYS A 85 -11.059 2.722 5.704 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.758 3.200 6.581 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.946 4.692 4.682 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.493 5.265 5.272 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -12.438 6.092 7.099 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -12.093 4.449 7.600 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -10.030 4.535 6.060 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -10.336 6.251 5.876 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -10.460 5.716 8.686 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -9.056 4.856 8.087 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -8.504 7.119 8.697 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -8.292 6.898 7.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -9.653 7.731 7.607 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.210 2.174 3.526 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.856 1.628 2.346 1.00 1.00 C ATOM 1269 C VAL A 86 -14.827 0.523 2.766 1.00 1.00 C ATOM 1270 O VAL A 86 -15.939 0.438 2.247 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.802 1.149 1.346 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.456 0.454 0.150 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.914 2.308 0.888 1.00 1.00 C ATOM 0 H VAL A 86 -12.190 2.157 3.500 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.439 2.398 1.840 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.168 0.420 1.851 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.684 0.123 -0.545 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -14.025 -0.408 0.497 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.125 1.151 -0.355 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.173 1.940 0.178 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.529 3.070 0.409 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.406 2.740 1.750 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.371 -0.297 3.702 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.185 -1.393 4.198 1.00 1.00 C ATOM 1285 C VAL A 87 -16.527 -0.845 4.689 1.00 1.00 C ATOM 1286 O VAL A 87 -17.533 -1.552 4.672 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.423 -2.164 5.278 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.348 -3.136 6.014 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.220 -2.897 4.682 1.00 1.00 C ATOM 0 H VAL A 87 -13.448 -0.224 4.130 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.397 -2.103 3.399 1.00 1.00 H new ATOM 0 HB VAL A 87 -14.050 -1.442 6.004 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.781 -3.671 6.776 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.158 -2.580 6.487 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.765 -3.850 5.304 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.696 -3.437 5.470 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.562 -3.602 3.925 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.543 -2.175 4.225 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.497 0.409 5.114 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.698 1.060 5.609 1.00 1.00 C ATOM 1301 C ALA A 88 -18.459 1.678 4.434 1.00 1.00 C ATOM 1302 O ALA A 88 -19.375 2.475 4.633 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.318 2.097 6.668 1.00 1.00 C ATOM 0 H ALA A 88 -15.660 0.992 5.126 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.359 0.335 6.085 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.219 2.585 7.039 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.807 1.603 7.494 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.657 2.843 6.226 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.156 -8.289 -0.261 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.457 -7.870 -1.464 1.00 1.00 C ATOM 1439 C ASP A 96 -10.447 -6.777 -1.107 1.00 1.00 C ATOM 1440 O ASP A 96 -9.504 -6.530 -1.857 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.430 -7.296 -2.495 1.00 1.00 C ATOM 1442 CG ASP A 96 -13.039 -8.323 -3.452 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -14.095 -8.085 -4.057 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.374 -9.423 -3.566 1.00 1.00 O ATOM 0 HA ASP A 96 -10.959 -8.743 -1.886 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.238 -6.790 -1.967 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -11.909 -6.539 -3.082 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.679 -6.153 0.038 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.801 -5.092 0.503 1.00 1.00 C ATOM 1452 C LEU A 97 -9.043 -5.571 1.743 1.00 1.00 C ATOM 1453 O LEU A 97 -7.903 -5.169 1.971 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.592 -3.802 0.726 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.677 -3.493 -0.307 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -12.066 -2.014 -0.269 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -11.244 -3.936 -1.706 1.00 1.00 C ATOM 0 H LEU A 97 -11.462 -6.361 0.658 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.055 -4.854 -0.255 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.059 -3.851 1.710 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.890 -2.968 0.747 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.567 -4.066 -0.049 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.839 -1.822 -1.013 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.446 -1.763 0.721 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.191 -1.402 -0.488 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -12.033 -3.705 -2.421 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -10.332 -3.409 -1.989 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -11.057 -5.010 -1.706 1.00 1.00 H new ATOM 1469 N THR A 98 -9.707 -6.422 2.511 1.00 1.00 N ATOM 1470 CA THR A 98 -9.109 -6.959 3.722 1.00 1.00 C ATOM 1471 C THR A 98 -8.880 -8.465 3.581 1.00 1.00 C ATOM 1472 O THR A 98 -8.584 -8.952 2.490 1.00 1.00 O ATOM 1473 CB THR A 98 -10.014 -6.591 4.899 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.182 -7.383 4.701 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.524 -5.150 4.818 1.00 1.00 C ATOM 0 H THR A 98 -10.652 -6.753 2.319 1.00 1.00 H new ATOM 0 HA THR A 98 -8.125 -6.527 3.902 1.00 1.00 H new ATOM 0 HB THR A 98 -9.469 -6.732 5.832 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.822 -7.208 5.422 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.161 -4.941 5.677 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.677 -4.464 4.819 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.097 -5.018 3.900 1.00 1.00 H new ATOM 1483 N GLY A 99 -9.025 -9.161 4.699 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.837 -10.602 4.713 1.00 1.00 C ATOM 1485 C GLY A 99 -7.370 -10.966 4.478 1.00 1.00 C ATOM 1486 O GLY A 99 -6.737 -10.446 3.561 1.00 1.00 O ATOM 0 H GLY A 99 -9.270 -8.754 5.602 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.167 -11.006 5.670 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.457 -11.061 3.943 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.872 -11.857 5.322 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.491 -12.297 5.218 1.00 1.00 C ATOM 1492 C CYS A 100 -5.391 -13.297 4.065 1.00 1.00 C ATOM 1493 O CYS A 100 -4.343 -13.419 3.432 1.00 1.00 O ATOM 1494 CB CYS A 100 -4.985 -12.891 6.534 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.086 -11.765 7.973 1.00 1.00 S ATOM 0 H CYS A 100 -7.400 -12.287 6.081 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.849 -11.441 5.012 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.558 -13.792 6.754 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -3.947 -13.198 6.403 1.00 1.00 H new ATOM 0 HG CYS A 100 -4.634 -12.371 9.031 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.496 -13.989 3.826 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.546 -14.975 2.760 1.00 1.00 C ATOM 1502 C ALA A 101 -7.817 -14.764 1.935 1.00 1.00 C ATOM 1503 O ALA A 101 -8.711 -14.025 2.344 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.468 -16.380 3.360 1.00 1.00 C ATOM 0 H ALA A 101 -7.363 -13.886 4.353 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.694 -14.859 2.090 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.506 -17.120 2.560 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.534 -16.489 3.911 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.309 -16.534 4.036 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.856 -15.425 0.788 1.00 1.00 N ATOM 1511 CA LYS A 102 -9.003 -15.319 -0.098 1.00 1.00 C ATOM 1512 C LYS A 102 -9.252 -13.846 -0.428 1.00 1.00 C ATOM 1513 O LYS A 102 -10.382 -13.368 -0.334 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.216 -16.028 0.507 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.257 -17.499 0.088 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.436 -17.770 -0.847 1.00 1.00 C ATOM 1517 CE LYS A 102 -12.608 -18.392 -0.085 1.00 1.00 C ATOM 1518 NZ LYS A 102 -13.718 -18.711 -1.012 1.00 1.00 N ATOM 0 H LYS A 102 -7.112 -16.036 0.451 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.804 -15.828 -1.041 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.178 -15.957 1.594 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -11.131 -15.529 0.186 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.325 -17.765 -0.410 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -10.337 -18.131 0.973 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -11.755 -16.839 -1.315 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.123 -18.439 -1.649 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -12.279 -19.298 0.423 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -12.956 -17.703 0.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -14.505 -19.132 -0.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -14.042 -17.840 -1.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -13.387 -19.385 -1.731 1.00 1.00 H new ATOM 1531 N SER A 103 -8.179 -13.167 -0.807 1.00 1.00 N ATOM 1532 CA SER A 103 -8.268 -11.758 -1.150 1.00 1.00 C ATOM 1533 C SER A 103 -7.455 -11.476 -2.415 1.00 1.00 C ATOM 1534 O SER A 103 -6.829 -12.378 -2.969 1.00 1.00 O ATOM 1535 CB SER A 103 -7.779 -10.878 0.002 1.00 1.00 C ATOM 1536 OG SER A 103 -8.426 -11.200 1.230 1.00 1.00 O ATOM 0 H SER A 103 -7.244 -13.567 -0.884 1.00 1.00 H new ATOM 0 HA SER A 103 -9.315 -11.517 -1.336 1.00 1.00 H new ATOM 0 HB2 SER A 103 -6.702 -10.997 0.117 1.00 1.00 H new ATOM 0 HB3 SER A 103 -7.960 -9.831 -0.240 1.00 1.00 H new ATOM 0 HG SER A 103 -8.219 -10.514 1.898 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.491 -10.220 -2.836 1.00 1.00 N ATOM 1543 CA LYS A 104 -6.765 -9.808 -4.025 1.00 1.00 C ATOM 1544 C LYS A 104 -5.330 -9.441 -3.640 1.00 1.00 C ATOM 1545 O LYS A 104 -4.514 -9.125 -4.504 1.00 1.00 O ATOM 1546 CB LYS A 104 -7.514 -8.686 -4.747 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.025 -8.821 -4.552 1.00 1.00 C ATOM 1548 CD LYS A 104 -9.777 -8.489 -5.843 1.00 1.00 C ATOM 1549 CE LYS A 104 -9.702 -9.651 -6.835 1.00 1.00 C ATOM 1550 NZ LYS A 104 -10.960 -9.754 -7.608 1.00 1.00 N ATOM 0 H LYS A 104 -8.012 -9.474 -2.375 1.00 1.00 H new ATOM 0 HA LYS A 104 -6.703 -10.630 -4.738 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.180 -7.720 -4.370 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.277 -8.712 -5.811 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.265 -9.837 -4.238 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -9.353 -8.155 -3.754 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -10.820 -8.268 -5.614 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.353 -7.592 -6.295 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -8.862 -9.504 -7.514 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -9.520 -10.583 -6.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.893 -10.548 -8.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.755 -9.916 -6.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -11.118 -8.871 -8.134 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.067 -9.496 -2.342 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.745 -9.174 -1.833 1.00 1.00 C ATOM 1565 C CYS A 105 -3.019 -10.483 -1.520 1.00 1.00 C ATOM 1566 O CYS A 105 -1.829 -10.625 -1.793 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.818 -8.256 -0.611 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.631 -6.510 -1.128 1.00 1.00 S ATOM 0 H CYS A 105 -5.747 -9.759 -1.628 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.186 -8.621 -2.588 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.771 -8.392 -0.100 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.034 -8.519 0.099 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.697 -5.739 -0.084 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.771 -11.421 -0.943 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.253 -12.733 -0.572 1.00 1.00 C ATOM 1575 C HIS A 106 -4.207 -13.832 -1.077 1.00 1.00 C ATOM 1576 O HIS A 106 -4.950 -14.443 -0.313 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.006 -12.759 0.944 1.00 1.00 C ATOM 1578 CG HIS A 106 -1.990 -11.779 1.483 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.740 -11.709 1.016 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.083 -10.828 2.471 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.080 -10.751 1.687 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.863 -10.175 2.597 1.00 1.00 N ATOM 0 H HIS A 106 -4.758 -11.290 -0.720 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.294 -12.932 -1.049 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -3.956 -12.576 1.447 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.688 -13.765 1.220 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -2.966 -10.621 3.057 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.951 -10.483 1.511 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.621 -9.423 3.242 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.165 -14.065 -2.390 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.974 -15.054 -3.070 1.00 1.00 C ATOM 1592 C PRO A 107 -4.528 -16.450 -2.657 1.00 1.00 C ATOM 1593 O PRO A 107 -4.453 -17.351 -3.489 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.718 -14.815 -4.556 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.017 -13.452 -4.664 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.303 -13.364 -3.317 1.00 1.00 C ATOM 0 HA PRO A 107 -6.034 -14.974 -2.829 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -4.095 -15.606 -4.974 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.653 -14.816 -5.116 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.319 -13.416 -5.500 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.727 -12.637 -4.805 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.316 -13.824 -3.363 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.158 -12.327 -3.014 1.00 1.00 H new