USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 687 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 13 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 150:sc=-0.00743 USER MOD Single : A 1 THR N :NH3+ -101:sc= 0.702 (180deg=0.0335) USER MOD Single : A 1 THR OG1 : rot -70:sc= 0.272 USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.0592 (180deg=-0.759) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= -0.0119 (180deg=-0.357) USER MOD Single : A 10 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.132) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.06) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -1.15 (180deg=-1.53) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.51 F(o=-2.1,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.000359 X(o=-0.00036,f=0) USER MOD Single : A 31 MET CE :methyl -164:sc= 0 (180deg=-0.334) USER MOD Single : A 33 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-9.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.0248 (180deg=-0.0248) USER MOD Single : A 38 SER OG : rot 84:sc= 0.185 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.105) USER MOD Single : A 43 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -148:sc= 0.0408 USER MOD Single : A 50 TYR OH : rot -74:sc= 0.824 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 55 GLN : amide:sc=-0.00404 X(o=-0.004,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.2) USER MOD Single : A 71 SER OG : rot -7:sc= 0.75 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 23.371 -7.961 -8.052 1.00 0.00 N ATOM 2 CA THR A 1 23.127 -6.492 -7.957 1.00 0.00 C ATOM 3 C THR A 1 21.673 -6.225 -7.557 1.00 0.00 C ATOM 4 O THR A 1 20.772 -6.308 -8.367 1.00 0.00 O ATOM 5 CB THR A 1 23.407 -5.951 -9.360 1.00 0.00 C ATOM 6 OG1 THR A 1 24.150 -6.913 -10.097 1.00 0.00 O ATOM 7 CG2 THR A 1 24.208 -4.653 -9.259 1.00 0.00 C ATOM 0 H1 THR A 1 23.858 -8.288 -7.193 1.00 0.00 H new ATOM 0 H2 THR A 1 22.463 -8.458 -8.146 1.00 0.00 H new ATOM 0 H3 THR A 1 23.963 -8.162 -8.883 1.00 0.00 H new ATOM 0 HA THR A 1 23.756 -6.015 -7.205 1.00 0.00 H new ATOM 0 HB THR A 1 22.463 -5.753 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 1 25.058 -6.973 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 1 24.407 -4.269 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 1 23.637 -3.916 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 1 25.153 -4.847 -8.751 1.00 0.00 H new ATOM 17 N LYS A 2 21.440 -5.908 -6.312 1.00 0.00 N ATOM 18 CA LYS A 2 20.045 -5.637 -5.860 1.00 0.00 C ATOM 19 C LYS A 2 19.943 -4.225 -5.272 1.00 0.00 C ATOM 20 O LYS A 2 20.443 -3.951 -4.200 1.00 0.00 O ATOM 21 CB LYS A 2 19.767 -6.690 -4.787 1.00 0.00 C ATOM 22 CG LYS A 2 20.909 -6.694 -3.769 1.00 0.00 C ATOM 23 CD LYS A 2 20.340 -6.875 -2.361 1.00 0.00 C ATOM 24 CE LYS A 2 21.487 -6.905 -1.348 1.00 0.00 C ATOM 25 NZ LYS A 2 22.175 -8.204 -1.585 1.00 0.00 N ATOM 0 H LYS A 2 22.155 -5.825 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 2 19.327 -5.690 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.822 -6.476 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.670 -7.674 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.609 -7.498 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.467 -5.760 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.655 -6.061 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.767 -7.800 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.166 -6.066 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.113 -6.837 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.666 -8.500 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.474 -8.925 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.867 -8.095 -2.354 1.00 0.00 H new ATOM 39 N ALA A 3 19.303 -3.326 -5.969 1.00 0.00 N ATOM 40 CA ALA A 3 19.176 -1.934 -5.450 1.00 0.00 C ATOM 41 C ALA A 3 18.008 -1.835 -4.462 1.00 0.00 C ATOM 42 O ALA A 3 17.504 -2.829 -3.979 1.00 0.00 O ATOM 43 CB ALA A 3 18.907 -1.075 -6.685 1.00 0.00 C ATOM 0 H ALA A 3 18.863 -3.495 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 3 20.069 -1.613 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.801 -0.032 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.739 -1.170 -7.383 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.989 -1.410 -7.168 1.00 0.00 H new ATOM 49 N SER A 4 17.579 -0.639 -4.157 1.00 0.00 N ATOM 50 CA SER A 4 16.448 -0.469 -3.199 1.00 0.00 C ATOM 51 C SER A 4 15.210 0.060 -3.932 1.00 0.00 C ATOM 52 O SER A 4 15.093 -0.064 -5.134 1.00 0.00 O ATOM 53 CB SER A 4 16.950 0.550 -2.176 1.00 0.00 C ATOM 54 OG SER A 4 17.936 1.376 -2.782 1.00 0.00 O ATOM 0 H SER A 4 17.964 0.229 -4.531 1.00 0.00 H new ATOM 0 HA SER A 4 16.156 -1.407 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.121 1.159 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.370 0.037 -1.311 1.00 0.00 H new ATOM 0 HG SER A 4 18.259 2.032 -2.130 1.00 0.00 H new ATOM 60 N CYS A 5 14.283 0.646 -3.221 1.00 0.00 N ATOM 61 CA CYS A 5 13.057 1.176 -3.891 1.00 0.00 C ATOM 62 C CYS A 5 12.739 2.579 -3.368 1.00 0.00 C ATOM 63 O CYS A 5 12.772 2.830 -2.180 1.00 0.00 O ATOM 64 CB CYS A 5 11.924 0.204 -3.529 1.00 0.00 C ATOM 65 SG CYS A 5 12.543 -1.501 -3.489 1.00 0.00 S ATOM 0 H CYS A 5 14.320 0.781 -2.211 1.00 0.00 H new ATOM 0 HA CYS A 5 13.188 1.251 -4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.505 0.469 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.117 0.288 -4.257 1.00 0.00 H new ATOM 70 N LYS A 6 12.431 3.496 -4.244 1.00 0.00 N ATOM 71 CA LYS A 6 12.112 4.882 -3.793 1.00 0.00 C ATOM 72 C LYS A 6 10.658 4.963 -3.316 1.00 0.00 C ATOM 73 O LYS A 6 9.737 4.976 -4.108 1.00 0.00 O ATOM 74 CB LYS A 6 12.322 5.759 -5.028 1.00 0.00 C ATOM 75 CG LYS A 6 12.529 7.211 -4.595 1.00 0.00 C ATOM 76 CD LYS A 6 14.014 7.456 -4.321 1.00 0.00 C ATOM 77 CE LYS A 6 14.466 8.724 -5.050 1.00 0.00 C ATOM 78 NZ LYS A 6 14.481 8.353 -6.493 1.00 0.00 N ATOM 0 H LYS A 6 12.386 3.346 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 6 12.737 5.198 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.187 5.410 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.459 5.686 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.176 7.887 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.944 7.421 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.185 7.560 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.602 6.602 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.783 9.552 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.453 9.042 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.339 8.734 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.474 7.317 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.641 8.748 -6.962 1.00 0.00 H new ATOM 92 N LEU A 7 10.447 5.021 -2.029 1.00 0.00 N ATOM 93 CA LEU A 7 9.053 5.102 -1.501 1.00 0.00 C ATOM 94 C LEU A 7 8.222 6.082 -2.343 1.00 0.00 C ATOM 95 O LEU A 7 8.368 7.281 -2.209 1.00 0.00 O ATOM 96 CB LEU A 7 9.203 5.624 -0.073 1.00 0.00 C ATOM 97 CG LEU A 7 10.080 6.876 -0.077 1.00 0.00 C ATOM 98 CD1 LEU A 7 9.332 8.024 0.603 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.375 6.588 0.684 1.00 0.00 C ATOM 0 H LEU A 7 11.179 5.016 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 7 8.542 4.140 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.224 5.855 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.648 4.857 0.561 1.00 0.00 H new ATOM 0 HG LEU A 7 10.315 7.155 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.957 8.917 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.407 8.226 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.098 7.748 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.003 7.479 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.139 6.311 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.907 5.769 0.200 1.00 0.00 H new ATOM 111 N PRO A 8 7.374 5.544 -3.188 1.00 0.00 N ATOM 112 CA PRO A 8 6.519 6.393 -4.052 1.00 0.00 C ATOM 113 C PRO A 8 5.607 7.285 -3.203 1.00 0.00 C ATOM 114 O PRO A 8 5.329 8.414 -3.553 1.00 0.00 O ATOM 115 CB PRO A 8 5.705 5.362 -4.841 1.00 0.00 C ATOM 116 CG PRO A 8 6.129 3.949 -4.394 1.00 0.00 C ATOM 117 CD PRO A 8 7.223 4.076 -3.326 1.00 0.00 C ATOM 0 HA PRO A 8 7.083 7.074 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.639 5.509 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.874 5.486 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.272 3.407 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.498 3.378 -5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.928 3.609 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.152 3.601 -3.640 1.00 0.00 H new ATOM 125 N VAL A 9 5.141 6.789 -2.088 1.00 0.00 N ATOM 126 CA VAL A 9 4.251 7.615 -1.223 1.00 0.00 C ATOM 127 C VAL A 9 4.877 7.805 0.160 1.00 0.00 C ATOM 128 O VAL A 9 5.580 6.948 0.658 1.00 0.00 O ATOM 129 CB VAL A 9 2.951 6.821 -1.117 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.864 7.704 -0.501 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.510 6.376 -2.514 1.00 0.00 C ATOM 0 H VAL A 9 5.338 5.851 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 9 4.089 8.611 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 9 3.111 5.945 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.935 7.138 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.176 8.025 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.705 8.579 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.582 5.809 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.350 7.253 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.284 5.749 -2.957 1.00 0.00 H new ATOM 141 N LYS A 10 4.628 8.925 0.782 1.00 0.00 N ATOM 142 CA LYS A 10 5.207 9.175 2.133 1.00 0.00 C ATOM 143 C LYS A 10 4.238 8.704 3.220 1.00 0.00 C ATOM 144 O LYS A 10 4.412 8.990 4.388 1.00 0.00 O ATOM 145 CB LYS A 10 5.396 10.691 2.204 1.00 0.00 C ATOM 146 CG LYS A 10 6.827 11.049 1.799 1.00 0.00 C ATOM 147 CD LYS A 10 6.908 12.544 1.483 1.00 0.00 C ATOM 148 CE LYS A 10 7.492 12.740 0.083 1.00 0.00 C ATOM 149 NZ LYS A 10 8.931 12.385 0.215 1.00 0.00 N ATOM 0 H LYS A 10 4.048 9.679 0.413 1.00 0.00 H new ATOM 0 HA LYS A 10 6.142 8.638 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.685 11.188 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.194 11.046 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.518 10.799 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.127 10.465 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.916 12.993 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.530 13.049 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.993 12.102 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.368 13.768 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.516 13.170 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.155 12.208 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.130 11.529 -0.341 1.00 0.00 H new ATOM 163 N LYS A 11 3.215 7.985 2.845 1.00 0.00 N ATOM 164 CA LYS A 11 2.234 7.498 3.857 1.00 0.00 C ATOM 165 C LYS A 11 1.465 6.292 3.309 1.00 0.00 C ATOM 166 O LYS A 11 0.254 6.231 3.380 1.00 0.00 O ATOM 167 CB LYS A 11 1.288 8.678 4.086 1.00 0.00 C ATOM 168 CG LYS A 11 1.705 9.430 5.352 1.00 0.00 C ATOM 169 CD LYS A 11 0.474 10.068 5.997 1.00 0.00 C ATOM 170 CE LYS A 11 0.684 10.170 7.510 1.00 0.00 C ATOM 171 NZ LYS A 11 -0.681 10.064 8.096 1.00 0.00 N ATOM 0 H LYS A 11 3.016 7.714 1.882 1.00 0.00 H new ATOM 0 HA LYS A 11 2.716 7.175 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.312 9.349 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.262 8.322 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.182 8.746 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.439 10.198 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.302 11.058 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.413 9.472 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.333 9.373 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.157 11.114 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.620 10.126 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.274 10.840 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.104 9.153 7.828 1.00 0.00 H new ATOM 185 N ALA A 12 2.160 5.333 2.762 1.00 0.00 N ATOM 186 CA ALA A 12 1.470 4.132 2.209 1.00 0.00 C ATOM 187 C ALA A 12 1.328 3.053 3.287 1.00 0.00 C ATOM 188 O ALA A 12 2.237 2.807 4.055 1.00 0.00 O ATOM 189 CB ALA A 12 2.376 3.643 1.078 1.00 0.00 C ATOM 0 H ALA A 12 3.176 5.329 2.674 1.00 0.00 H new ATOM 0 HA ALA A 12 0.464 4.361 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.937 2.758 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.479 4.428 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.358 3.394 1.480 1.00 0.00 H new ATOM 195 N THR A 13 0.196 2.403 3.345 1.00 0.00 N ATOM 196 CA THR A 13 -0.002 1.336 4.370 1.00 0.00 C ATOM 197 C THR A 13 -0.057 -0.036 3.696 1.00 0.00 C ATOM 198 O THR A 13 -1.097 -0.478 3.249 1.00 0.00 O ATOM 199 CB THR A 13 -1.342 1.663 5.032 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.681 3.018 4.769 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.233 1.446 6.543 1.00 0.00 C ATOM 0 H THR A 13 -0.600 2.564 2.728 1.00 0.00 H new ATOM 0 HA THR A 13 0.811 1.303 5.095 1.00 0.00 H new ATOM 0 HB THR A 13 -2.116 1.010 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.342 3.323 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.188 1.679 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.974 0.406 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.459 2.098 6.949 1.00 0.00 H new ATOM 209 N VAL A 14 1.055 -0.715 3.616 1.00 0.00 N ATOM 210 CA VAL A 14 1.066 -2.058 2.968 1.00 0.00 C ATOM 211 C VAL A 14 1.038 -3.160 4.031 1.00 0.00 C ATOM 212 O VAL A 14 0.950 -2.893 5.213 1.00 0.00 O ATOM 213 CB VAL A 14 2.373 -2.108 2.179 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.382 -0.991 1.132 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.555 -1.919 3.133 1.00 0.00 C ATOM 0 H VAL A 14 1.957 -0.398 3.971 1.00 0.00 H new ATOM 0 HA VAL A 14 0.198 -2.213 2.328 1.00 0.00 H new ATOM 0 HB VAL A 14 2.458 -3.074 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.315 -1.027 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.542 -1.124 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.296 -0.025 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.487 -1.955 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.469 -0.953 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.551 -2.714 3.879 1.00 0.00 H new ATOM 225 N VAL A 15 1.111 -4.397 3.620 1.00 0.00 N ATOM 226 CA VAL A 15 1.088 -5.512 4.607 1.00 0.00 C ATOM 227 C VAL A 15 2.324 -6.399 4.437 1.00 0.00 C ATOM 228 O VAL A 15 2.304 -7.379 3.719 1.00 0.00 O ATOM 229 CB VAL A 15 -0.184 -6.298 4.287 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.382 -7.395 5.335 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.384 -5.349 4.306 1.00 0.00 C ATOM 0 H VAL A 15 1.186 -4.683 2.644 1.00 0.00 H new ATOM 0 HA VAL A 15 1.097 -5.151 5.636 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.095 -6.752 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.289 -7.956 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.474 -8.069 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.473 -6.943 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.292 -5.907 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.474 -4.896 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.241 -4.567 3.560 1.00 0.00 H new ATOM 241 N TYR A 16 3.398 -6.063 5.096 1.00 0.00 N ATOM 242 CA TYR A 16 4.633 -6.887 4.978 1.00 0.00 C ATOM 243 C TYR A 16 4.523 -8.125 5.871 1.00 0.00 C ATOM 244 O TYR A 16 4.072 -8.050 6.996 1.00 0.00 O ATOM 245 CB TYR A 16 5.761 -5.977 5.464 1.00 0.00 C ATOM 246 CG TYR A 16 6.983 -6.181 4.602 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.820 -7.281 4.824 1.00 0.00 C ATOM 248 CD2 TYR A 16 7.280 -5.270 3.582 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.955 -7.470 4.026 1.00 0.00 C ATOM 250 CE2 TYR A 16 8.415 -5.459 2.784 1.00 0.00 C ATOM 251 CZ TYR A 16 9.252 -6.558 3.006 1.00 0.00 C ATOM 252 OH TYR A 16 10.370 -6.744 2.219 1.00 0.00 O ATOM 0 H TYR A 16 3.474 -5.253 5.711 1.00 0.00 H new ATOM 0 HA TYR A 16 4.802 -7.239 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.444 -4.935 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.997 -6.198 6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.590 -7.984 5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.634 -4.422 3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.601 -8.319 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.644 -4.756 1.997 1.00 0.00 H new ATOM 0 HH TYR A 16 10.306 -6.178 1.421 1.00 0.00 H new ATOM 262 N GLN A 17 4.931 -9.263 5.382 1.00 0.00 N ATOM 263 CA GLN A 17 4.846 -10.498 6.211 1.00 0.00 C ATOM 264 C GLN A 17 3.444 -10.641 6.808 1.00 0.00 C ATOM 265 O GLN A 17 3.267 -11.196 7.875 1.00 0.00 O ATOM 266 CB GLN A 17 5.878 -10.299 7.318 1.00 0.00 C ATOM 267 CG GLN A 17 7.286 -10.420 6.734 1.00 0.00 C ATOM 268 CD GLN A 17 8.099 -11.410 7.568 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.206 -11.116 7.975 1.00 0.00 O ATOM 270 NE2 GLN A 17 7.594 -12.582 7.841 1.00 0.00 N ATOM 0 H GLN A 17 5.318 -9.391 4.447 1.00 0.00 H new ATOM 0 HA GLN A 17 5.036 -11.400 5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.747 -9.320 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.733 -11.042 8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.234 -10.757 5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.774 -9.445 6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.665 -12.829 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.128 -13.251 8.396 1.00 0.00 H new ATOM 279 N GLY A 18 2.446 -10.148 6.129 1.00 0.00 N ATOM 280 CA GLY A 18 1.057 -10.257 6.659 1.00 0.00 C ATOM 281 C GLY A 18 0.844 -9.221 7.766 1.00 0.00 C ATOM 282 O GLY A 18 -0.190 -9.186 8.403 1.00 0.00 O ATOM 0 H GLY A 18 2.532 -9.674 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.338 -10.098 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.884 -11.260 7.048 1.00 0.00 H new ATOM 286 N GLU A 19 1.811 -8.377 7.998 1.00 0.00 N ATOM 287 CA GLU A 19 1.657 -7.345 9.065 1.00 0.00 C ATOM 288 C GLU A 19 1.471 -5.961 8.439 1.00 0.00 C ATOM 289 O GLU A 19 2.214 -5.560 7.566 1.00 0.00 O ATOM 290 CB GLU A 19 2.957 -7.400 9.865 1.00 0.00 C ATOM 291 CG GLU A 19 2.737 -8.212 11.144 1.00 0.00 C ATOM 292 CD GLU A 19 1.945 -7.375 12.150 1.00 0.00 C ATOM 293 OE1 GLU A 19 1.095 -6.613 11.719 1.00 0.00 O ATOM 294 OE2 GLU A 19 2.201 -7.511 13.335 1.00 0.00 O ATOM 0 H GLU A 19 2.699 -8.356 7.497 1.00 0.00 H new ATOM 0 HA GLU A 19 0.786 -7.530 9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.746 -7.853 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.286 -6.391 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.198 -9.131 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.696 -8.503 11.572 1.00 0.00 H new ATOM 301 N ARG A 20 0.485 -5.231 8.878 1.00 0.00 N ATOM 302 CA ARG A 20 0.253 -3.873 8.308 1.00 0.00 C ATOM 303 C ARG A 20 1.351 -2.911 8.771 1.00 0.00 C ATOM 304 O ARG A 20 1.742 -2.910 9.922 1.00 0.00 O ATOM 305 CB ARG A 20 -1.107 -3.442 8.855 1.00 0.00 C ATOM 306 CG ARG A 20 -2.163 -4.485 8.484 1.00 0.00 C ATOM 307 CD ARG A 20 -3.214 -4.568 9.594 1.00 0.00 C ATOM 308 NE ARG A 20 -2.759 -5.682 10.472 1.00 0.00 N ATOM 309 CZ ARG A 20 -3.513 -6.087 11.458 1.00 0.00 C ATOM 310 NH1 ARG A 20 -4.180 -5.219 12.169 1.00 0.00 N ATOM 311 NH2 ARG A 20 -3.599 -7.359 11.734 1.00 0.00 N ATOM 0 H ARG A 20 -0.171 -5.515 9.606 1.00 0.00 H new ATOM 0 HA ARG A 20 0.271 -3.872 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.056 -3.331 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.383 -2.469 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.637 -4.218 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.693 -5.458 8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.279 -3.631 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.205 -4.767 9.186 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.858 -6.129 10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.112 -4.224 11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.769 -5.536 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.077 -8.038 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.188 -7.675 12.504 1.00 0.00 H new ATOM 325 N VAL A 21 1.853 -2.096 7.885 1.00 0.00 N ATOM 326 CA VAL A 21 2.928 -1.138 8.279 1.00 0.00 C ATOM 327 C VAL A 21 3.002 0.020 7.281 1.00 0.00 C ATOM 328 O VAL A 21 2.483 -0.057 6.185 1.00 0.00 O ATOM 329 CB VAL A 21 4.226 -1.952 8.251 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.322 -2.801 9.520 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.235 -2.867 7.022 1.00 0.00 C ATOM 0 H VAL A 21 1.567 -2.051 6.907 1.00 0.00 H new ATOM 0 HA VAL A 21 2.744 -0.701 9.260 1.00 0.00 H new ATOM 0 HB VAL A 21 5.077 -1.273 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.245 -3.380 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.320 -2.150 10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.469 -3.478 9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.159 -3.444 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.384 -3.546 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.168 -2.262 6.118 1.00 0.00 H new ATOM 341 N LYS A 22 3.642 1.095 7.654 1.00 0.00 N ATOM 342 CA LYS A 22 3.751 2.260 6.730 1.00 0.00 C ATOM 343 C LYS A 22 5.127 2.279 6.059 1.00 0.00 C ATOM 344 O LYS A 22 6.144 2.414 6.710 1.00 0.00 O ATOM 345 CB LYS A 22 3.572 3.488 7.622 1.00 0.00 C ATOM 346 CG LYS A 22 2.080 3.773 7.807 1.00 0.00 C ATOM 347 CD LYS A 22 1.648 4.876 6.839 1.00 0.00 C ATOM 348 CE LYS A 22 0.719 5.855 7.560 1.00 0.00 C ATOM 349 NZ LYS A 22 0.163 6.722 6.485 1.00 0.00 N ATOM 0 H LYS A 22 4.095 1.217 8.560 1.00 0.00 H new ATOM 0 HA LYS A 22 3.011 2.224 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.043 3.319 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.065 4.351 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.501 2.868 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.882 4.078 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.523 5.403 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.138 4.441 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.074 5.328 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.263 6.443 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.151 7.625 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.897 6.903 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.645 6.245 6.038 1.00 0.00 H new ATOM 363 N ILE A 23 5.166 2.143 4.762 1.00 0.00 N ATOM 364 CA ILE A 23 6.478 2.152 4.051 1.00 0.00 C ATOM 365 C ILE A 23 7.247 3.438 4.370 1.00 0.00 C ATOM 366 O ILE A 23 8.462 3.461 4.368 1.00 0.00 O ATOM 367 CB ILE A 23 6.121 2.094 2.565 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.406 2.090 1.733 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.279 3.316 2.195 1.00 0.00 C ATOM 370 CD1 ILE A 23 7.050 2.112 0.244 1.00 0.00 C ATOM 0 H ILE A 23 4.348 2.026 4.164 1.00 0.00 H new ATOM 0 HA ILE A 23 7.116 1.321 4.351 1.00 0.00 H new ATOM 0 HB ILE A 23 5.553 1.186 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.017 2.957 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.998 1.204 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.024 3.275 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.365 3.321 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.847 4.224 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.965 2.109 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.456 1.232 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.476 3.011 0.020 1.00 0.00 H new ATOM 382 N GLN A 24 6.549 4.506 4.641 1.00 0.00 N ATOM 383 CA GLN A 24 7.242 5.787 4.959 1.00 0.00 C ATOM 384 C GLN A 24 8.089 5.634 6.226 1.00 0.00 C ATOM 385 O GLN A 24 8.966 6.429 6.497 1.00 0.00 O ATOM 386 CB GLN A 24 6.119 6.800 5.186 1.00 0.00 C ATOM 387 CG GLN A 24 5.290 6.377 6.400 1.00 0.00 C ATOM 388 CD GLN A 24 5.011 7.598 7.280 1.00 0.00 C ATOM 389 OE1 GLN A 24 3.776 7.944 7.521 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 5.926 8.242 7.754 1.00 0.00 N flip ATOM 0 H GLN A 24 5.530 4.548 4.656 1.00 0.00 H new ATOM 0 HA GLN A 24 7.918 6.097 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.538 7.794 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.484 6.860 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.351 5.929 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.824 5.618 6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.891 7.972 7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.729 9.053 8.340 1.00 0.00 H new ATOM 399 N GLU A 25 7.834 4.617 7.001 1.00 0.00 N ATOM 400 CA GLU A 25 8.626 4.414 8.248 1.00 0.00 C ATOM 401 C GLU A 25 9.457 3.133 8.140 1.00 0.00 C ATOM 402 O GLU A 25 10.640 3.123 8.416 1.00 0.00 O ATOM 403 CB GLU A 25 7.589 4.289 9.364 1.00 0.00 C ATOM 404 CG GLU A 25 7.041 5.674 9.712 1.00 0.00 C ATOM 405 CD GLU A 25 5.911 5.533 10.733 1.00 0.00 C ATOM 406 OE1 GLU A 25 5.424 4.427 10.899 1.00 0.00 O ATOM 407 OE2 GLU A 25 5.551 6.534 11.331 1.00 0.00 O ATOM 0 H GLU A 25 7.112 3.918 6.826 1.00 0.00 H new ATOM 0 HA GLU A 25 9.323 5.232 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.777 3.634 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.041 3.834 10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.836 6.300 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.673 6.168 8.813 1.00 0.00 H new ATOM 414 N LYS A 26 8.846 2.053 7.737 1.00 0.00 N ATOM 415 CA LYS A 26 9.602 0.774 7.607 1.00 0.00 C ATOM 416 C LYS A 26 10.711 0.924 6.563 1.00 0.00 C ATOM 417 O LYS A 26 11.657 0.161 6.532 1.00 0.00 O ATOM 418 CB LYS A 26 8.565 -0.252 7.149 1.00 0.00 C ATOM 419 CG LYS A 26 9.221 -1.629 7.043 1.00 0.00 C ATOM 420 CD LYS A 26 8.530 -2.600 8.003 1.00 0.00 C ATOM 421 CE LYS A 26 9.579 -3.507 8.653 1.00 0.00 C ATOM 422 NZ LYS A 26 9.569 -3.134 10.096 1.00 0.00 N ATOM 0 H LYS A 26 7.857 2.000 7.492 1.00 0.00 H new ATOM 0 HA LYS A 26 10.082 0.477 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.735 -0.286 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.150 0.040 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.150 -2.000 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.282 -1.557 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.987 -2.046 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.797 -3.201 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.331 -4.559 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.563 -3.351 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.263 -3.714 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.815 -2.129 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.621 -3.299 10.491 1.00 0.00 H new ATOM 436 N PHE A 27 10.603 1.903 5.707 1.00 0.00 N ATOM 437 CA PHE A 27 11.651 2.108 4.666 1.00 0.00 C ATOM 438 C PHE A 27 11.932 3.602 4.488 1.00 0.00 C ATOM 439 O PHE A 27 11.816 4.141 3.405 1.00 0.00 O ATOM 440 CB PHE A 27 11.059 1.519 3.386 1.00 0.00 C ATOM 441 CG PHE A 27 11.013 0.013 3.496 1.00 0.00 C ATOM 442 CD1 PHE A 27 12.200 -0.715 3.641 1.00 0.00 C ATOM 443 CD2 PHE A 27 9.784 -0.654 3.450 1.00 0.00 C ATOM 444 CE1 PHE A 27 12.157 -2.111 3.742 1.00 0.00 C ATOM 445 CE2 PHE A 27 9.741 -2.050 3.552 1.00 0.00 C ATOM 446 CZ PHE A 27 10.927 -2.778 3.697 1.00 0.00 C ATOM 0 H PHE A 27 9.833 2.571 5.683 1.00 0.00 H new ATOM 0 HA PHE A 27 12.596 1.635 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 27 10.056 1.913 3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.661 1.813 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 27 13.149 -0.200 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.869 -0.092 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.072 -2.673 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.792 -2.565 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.894 -3.855 3.774 1.00 0.00 H new ATOM 456 N LYS A 28 12.295 4.276 5.545 1.00 0.00 N ATOM 457 CA LYS A 28 12.579 5.738 5.438 1.00 0.00 C ATOM 458 C LYS A 28 13.462 6.021 4.220 1.00 0.00 C ATOM 459 O LYS A 28 13.219 6.944 3.469 1.00 0.00 O ATOM 460 CB LYS A 28 13.317 6.093 6.730 1.00 0.00 C ATOM 461 CG LYS A 28 12.726 7.376 7.317 1.00 0.00 C ATOM 462 CD LYS A 28 11.588 7.021 8.278 1.00 0.00 C ATOM 463 CE LYS A 28 11.664 7.921 9.513 1.00 0.00 C ATOM 464 NZ LYS A 28 11.015 7.136 10.600 1.00 0.00 N ATOM 0 H LYS A 28 12.408 3.879 6.478 1.00 0.00 H new ATOM 0 HA LYS A 28 11.670 6.326 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.229 5.277 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.380 6.228 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.498 7.937 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.354 8.017 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.626 7.147 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.660 5.974 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.697 8.162 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.147 8.866 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.028 7.687 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.031 6.927 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.533 6.245 10.741 1.00 0.00 H new ATOM 478 N ASN A 29 14.485 5.236 4.019 1.00 0.00 N ATOM 479 CA ASN A 29 15.381 5.466 2.849 1.00 0.00 C ATOM 480 C ASN A 29 15.021 4.502 1.716 1.00 0.00 C ATOM 481 O ASN A 29 15.855 3.769 1.223 1.00 0.00 O ATOM 482 CB ASN A 29 16.791 5.183 3.367 1.00 0.00 C ATOM 483 CG ASN A 29 17.227 6.315 4.298 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.823 7.280 3.863 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.953 6.238 5.571 1.00 0.00 N ATOM 0 H ASN A 29 14.739 4.447 4.613 1.00 0.00 H new ATOM 0 HA ASN A 29 15.291 6.476 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.811 4.232 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.486 5.096 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.239 6.988 6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.453 5.428 5.937 1.00 0.00 H new ATOM 492 N GLY A 30 13.784 4.496 1.301 1.00 0.00 N ATOM 493 CA GLY A 30 13.371 3.579 0.202 1.00 0.00 C ATOM 494 C GLY A 30 13.390 2.135 0.706 1.00 0.00 C ATOM 495 O GLY A 30 13.851 1.854 1.794 1.00 0.00 O ATOM 0 H GLY A 30 13.042 5.087 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.372 3.840 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.044 3.687 -0.648 1.00 0.00 H new ATOM 499 N MET A 31 12.892 1.217 -0.077 1.00 0.00 N ATOM 500 CA MET A 31 12.882 -0.209 0.359 1.00 0.00 C ATOM 501 C MET A 31 14.044 -0.970 -0.286 1.00 0.00 C ATOM 502 O MET A 31 15.030 -0.388 -0.695 1.00 0.00 O ATOM 503 CB MET A 31 11.541 -0.758 -0.129 1.00 0.00 C ATOM 504 CG MET A 31 10.416 0.181 0.311 1.00 0.00 C ATOM 505 SD MET A 31 8.879 -0.758 0.486 1.00 0.00 S ATOM 506 CE MET A 31 8.706 -1.239 -1.249 1.00 0.00 C ATOM 0 H MET A 31 12.492 1.392 -0.999 1.00 0.00 H new ATOM 0 HA MET A 31 12.999 -0.314 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.548 -0.851 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.375 -1.756 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.674 0.656 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.286 0.978 -0.421 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.688 -1.584 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.919 -0.381 -1.887 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.407 -2.042 -1.475 1.00 0.00 H new ATOM 516 N LEU A 32 13.937 -2.268 -0.381 1.00 0.00 N ATOM 517 CA LEU A 32 15.035 -3.065 -1.000 1.00 0.00 C ATOM 518 C LEU A 32 14.549 -3.722 -2.294 1.00 0.00 C ATOM 519 O LEU A 32 13.367 -3.922 -2.494 1.00 0.00 O ATOM 520 CB LEU A 32 15.389 -4.130 0.040 1.00 0.00 C ATOM 521 CG LEU A 32 16.267 -3.509 1.127 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.387 -3.022 2.279 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.253 -4.558 1.647 1.00 0.00 C ATOM 0 H LEU A 32 13.137 -2.811 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 32 15.895 -2.447 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.480 -4.539 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.913 -4.959 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 32 16.818 -2.666 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.013 -2.579 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.685 -2.275 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.835 -3.864 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.879 -4.116 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.701 -5.401 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.881 -4.905 0.827 1.00 0.00 H new ATOM 535 N HIS A 33 15.450 -4.059 -3.174 1.00 0.00 N ATOM 536 CA HIS A 33 15.036 -4.702 -4.454 1.00 0.00 C ATOM 537 C HIS A 33 14.426 -6.080 -4.179 1.00 0.00 C ATOM 538 O HIS A 33 14.921 -6.838 -3.369 1.00 0.00 O ATOM 539 CB HIS A 33 16.323 -4.836 -5.267 1.00 0.00 C ATOM 540 CG HIS A 33 16.082 -5.746 -6.441 1.00 0.00 C ATOM 541 ND1 HIS A 33 14.892 -5.735 -7.149 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.868 -6.699 -7.041 1.00 0.00 C ATOM 543 CE1 HIS A 33 14.993 -6.653 -8.127 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.177 -7.270 -8.106 1.00 0.00 N ATOM 0 H HIS A 33 16.454 -3.918 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 33 14.281 -4.120 -4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.650 -3.856 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.121 -5.235 -4.641 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.869 -6.965 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.212 -6.865 -8.842 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.505 -8.003 -8.735 1.00 0.00 H new ATOM 552 N GLY A 34 13.356 -6.408 -4.850 1.00 0.00 N ATOM 553 CA GLY A 34 12.717 -7.737 -4.629 1.00 0.00 C ATOM 554 C GLY A 34 11.807 -7.684 -3.399 1.00 0.00 C ATOM 555 O GLY A 34 11.190 -8.665 -3.033 1.00 0.00 O ATOM 0 H GLY A 34 12.897 -5.814 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.138 -8.022 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.484 -8.500 -4.492 1.00 0.00 H new ATOM 559 N ASP A 35 11.714 -6.551 -2.756 1.00 0.00 N ATOM 560 CA ASP A 35 10.839 -6.449 -1.551 1.00 0.00 C ATOM 561 C ASP A 35 9.391 -6.790 -1.921 1.00 0.00 C ATOM 562 O ASP A 35 8.962 -6.580 -3.039 1.00 0.00 O ATOM 563 CB ASP A 35 10.948 -4.993 -1.100 1.00 0.00 C ATOM 564 CG ASP A 35 12.120 -4.844 -0.127 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.882 -5.789 -0.001 1.00 0.00 O ATOM 566 OD2 ASP A 35 12.235 -3.789 0.474 1.00 0.00 O ATOM 0 H ASP A 35 12.204 -5.694 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 35 11.139 -7.141 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.094 -4.344 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.021 -4.680 -0.619 1.00 0.00 H new ATOM 571 N LYS A 36 8.636 -7.315 -0.993 1.00 0.00 N ATOM 572 CA LYS A 36 7.219 -7.668 -1.300 1.00 0.00 C ATOM 573 C LYS A 36 6.273 -7.034 -0.278 1.00 0.00 C ATOM 574 O LYS A 36 6.404 -7.228 0.914 1.00 0.00 O ATOM 575 CB LYS A 36 7.157 -9.191 -1.204 1.00 0.00 C ATOM 576 CG LYS A 36 7.443 -9.806 -2.575 1.00 0.00 C ATOM 577 CD LYS A 36 6.477 -10.967 -2.826 1.00 0.00 C ATOM 578 CE LYS A 36 5.913 -10.868 -4.246 1.00 0.00 C ATOM 579 NZ LYS A 36 4.451 -10.657 -4.066 1.00 0.00 N ATOM 0 H LYS A 36 8.938 -7.514 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 36 6.914 -7.305 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.884 -9.549 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.174 -9.503 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.332 -9.052 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.473 -10.160 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.993 -11.918 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.665 -10.942 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.366 -10.042 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.114 -11.776 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.994 -10.579 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.045 -11.462 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.290 -9.782 -3.528 1.00 0.00 H new ATOM 593 N VAL A 37 5.315 -6.284 -0.742 1.00 0.00 N ATOM 594 CA VAL A 37 4.345 -5.638 0.188 1.00 0.00 C ATOM 595 C VAL A 37 2.937 -5.686 -0.417 1.00 0.00 C ATOM 596 O VAL A 37 2.768 -5.603 -1.616 1.00 0.00 O ATOM 597 CB VAL A 37 4.826 -4.194 0.327 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.265 -4.183 0.852 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.779 -3.504 -1.038 1.00 0.00 C ATOM 0 H VAL A 37 5.160 -6.089 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 37 4.296 -6.139 1.155 1.00 0.00 H new ATOM 0 HB VAL A 37 4.178 -3.663 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.608 -3.153 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.301 -4.673 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.911 -4.715 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.122 -2.474 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.425 -4.035 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.756 -3.510 -1.414 1.00 0.00 H new ATOM 609 N SER A 38 1.928 -5.824 0.397 1.00 0.00 N ATOM 610 CA SER A 38 0.540 -5.882 -0.149 1.00 0.00 C ATOM 611 C SER A 38 -0.189 -4.557 0.099 1.00 0.00 C ATOM 612 O SER A 38 -0.048 -3.943 1.137 1.00 0.00 O ATOM 613 CB SER A 38 -0.138 -7.018 0.615 1.00 0.00 C ATOM 614 OG SER A 38 0.854 -7.920 1.091 1.00 0.00 O ATOM 0 H SER A 38 2.002 -5.899 1.412 1.00 0.00 H new ATOM 0 HA SER A 38 0.529 -6.050 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.713 -6.618 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.840 -7.541 -0.035 1.00 0.00 H new ATOM 0 HG SER A 38 1.214 -7.592 1.941 1.00 0.00 H new ATOM 620 N PHE A 39 -0.973 -4.113 -0.848 1.00 0.00 N ATOM 621 CA PHE A 39 -1.715 -2.831 -0.663 1.00 0.00 C ATOM 622 C PHE A 39 -3.175 -3.125 -0.305 1.00 0.00 C ATOM 623 O PHE A 39 -3.674 -4.204 -0.546 1.00 0.00 O ATOM 624 CB PHE A 39 -1.619 -2.114 -2.009 1.00 0.00 C ATOM 625 CG PHE A 39 -0.269 -1.449 -2.126 1.00 0.00 C ATOM 626 CD1 PHE A 39 -0.063 -0.182 -1.567 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.777 -2.098 -2.795 1.00 0.00 C ATOM 628 CE1 PHE A 39 1.189 0.436 -1.675 1.00 0.00 C ATOM 629 CE2 PHE A 39 2.029 -1.479 -2.902 1.00 0.00 C ATOM 630 CZ PHE A 39 2.234 -0.213 -2.342 1.00 0.00 C ATOM 0 H PHE A 39 -1.131 -4.582 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.304 -2.223 0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.759 -2.825 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.412 -1.371 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.870 0.319 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.618 -3.075 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.348 1.413 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.836 -1.979 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.200 0.264 -2.425 1.00 0.00 H new ATOM 640 N PHE A 40 -3.862 -2.181 0.277 1.00 0.00 N ATOM 641 CA PHE A 40 -5.284 -2.430 0.653 1.00 0.00 C ATOM 642 C PHE A 40 -6.235 -1.905 -0.427 1.00 0.00 C ATOM 643 O PHE A 40 -6.068 -0.818 -0.943 1.00 0.00 O ATOM 644 CB PHE A 40 -5.489 -1.664 1.961 1.00 0.00 C ATOM 645 CG PHE A 40 -5.168 -2.565 3.129 1.00 0.00 C ATOM 646 CD1 PHE A 40 -6.010 -3.639 3.436 1.00 0.00 C ATOM 647 CD2 PHE A 40 -4.028 -2.324 3.907 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.715 -4.474 4.520 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.733 -3.159 4.991 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.576 -4.234 5.297 1.00 0.00 C ATOM 0 H PHE A 40 -3.504 -1.254 0.508 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.493 -3.494 0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.849 -0.782 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.518 -1.313 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.889 -3.824 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.378 -1.495 3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.366 -5.303 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.855 -2.974 5.592 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.347 -4.878 6.133 1.00 0.00 H new ATOM 660 N CYS A 41 -7.238 -2.673 -0.761 1.00 0.00 N ATOM 661 CA CYS A 41 -8.217 -2.228 -1.796 1.00 0.00 C ATOM 662 C CYS A 41 -9.633 -2.633 -1.378 1.00 0.00 C ATOM 663 O CYS A 41 -9.835 -3.222 -0.335 1.00 0.00 O ATOM 664 CB CYS A 41 -7.811 -2.955 -3.076 1.00 0.00 C ATOM 665 SG CYS A 41 -8.417 -2.034 -4.511 1.00 0.00 S ATOM 0 H CYS A 41 -7.422 -3.593 -0.360 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.214 -1.146 -1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.726 -3.051 -3.124 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.221 -3.965 -3.079 1.00 0.00 H new ATOM 670 N LYS A 42 -10.614 -2.328 -2.181 1.00 0.00 N ATOM 671 CA LYS A 42 -12.011 -2.704 -1.820 1.00 0.00 C ATOM 672 C LYS A 42 -12.625 -3.601 -2.893 1.00 0.00 C ATOM 673 O LYS A 42 -12.375 -3.446 -4.071 1.00 0.00 O ATOM 674 CB LYS A 42 -12.771 -1.384 -1.729 1.00 0.00 C ATOM 675 CG LYS A 42 -12.624 -0.612 -3.042 1.00 0.00 C ATOM 676 CD LYS A 42 -11.521 0.439 -2.895 1.00 0.00 C ATOM 677 CE LYS A 42 -12.108 1.717 -2.293 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.724 2.437 -3.442 1.00 0.00 N ATOM 0 H LYS A 42 -10.510 -1.836 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.050 -3.264 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.825 -1.573 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.387 -0.788 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.382 -1.297 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.567 -0.131 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.724 0.057 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.077 0.653 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.849 1.488 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.335 2.321 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.167 3.289 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.738 1.814 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.697 2.712 -3.198 1.00 0.00 H new ATOM 692 N ASN A 43 -13.433 -4.535 -2.485 1.00 0.00 N ATOM 693 CA ASN A 43 -14.081 -5.451 -3.468 1.00 0.00 C ATOM 694 C ASN A 43 -15.584 -5.170 -3.536 1.00 0.00 C ATOM 695 O ASN A 43 -16.253 -5.076 -2.525 1.00 0.00 O ATOM 696 CB ASN A 43 -13.823 -6.858 -2.932 1.00 0.00 C ATOM 697 CG ASN A 43 -13.942 -7.868 -4.074 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.028 -8.293 -4.413 1.00 0.00 O ATOM 699 ND2 ASN A 43 -12.862 -8.270 -4.688 1.00 0.00 N ATOM 0 H ASN A 43 -13.676 -4.707 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.686 -5.322 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.830 -6.912 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.539 -7.096 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.930 -8.941 -5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.950 -7.913 -4.403 1.00 0.00 H new ATOM 706 N LYS A 44 -16.121 -5.033 -4.717 1.00 0.00 N ATOM 707 CA LYS A 44 -17.581 -4.757 -4.843 1.00 0.00 C ATOM 708 C LYS A 44 -18.368 -6.071 -4.864 1.00 0.00 C ATOM 709 O LYS A 44 -19.412 -6.189 -4.255 1.00 0.00 O ATOM 710 CB LYS A 44 -17.730 -4.019 -6.174 1.00 0.00 C ATOM 711 CG LYS A 44 -17.432 -4.979 -7.326 1.00 0.00 C ATOM 712 CD LYS A 44 -17.420 -4.204 -8.647 1.00 0.00 C ATOM 713 CE LYS A 44 -18.752 -4.411 -9.374 1.00 0.00 C ATOM 714 NZ LYS A 44 -18.379 -4.647 -10.796 1.00 0.00 N ATOM 0 H LYS A 44 -15.613 -5.100 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.965 -4.172 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.740 -3.621 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.048 -3.169 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.469 -5.465 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.185 -5.767 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.259 -3.143 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.595 -4.545 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.299 -5.260 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.397 -3.538 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.240 -4.798 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.866 -3.820 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.771 -5.488 -10.860 1.00 0.00 H new ATOM 728 N GLU A 45 -17.876 -7.058 -5.561 1.00 0.00 N ATOM 729 CA GLU A 45 -18.598 -8.362 -5.619 1.00 0.00 C ATOM 730 C GLU A 45 -18.514 -9.072 -4.266 1.00 0.00 C ATOM 731 O GLU A 45 -19.265 -9.985 -3.986 1.00 0.00 O ATOM 732 CB GLU A 45 -17.873 -9.169 -6.696 1.00 0.00 C ATOM 733 CG GLU A 45 -18.877 -10.062 -7.425 1.00 0.00 C ATOM 734 CD GLU A 45 -18.307 -10.467 -8.786 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.291 -9.913 -9.169 1.00 0.00 O ATOM 736 OE2 GLU A 45 -18.898 -11.324 -9.421 1.00 0.00 O ATOM 0 H GLU A 45 -17.006 -7.019 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.657 -8.239 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.387 -8.497 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.090 -9.778 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.090 -10.950 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.821 -9.533 -7.557 1.00 0.00 H new ATOM 743 N LYS A 46 -17.604 -8.661 -3.427 1.00 0.00 N ATOM 744 CA LYS A 46 -17.473 -9.313 -2.092 1.00 0.00 C ATOM 745 C LYS A 46 -17.906 -8.344 -0.988 1.00 0.00 C ATOM 746 O LYS A 46 -18.276 -8.750 0.094 1.00 0.00 O ATOM 747 CB LYS A 46 -15.988 -9.650 -1.962 1.00 0.00 C ATOM 748 CG LYS A 46 -15.634 -10.775 -2.936 1.00 0.00 C ATOM 749 CD LYS A 46 -15.836 -12.128 -2.252 1.00 0.00 C ATOM 750 CE LYS A 46 -14.575 -12.499 -1.468 1.00 0.00 C ATOM 751 NZ LYS A 46 -14.982 -13.643 -0.605 1.00 0.00 N ATOM 0 H LYS A 46 -16.946 -7.903 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.100 -10.199 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.384 -8.768 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.761 -9.954 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.259 -10.709 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.600 -10.673 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.694 -12.083 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.053 -12.894 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.762 -12.779 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.221 -11.660 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.169 -13.955 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.753 -13.345 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.308 -14.429 -1.202 1.00 0.00 H new ATOM 765 N LYS A 47 -17.866 -7.068 -1.259 1.00 0.00 N ATOM 766 CA LYS A 47 -18.277 -6.064 -0.232 1.00 0.00 C ATOM 767 C LYS A 47 -17.259 -6.019 0.912 1.00 0.00 C ATOM 768 O LYS A 47 -17.596 -5.724 2.042 1.00 0.00 O ATOM 769 CB LYS A 47 -19.641 -6.534 0.281 1.00 0.00 C ATOM 770 CG LYS A 47 -20.494 -7.033 -0.888 1.00 0.00 C ATOM 771 CD LYS A 47 -21.835 -6.294 -0.892 1.00 0.00 C ATOM 772 CE LYS A 47 -22.426 -6.315 -2.303 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.290 -5.104 -2.375 1.00 0.00 N ATOM 0 H LYS A 47 -17.565 -6.674 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.329 -5.058 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.509 -7.331 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.150 -5.715 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.972 -6.867 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.658 -8.107 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.524 -6.765 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.696 -5.265 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.642 -6.287 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.003 -7.223 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.732 -5.048 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.031 -5.162 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.712 -4.255 -2.213 1.00 0.00 H new ATOM 787 N CYS A 48 -16.016 -6.301 0.629 1.00 0.00 N ATOM 788 CA CYS A 48 -14.978 -6.263 1.703 1.00 0.00 C ATOM 789 C CYS A 48 -13.644 -5.809 1.114 1.00 0.00 C ATOM 790 O CYS A 48 -13.505 -5.650 -0.082 1.00 0.00 O ATOM 791 CB CYS A 48 -14.826 -7.694 2.239 1.00 0.00 C ATOM 792 SG CYS A 48 -16.346 -8.656 2.023 1.00 0.00 S ATOM 0 H CYS A 48 -15.673 -6.556 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.269 -5.572 2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.005 -8.191 1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.564 -7.661 3.296 1.00 0.00 H new ATOM 797 N SER A 49 -12.657 -5.613 1.941 1.00 0.00 N ATOM 798 CA SER A 49 -11.330 -5.188 1.422 1.00 0.00 C ATOM 799 C SER A 49 -10.371 -6.381 1.393 1.00 0.00 C ATOM 800 O SER A 49 -10.666 -7.445 1.906 1.00 0.00 O ATOM 801 CB SER A 49 -10.838 -4.133 2.409 1.00 0.00 C ATOM 802 OG SER A 49 -9.870 -4.711 3.276 1.00 0.00 O ATOM 0 H SER A 49 -12.712 -5.729 2.953 1.00 0.00 H new ATOM 0 HA SER A 49 -11.389 -4.799 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.403 -3.291 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.675 -3.743 2.989 1.00 0.00 H new ATOM 0 HG SER A 49 -9.920 -4.281 4.155 1.00 0.00 H new ATOM 808 N TYR A 50 -9.227 -6.204 0.798 1.00 0.00 N ATOM 809 CA TYR A 50 -8.232 -7.313 0.732 1.00 0.00 C ATOM 810 C TYR A 50 -6.844 -6.739 0.443 1.00 0.00 C ATOM 811 O TYR A 50 -6.691 -5.556 0.213 1.00 0.00 O ATOM 812 CB TYR A 50 -8.699 -8.209 -0.416 1.00 0.00 C ATOM 813 CG TYR A 50 -8.931 -7.375 -1.653 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.847 -6.998 -2.456 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.229 -6.984 -2.000 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.062 -6.230 -3.606 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.444 -6.216 -3.151 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.361 -5.839 -3.953 1.00 0.00 C ATOM 819 OH TYR A 50 -9.574 -5.083 -5.088 1.00 0.00 O ATOM 0 H TYR A 50 -8.935 -5.335 0.351 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.164 -7.869 1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.951 -8.976 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.618 -8.725 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.845 -7.300 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.065 -7.274 -1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.227 -5.939 -4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.446 -5.915 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.284 -4.161 -4.926 1.00 0.00 H new ATOM 829 N THR A 51 -5.830 -7.558 0.455 1.00 0.00 N ATOM 830 CA THR A 51 -4.462 -7.035 0.181 1.00 0.00 C ATOM 831 C THR A 51 -3.993 -7.450 -1.214 1.00 0.00 C ATOM 832 O THR A 51 -4.294 -8.526 -1.691 1.00 0.00 O ATOM 833 CB THR A 51 -3.565 -7.663 1.246 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.887 -9.040 1.383 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.775 -6.950 2.583 1.00 0.00 C ATOM 0 H THR A 51 -5.887 -8.559 0.641 1.00 0.00 H new ATOM 0 HA THR A 51 -4.437 -5.946 0.214 1.00 0.00 H new ATOM 0 HB THR A 51 -2.522 -7.562 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.311 -9.444 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.134 -7.401 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.524 -5.895 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.817 -7.046 2.887 1.00 0.00 H new ATOM 843 N GLU A 52 -3.244 -6.604 -1.863 1.00 0.00 N ATOM 844 CA GLU A 52 -2.732 -6.939 -3.222 1.00 0.00 C ATOM 845 C GLU A 52 -1.204 -6.986 -3.189 1.00 0.00 C ATOM 846 O GLU A 52 -0.535 -6.003 -3.440 1.00 0.00 O ATOM 847 CB GLU A 52 -3.222 -5.806 -4.126 1.00 0.00 C ATOM 848 CG GLU A 52 -4.149 -6.377 -5.202 1.00 0.00 C ATOM 849 CD GLU A 52 -4.939 -5.240 -5.854 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.587 -4.095 -5.627 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.882 -5.536 -6.570 1.00 0.00 O ATOM 0 H GLU A 52 -2.962 -5.690 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.080 -7.909 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.750 -5.058 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.373 -5.304 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.566 -6.907 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.833 -7.102 -4.760 1.00 0.00 H new ATOM 858 N ASP A 53 -0.649 -8.120 -2.861 1.00 0.00 N ATOM 859 CA ASP A 53 0.836 -8.236 -2.787 1.00 0.00 C ATOM 860 C ASP A 53 1.508 -7.482 -3.937 1.00 0.00 C ATOM 861 O ASP A 53 1.019 -7.442 -5.047 1.00 0.00 O ATOM 862 CB ASP A 53 1.128 -9.731 -2.892 1.00 0.00 C ATOM 863 CG ASP A 53 0.420 -10.474 -1.757 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.742 -10.803 -1.925 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.053 -10.701 -0.740 1.00 0.00 O ATOM 0 H ASP A 53 -1.161 -8.974 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 53 1.223 -7.803 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.789 -10.111 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.203 -9.906 -2.840 1.00 0.00 H new ATOM 870 N ALA A 54 2.642 -6.898 -3.668 1.00 0.00 N ATOM 871 CA ALA A 54 3.384 -6.152 -4.724 1.00 0.00 C ATOM 872 C ALA A 54 4.880 -6.445 -4.586 1.00 0.00 C ATOM 873 O ALA A 54 5.325 -6.960 -3.578 1.00 0.00 O ATOM 874 CB ALA A 54 3.095 -4.674 -4.455 1.00 0.00 C ATOM 0 H ALA A 54 3.091 -6.905 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 54 3.083 -6.436 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.610 -4.062 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.022 -4.495 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.447 -4.410 -3.458 1.00 0.00 H new ATOM 880 N GLN A 55 5.665 -6.137 -5.581 1.00 0.00 N ATOM 881 CA GLN A 55 7.124 -6.423 -5.475 1.00 0.00 C ATOM 882 C GLN A 55 7.954 -5.254 -6.001 1.00 0.00 C ATOM 883 O GLN A 55 7.482 -4.429 -6.757 1.00 0.00 O ATOM 884 CB GLN A 55 7.346 -7.668 -6.334 1.00 0.00 C ATOM 885 CG GLN A 55 8.714 -8.274 -6.013 1.00 0.00 C ATOM 886 CD GLN A 55 8.812 -9.668 -6.633 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.162 -10.620 -5.964 1.00 0.00 O ATOM 888 NE2 GLN A 55 8.517 -9.831 -7.894 1.00 0.00 N ATOM 0 H GLN A 55 5.364 -5.704 -6.454 1.00 0.00 H new ATOM 0 HA GLN A 55 7.431 -6.574 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.560 -8.398 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.291 -7.408 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.507 -7.635 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.853 -8.334 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.223 -9.032 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.580 -10.757 -8.317 1.00 0.00 H new ATOM 897 N CYS A 56 9.194 -5.181 -5.600 1.00 0.00 N ATOM 898 CA CYS A 56 10.062 -4.068 -6.068 1.00 0.00 C ATOM 899 C CYS A 56 11.162 -4.588 -6.989 1.00 0.00 C ATOM 900 O CYS A 56 11.458 -5.766 -7.027 1.00 0.00 O ATOM 901 CB CYS A 56 10.665 -3.469 -4.800 1.00 0.00 C ATOM 902 SG CYS A 56 11.955 -2.286 -5.253 1.00 0.00 S ATOM 0 H CYS A 56 9.642 -5.845 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 56 9.499 -3.331 -6.641 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.891 -2.974 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.082 -4.258 -4.174 1.00 0.00 H new ATOM 907 N ILE A 57 11.766 -3.709 -7.735 1.00 0.00 N ATOM 908 CA ILE A 57 12.847 -4.126 -8.666 1.00 0.00 C ATOM 909 C ILE A 57 14.113 -3.302 -8.405 1.00 0.00 C ATOM 910 O ILE A 57 14.145 -2.447 -7.543 1.00 0.00 O ATOM 911 CB ILE A 57 12.289 -3.843 -10.062 1.00 0.00 C ATOM 912 CG1 ILE A 57 10.890 -4.456 -10.181 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.204 -4.460 -11.121 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.844 -3.443 -9.712 1.00 0.00 C ATOM 0 H ILE A 57 11.555 -2.711 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 57 13.125 -5.173 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 57 12.235 -2.765 -10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.695 -4.744 -11.214 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.827 -5.363 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.802 -4.255 -12.113 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.201 -4.027 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.262 -5.538 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.849 -3.881 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.035 -3.177 -8.672 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.901 -2.548 -10.332 1.00 0.00 H new ATOM 926 N ASP A 58 15.157 -3.569 -9.135 1.00 0.00 N ATOM 927 CA ASP A 58 16.435 -2.828 -8.936 1.00 0.00 C ATOM 928 C ASP A 58 16.225 -1.305 -8.928 1.00 0.00 C ATOM 929 O ASP A 58 16.381 -0.646 -9.936 1.00 0.00 O ATOM 930 CB ASP A 58 17.305 -3.235 -10.126 1.00 0.00 C ATOM 931 CG ASP A 58 18.781 -3.111 -9.748 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.224 -1.997 -9.529 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.444 -4.134 -9.684 1.00 0.00 O ATOM 0 H ASP A 58 15.181 -4.276 -9.869 1.00 0.00 H new ATOM 0 HA ASP A 58 16.886 -3.069 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.079 -4.260 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.084 -2.601 -10.985 1.00 0.00 H new ATOM 938 N GLY A 59 15.916 -0.739 -7.791 1.00 0.00 N ATOM 939 CA GLY A 59 15.747 0.744 -7.711 1.00 0.00 C ATOM 940 C GLY A 59 14.347 1.182 -8.155 1.00 0.00 C ATOM 941 O GLY A 59 13.839 2.189 -7.702 1.00 0.00 O ATOM 0 H GLY A 59 15.773 -1.239 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.924 1.075 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.495 1.229 -8.337 1.00 0.00 H new ATOM 945 N THR A 60 13.721 0.464 -9.044 1.00 0.00 N ATOM 946 CA THR A 60 12.367 0.891 -9.504 1.00 0.00 C ATOM 947 C THR A 60 11.288 -0.075 -9.016 1.00 0.00 C ATOM 948 O THR A 60 11.493 -1.267 -8.949 1.00 0.00 O ATOM 949 CB THR A 60 12.443 0.871 -11.028 1.00 0.00 C ATOM 950 OG1 THR A 60 13.512 1.703 -11.459 1.00 0.00 O ATOM 951 CG2 THR A 60 11.125 1.382 -11.611 1.00 0.00 C ATOM 0 H THR A 60 14.081 -0.390 -9.469 1.00 0.00 H new ATOM 0 HA THR A 60 12.102 1.873 -9.113 1.00 0.00 H new ATOM 0 HB THR A 60 12.618 -0.149 -11.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.563 1.690 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.179 1.368 -12.700 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.308 0.741 -11.280 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.947 2.402 -11.270 1.00 0.00 H new ATOM 959 N ILE A 61 10.133 0.438 -8.685 1.00 0.00 N ATOM 960 CA ILE A 61 9.027 -0.444 -8.210 1.00 0.00 C ATOM 961 C ILE A 61 7.680 0.108 -8.680 1.00 0.00 C ATOM 962 O ILE A 61 7.542 1.281 -8.967 1.00 0.00 O ATOM 963 CB ILE A 61 9.120 -0.423 -6.686 1.00 0.00 C ATOM 964 CG1 ILE A 61 8.168 -1.487 -6.102 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.764 0.974 -6.166 1.00 0.00 C ATOM 966 CD1 ILE A 61 6.812 -0.878 -5.734 1.00 0.00 C ATOM 0 H ILE A 61 9.907 1.432 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 61 9.109 -1.458 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 61 10.138 -0.656 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.025 -2.287 -6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.620 -1.936 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.831 0.985 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.459 1.704 -6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.748 1.227 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.164 -1.653 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.955 -0.095 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.351 -0.452 -6.625 1.00 0.00 H new ATOM 978 N GLU A 62 6.691 -0.732 -8.765 1.00 0.00 N ATOM 979 CA GLU A 62 5.352 -0.262 -9.223 1.00 0.00 C ATOM 980 C GLU A 62 4.314 -0.451 -8.114 1.00 0.00 C ATOM 981 O GLU A 62 4.398 -1.367 -7.322 1.00 0.00 O ATOM 982 CB GLU A 62 5.016 -1.141 -10.429 1.00 0.00 C ATOM 983 CG GLU A 62 6.134 -1.029 -11.468 1.00 0.00 C ATOM 984 CD GLU A 62 6.018 -2.178 -12.471 1.00 0.00 C ATOM 985 OE1 GLU A 62 5.212 -2.064 -13.380 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.734 -3.152 -12.313 1.00 0.00 O ATOM 0 H GLU A 62 6.749 -1.725 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 62 5.352 0.798 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.899 -2.178 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.067 -0.831 -10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.068 -0.072 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.106 -1.059 -10.976 1.00 0.00 H new ATOM 993 N VAL A 63 3.337 0.413 -8.051 1.00 0.00 N ATOM 994 CA VAL A 63 2.296 0.284 -6.992 1.00 0.00 C ATOM 995 C VAL A 63 0.933 -0.048 -7.621 1.00 0.00 C ATOM 996 O VAL A 63 0.583 0.499 -8.648 1.00 0.00 O ATOM 997 CB VAL A 63 2.255 1.655 -6.318 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.893 2.722 -7.351 1.00 0.00 C ATOM 999 CG2 VAL A 63 1.204 1.643 -5.205 1.00 0.00 C ATOM 0 H VAL A 63 3.215 1.202 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 63 2.520 -0.515 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 63 3.233 1.881 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.864 3.699 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.641 2.730 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.915 2.498 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.173 2.620 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.226 1.417 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.463 0.883 -4.468 1.00 0.00 H new ATOM 1009 N PRO A 64 0.202 -0.934 -6.986 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.131 -1.331 -7.501 1.00 0.00 C ATOM 1011 C PRO A 64 -2.082 -0.130 -7.524 1.00 0.00 C ATOM 1012 O PRO A 64 -2.319 0.503 -6.513 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.592 -2.373 -6.476 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.497 -2.533 -5.405 1.00 0.00 C ATOM 1015 CD PRO A 64 0.660 -1.581 -5.734 1.00 0.00 C ATOM 0 HA PRO A 64 -1.108 -1.710 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.529 -2.060 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.782 -3.327 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.900 -2.310 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.142 -3.563 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.825 -0.854 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.598 -2.117 -5.875 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.634 0.185 -8.665 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.572 1.342 -8.742 1.00 0.00 C ATOM 1025 C LYS A 65 -4.551 1.298 -7.566 1.00 0.00 C ATOM 1026 O LYS A 65 -5.082 2.307 -7.148 1.00 0.00 O ATOM 1027 CB LYS A 65 -4.316 1.163 -10.066 1.00 0.00 C ATOM 1028 CG LYS A 65 -4.963 -0.223 -10.103 1.00 0.00 C ATOM 1029 CD LYS A 65 -5.916 -0.310 -11.296 1.00 0.00 C ATOM 1030 CE LYS A 65 -5.267 -1.136 -12.408 1.00 0.00 C ATOM 1031 NZ LYS A 65 -5.588 -2.551 -12.073 1.00 0.00 N ATOM 0 H LYS A 65 -2.477 -0.307 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.055 2.300 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.078 1.935 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.626 1.276 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.195 -0.992 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.506 -0.407 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.857 -0.767 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.151 0.690 -11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.663 -0.862 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.190 -0.973 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.176 -3.180 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.193 -2.785 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.620 -2.678 -12.053 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.792 0.133 -7.031 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.734 0.019 -5.883 1.00 0.00 C ATOM 1047 C CYS A 66 -5.335 0.995 -4.773 1.00 0.00 C ATOM 1048 O CYS A 66 -6.172 1.542 -4.083 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.595 -1.426 -5.402 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.034 -2.381 -5.941 1.00 0.00 S ATOM 0 H CYS A 66 -4.377 -0.746 -7.340 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.760 0.260 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.682 -1.867 -5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.513 -1.453 -4.315 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.062 1.219 -4.600 1.00 0.00 N ATOM 1056 CA PHE A 67 -3.608 2.161 -3.537 1.00 0.00 C ATOM 1057 C PHE A 67 -4.420 3.459 -3.603 1.00 0.00 C ATOM 1058 O PHE A 67 -4.604 4.034 -4.656 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.136 2.425 -3.856 1.00 0.00 C ATOM 1060 CG PHE A 67 -1.656 3.627 -3.080 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -1.630 3.594 -1.681 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -1.236 4.776 -3.761 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -1.184 4.710 -0.962 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -0.789 5.890 -3.043 1.00 0.00 C ATOM 1065 CZ PHE A 67 -0.763 5.858 -1.644 1.00 0.00 C ATOM 0 H PHE A 67 -3.316 0.791 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.742 1.757 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.536 1.552 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.010 2.596 -4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.954 2.708 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.257 4.802 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.165 4.685 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.464 6.776 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.418 6.719 -1.091 1.00 0.00 H new ATOM 1075 N LYS A 68 -4.910 3.921 -2.484 1.00 0.00 N ATOM 1076 CA LYS A 68 -5.714 5.179 -2.484 1.00 0.00 C ATOM 1077 C LYS A 68 -4.849 6.370 -2.906 1.00 0.00 C ATOM 1078 O LYS A 68 -4.485 7.201 -2.098 1.00 0.00 O ATOM 1079 CB LYS A 68 -6.184 5.346 -1.037 1.00 0.00 C ATOM 1080 CG LYS A 68 -4.972 5.346 -0.102 1.00 0.00 C ATOM 1081 CD LYS A 68 -5.022 6.580 0.802 1.00 0.00 C ATOM 1082 CE LYS A 68 -4.900 6.148 2.265 1.00 0.00 C ATOM 1083 NZ LYS A 68 -3.530 6.564 2.676 1.00 0.00 N ATOM 0 H LYS A 68 -4.789 3.483 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.547 5.133 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.739 6.278 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.863 4.537 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.967 4.439 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.051 5.346 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.213 7.265 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.957 7.119 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.660 6.627 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.034 5.072 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.371 6.301 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.828 6.087 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.434 7.594 2.571 1.00 0.00 H new ATOM 1097 N GLU A 69 -4.516 6.459 -4.165 1.00 0.00 N ATOM 1098 CA GLU A 69 -3.674 7.597 -4.634 1.00 0.00 C ATOM 1099 C GLU A 69 -4.556 8.773 -5.070 1.00 0.00 C ATOM 1100 O GLU A 69 -4.220 9.510 -5.974 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.889 7.044 -5.826 1.00 0.00 C ATOM 1102 CG GLU A 69 -1.919 8.109 -6.350 1.00 0.00 C ATOM 1103 CD GLU A 69 -1.203 8.781 -5.175 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -1.821 9.608 -4.526 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.051 8.454 -4.944 1.00 0.00 O ATOM 0 H GLU A 69 -4.790 5.794 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.017 7.972 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.338 6.152 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.576 6.744 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.190 7.652 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.462 8.854 -6.931 1.00 0.00 H new ATOM 1112 N HIS A 70 -5.682 8.956 -4.436 1.00 0.00 N ATOM 1113 CA HIS A 70 -6.574 10.089 -4.822 1.00 0.00 C ATOM 1114 C HIS A 70 -6.243 11.329 -3.987 1.00 0.00 C ATOM 1115 O HIS A 70 -5.467 11.272 -3.054 1.00 0.00 O ATOM 1116 CB HIS A 70 -7.991 9.600 -4.528 1.00 0.00 C ATOM 1117 CG HIS A 70 -8.697 9.309 -5.824 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -10.077 9.232 -5.913 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -8.225 9.076 -7.092 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -10.386 8.963 -7.195 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -9.294 8.857 -7.956 1.00 0.00 N ATOM 0 H HIS A 70 -6.023 8.374 -3.671 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.454 10.372 -5.868 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.957 8.703 -3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.539 10.355 -3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.183 9.064 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.395 8.847 -7.563 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.252 8.658 -8.956 1.00 0.00 H new ATOM 1129 N SER A 71 -6.820 12.453 -4.318 1.00 0.00 N ATOM 1130 CA SER A 71 -6.529 13.693 -3.543 1.00 0.00 C ATOM 1131 C SER A 71 -7.829 14.434 -3.214 1.00 0.00 C ATOM 1132 O SER A 71 -8.402 15.106 -4.048 1.00 0.00 O ATOM 1133 CB SER A 71 -5.650 14.538 -4.463 1.00 0.00 C ATOM 1134 OG SER A 71 -6.467 15.188 -5.428 1.00 0.00 O ATOM 0 H SER A 71 -7.478 12.566 -5.089 1.00 0.00 H new ATOM 0 HA SER A 71 -6.039 13.478 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.098 15.276 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.912 13.908 -4.960 1.00 0.00 H new ATOM 0 HG SER A 71 -7.386 14.854 -5.357 1.00 0.00 H new ATOM 1140 N SER A 72 -8.295 14.317 -2.000 1.00 0.00 N ATOM 1141 CA SER A 72 -9.554 15.015 -1.610 1.00 0.00 C ATOM 1142 C SER A 72 -10.683 14.675 -2.590 1.00 0.00 C ATOM 1143 O SER A 72 -11.397 13.708 -2.416 1.00 0.00 O ATOM 1144 CB SER A 72 -9.217 16.506 -1.673 1.00 0.00 C ATOM 1145 OG SER A 72 -8.766 16.945 -0.396 1.00 0.00 O ATOM 0 H SER A 72 -7.858 13.767 -1.260 1.00 0.00 H new ATOM 0 HA SER A 72 -9.899 14.716 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.447 16.684 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.095 17.076 -1.976 1.00 0.00 H new ATOM 0 HG SER A 72 -8.548 17.900 -0.436 1.00 0.00 H new ATOM 1151 N LEU A 73 -10.851 15.463 -3.618 1.00 0.00 N ATOM 1152 CA LEU A 73 -11.935 15.183 -4.603 1.00 0.00 C ATOM 1153 C LEU A 73 -13.288 15.097 -3.890 1.00 0.00 C ATOM 1154 O LEU A 73 -13.401 15.393 -2.717 1.00 0.00 O ATOM 1155 CB LEU A 73 -11.568 13.836 -5.225 1.00 0.00 C ATOM 1156 CG LEU A 73 -10.455 14.038 -6.254 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -9.893 12.679 -6.673 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -11.022 14.754 -7.483 1.00 0.00 C ATOM 0 H LEU A 73 -10.285 16.288 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.023 15.967 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -11.241 13.142 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.442 13.393 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.660 14.640 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.100 12.824 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.490 12.167 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.688 12.076 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.230 14.899 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.817 14.151 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.423 15.723 -7.187 1.00 0.00 H new ATOM 1170 N ALA A 74 -14.314 14.691 -4.588 1.00 0.00 N ATOM 1171 CA ALA A 74 -15.656 14.588 -3.945 1.00 0.00 C ATOM 1172 C ALA A 74 -15.544 13.839 -2.613 1.00 0.00 C ATOM 1173 O ALA A 74 -14.504 13.312 -2.273 1.00 0.00 O ATOM 1174 CB ALA A 74 -16.513 13.799 -4.936 1.00 0.00 C ATOM 0 H ALA A 74 -14.282 14.427 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 74 -16.087 15.565 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -17.519 13.681 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -16.562 14.336 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -16.070 12.817 -5.099 1.00 0.00 H new ATOM 1180 N PHE A 75 -16.605 13.792 -1.855 1.00 0.00 N ATOM 1181 CA PHE A 75 -16.554 13.080 -0.545 1.00 0.00 C ATOM 1182 C PHE A 75 -17.361 11.781 -0.611 1.00 0.00 C ATOM 1183 O PHE A 75 -17.596 11.236 -1.673 1.00 0.00 O ATOM 1184 CB PHE A 75 -17.178 14.051 0.457 1.00 0.00 C ATOM 1185 CG PHE A 75 -16.113 14.550 1.406 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -15.101 15.397 0.941 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -16.140 14.165 2.751 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -14.115 15.859 1.821 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -15.155 14.627 3.632 1.00 0.00 C ATOM 1190 CZ PHE A 75 -14.141 15.474 3.167 1.00 0.00 C ATOM 0 H PHE A 75 -17.504 14.215 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.537 12.803 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.633 14.890 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -17.973 13.555 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.080 15.694 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.921 13.511 3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.334 16.513 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.177 14.330 4.670 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.380 15.830 3.846 1.00 0.00 H new ATOM 1200 N TRP A 76 -17.784 11.278 0.517 1.00 0.00 N ATOM 1201 CA TRP A 76 -18.574 10.014 0.523 1.00 0.00 C ATOM 1202 C TRP A 76 -17.737 8.862 -0.042 1.00 0.00 C ATOM 1203 O TRP A 76 -17.991 8.370 -1.124 1.00 0.00 O ATOM 1204 CB TRP A 76 -19.780 10.294 -0.368 1.00 0.00 C ATOM 1205 CG TRP A 76 -20.990 10.454 0.491 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -21.229 11.507 1.303 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -22.120 9.552 0.647 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -22.442 11.315 1.940 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -23.029 10.121 1.568 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -22.440 8.308 0.079 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -24.218 9.476 1.914 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -23.636 7.655 0.424 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -24.522 8.239 1.340 1.00 0.00 C ATOM 0 H TRP A 76 -17.616 11.688 1.436 1.00 0.00 H new ATOM 0 HA TRP A 76 -18.874 9.720 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -19.613 11.197 -0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -19.925 9.476 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -20.579 12.360 1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -22.852 11.973 2.602 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -21.763 7.850 -0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -24.898 9.930 2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -23.873 6.699 -0.019 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -25.439 7.733 1.602 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.739 8.431 0.680 1.00 0.00 N ATOM 1225 CA LYS A 77 -15.885 7.313 0.181 1.00 0.00 C ATOM 1226 C LYS A 77 -14.927 6.847 1.282 1.00 0.00 C ATOM 1227 O LYS A 77 -14.623 7.578 2.204 1.00 0.00 O ATOM 1228 CB LYS A 77 -15.106 7.909 -0.991 1.00 0.00 C ATOM 1229 CG LYS A 77 -14.548 6.785 -1.864 1.00 0.00 C ATOM 1230 CD LYS A 77 -13.427 7.335 -2.748 1.00 0.00 C ATOM 1231 CE LYS A 77 -13.345 6.519 -4.040 1.00 0.00 C ATOM 1232 NZ LYS A 77 -13.386 7.528 -5.136 1.00 0.00 N ATOM 0 H LYS A 77 -16.477 8.803 1.593 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.471 6.444 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.757 8.553 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.292 8.532 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.169 5.978 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.340 6.363 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.614 8.384 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.476 7.290 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.428 5.932 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.176 5.818 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.334 7.044 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.273 8.067 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.579 8.177 -5.040 1.00 0.00 H new ATOM 1246 N THR A 78 -14.449 5.634 1.193 1.00 0.00 N ATOM 1247 CA THR A 78 -13.510 5.123 2.234 1.00 0.00 C ATOM 1248 C THR A 78 -12.336 4.391 1.576 1.00 0.00 C ATOM 1249 O THR A 78 -12.519 3.561 0.707 1.00 0.00 O ATOM 1250 CB THR A 78 -14.341 4.156 3.078 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.654 4.675 3.236 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.691 3.986 4.453 1.00 0.00 C ATOM 0 H THR A 78 -14.668 4.976 0.445 1.00 0.00 H new ATOM 0 HA THR A 78 -13.085 5.926 2.836 1.00 0.00 H new ATOM 0 HB THR A 78 -14.389 3.188 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.188 4.055 3.776 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.285 3.296 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.684 3.588 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.641 4.953 4.954 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.133 4.691 1.983 1.00 0.00 N ATOM 1261 CA ASP A 79 -9.950 4.011 1.380 1.00 0.00 C ATOM 1262 C ASP A 79 -9.825 2.584 1.923 1.00 0.00 C ATOM 1263 O ASP A 79 -10.007 2.339 3.098 1.00 0.00 O ATOM 1264 CB ASP A 79 -8.749 4.855 1.808 1.00 0.00 C ATOM 1265 CG ASP A 79 -8.688 4.919 3.334 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.700 5.240 3.935 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -7.630 4.645 3.877 1.00 0.00 O ATOM 0 H ASP A 79 -10.917 5.377 2.706 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.027 3.931 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.829 4.423 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.832 5.860 1.394 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.517 1.643 1.073 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.379 0.232 1.539 1.00 0.00 C ATOM 1274 C ALA A 80 -8.522 0.175 2.804 1.00 0.00 C ATOM 1275 O ALA A 80 -8.767 -0.609 3.700 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.687 -0.498 0.387 1.00 0.00 C ATOM 0 H ALA A 80 -9.355 1.789 0.077 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.340 -0.218 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.548 -1.546 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.303 -0.429 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.716 -0.040 0.197 1.00 0.00 H new ATOM 1282 N SER A 81 -7.514 0.999 2.883 1.00 0.00 N ATOM 1283 CA SER A 81 -6.637 0.994 4.091 1.00 0.00 C ATOM 1284 C SER A 81 -7.482 1.040 5.370 1.00 0.00 C ATOM 1285 O SER A 81 -7.025 0.678 6.436 1.00 0.00 O ATOM 1286 CB SER A 81 -5.789 2.259 3.965 1.00 0.00 C ATOM 1287 OG SER A 81 -4.455 1.968 4.361 1.00 0.00 O ATOM 0 H SER A 81 -7.258 1.676 2.164 1.00 0.00 H new ATOM 0 HA SER A 81 -6.026 0.093 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.805 2.621 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.202 3.052 4.589 1.00 0.00 H new ATOM 0 HG SER A 81 -3.834 2.545 3.868 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.708 1.484 5.276 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.568 1.552 6.494 1.00 0.00 C ATOM 1295 C ASP A 82 -10.768 0.609 6.362 1.00 0.00 C ATOM 1296 O ASP A 82 -11.817 0.845 6.928 1.00 0.00 O ATOM 1297 CB ASP A 82 -10.037 3.004 6.565 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.909 3.881 7.109 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -8.602 3.756 8.283 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.371 4.663 6.342 1.00 0.00 O ATOM 0 H ASP A 82 -9.149 1.801 4.413 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.029 1.249 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.335 3.349 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.914 3.082 7.207 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.624 -0.456 5.626 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.759 -1.411 5.468 1.00 0.00 C ATOM 1307 C VAL A 83 -11.385 -2.780 6.042 1.00 0.00 C ATOM 1308 O VAL A 83 -10.227 -3.137 6.115 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.999 -1.513 3.963 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.325 -2.232 3.706 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.058 -0.108 3.358 1.00 0.00 C ATOM 0 H VAL A 83 -9.771 -0.708 5.127 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.650 -1.074 5.998 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.185 -2.073 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.497 -2.305 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.286 -3.233 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.138 -1.671 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.229 -0.181 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.872 0.452 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.115 0.407 3.541 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.358 -3.547 6.448 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.060 -4.891 7.015 1.00 0.00 C ATOM 1323 C LYS A 84 -12.035 -5.940 5.893 1.00 0.00 C ATOM 1324 O LYS A 84 -12.843 -5.885 4.986 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.207 -5.169 7.988 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.536 -5.175 7.229 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.464 -4.108 7.815 1.00 0.00 C ATOM 1328 CE LYS A 84 -16.439 -4.761 8.799 1.00 0.00 C ATOM 1329 NZ LYS A 84 -17.782 -4.598 8.177 1.00 0.00 N ATOM 0 H LYS A 84 -13.347 -3.301 6.412 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.089 -4.931 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.054 -6.129 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.227 -4.409 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.363 -4.980 6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.003 -6.157 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.879 -3.341 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.015 -3.612 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.200 -5.813 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.395 -4.279 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.504 -5.022 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.985 -3.586 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.796 -5.072 7.252 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.110 -6.866 5.983 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.994 -7.926 4.954 1.00 0.00 C ATOM 1345 C PRO A 85 -12.265 -8.776 4.916 1.00 0.00 C ATOM 1346 O PRO A 85 -12.852 -9.075 5.937 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.800 -8.748 5.447 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.272 -8.122 6.752 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.140 -6.906 7.103 1.00 0.00 C ATOM 0 HA PRO A 85 -10.862 -7.541 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.099 -9.782 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.015 -8.764 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.302 -8.853 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.231 -7.821 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.637 -7.027 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.551 -5.991 7.162 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.698 -9.168 3.749 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.934 -9.997 3.661 1.00 0.00 C ATOM 1359 C CYS A 86 -13.857 -11.162 4.653 1.00 0.00 C ATOM 1360 O CYS A 86 -12.784 -11.726 4.791 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.968 -10.520 2.225 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.677 -10.520 1.622 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.872 -11.469 5.256 1.00 0.00 O ATOM 0 H CYS A 86 -12.253 -8.952 2.857 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.830 -9.426 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.345 -9.896 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.557 -11.529 2.184 1.00 0.00 H new TER 1368 CYS A 86