USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 755 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 8 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.1) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.89) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.0935 (180deg=-0.867) USER MOD Single : A 10 TYR OH : rot 15:sc=-0.00609 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 0.00159 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.514 K(o=-0.51,f=-4.5!) USER MOD Single : A 24 ASN : amide:sc= -0.0348 K(o=-0.035,f=-3!) USER MOD Single : A 26 TYR OH : rot 20:sc= 0.351 USER MOD Single : A 31 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.45) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -2.04 (180deg=-4.52) USER MOD Single : A 42 ASN : amide:sc= 0.488 K(o=0.49,f=-0.1) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 1.15 (180deg=0.983) USER MOD Single : A 51 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 52 SER OG : rot 170:sc= 0.639 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 102:sc= 1.11 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 150:sc= -0.069 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.644 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 80:sc= 0.824 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 47:sc= 0.827 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00764 (180deg=-0.117) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.116 USER MOD Single : A 83 ASN : amide:sc= 0.0793 K(o=0.079,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-6.4!) USER MOD Single : A 86 THR OG1 : rot 100:sc= -0.102 USER MOD Single : A 88 SER OG : rot -5:sc= 0.305 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 -4.248 -19.878 -1.831 1.00 0.00 N ATOM 40 CA GLN A 2 -4.476 -18.458 -2.076 1.00 0.00 C ATOM 41 C GLN A 2 -4.438 -17.689 -0.755 1.00 0.00 C ATOM 42 O GLN A 2 -5.480 -17.460 -0.142 1.00 0.00 O ATOM 43 CB GLN A 2 -5.835 -18.260 -2.769 1.00 0.00 C ATOM 44 CG GLN A 2 -5.902 -18.911 -4.159 1.00 0.00 C ATOM 45 CD GLN A 2 -7.214 -18.599 -4.882 1.00 0.00 C ATOM 46 OE1 GLN A 2 -8.133 -18.021 -4.307 1.00 0.00 O ATOM 47 NE2 GLN A 2 -7.301 -18.972 -6.160 1.00 0.00 N ATOM 0 HA GLN A 2 -3.690 -18.075 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.621 -18.678 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.036 -17.193 -2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.065 -18.561 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.793 -19.991 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.518 -19.450 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.150 -18.779 -6.691 1.00 0.00 H new ATOM 56 N ARG A 3 -3.245 -17.267 -0.317 1.00 0.00 N ATOM 57 CA ARG A 3 -3.119 -16.425 0.867 1.00 0.00 C ATOM 58 C ARG A 3 -3.631 -15.015 0.553 1.00 0.00 C ATOM 59 O ARG A 3 -3.420 -14.504 -0.548 1.00 0.00 O ATOM 60 CB ARG A 3 -1.678 -16.417 1.386 1.00 0.00 C ATOM 61 CG ARG A 3 -1.211 -17.827 1.764 1.00 0.00 C ATOM 62 CD ARG A 3 0.176 -17.809 2.415 1.00 0.00 C ATOM 63 NE ARG A 3 0.580 -19.163 2.820 1.00 0.00 N ATOM 64 CZ ARG A 3 1.072 -20.112 2.004 1.00 0.00 C ATOM 65 NH1 ARG A 3 1.339 -19.846 0.717 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.295 -21.343 2.485 1.00 0.00 N ATOM 0 H ARG A 3 -2.359 -17.497 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.734 -16.836 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.017 -16.006 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.607 -15.763 2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.929 -18.277 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.186 -18.454 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.906 -17.401 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.166 -17.152 3.285 1.00 0.00 H new ATOM 0 HE ARG A 3 0.478 -19.404 3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.169 -18.912 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.712 -20.577 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.092 -21.553 3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.668 -22.070 1.874 1.00 0.00 H new ATOM 80 N THR A 4 -4.332 -14.413 1.520 1.00 0.00 N ATOM 81 CA THR A 4 -5.055 -13.154 1.376 1.00 0.00 C ATOM 82 C THR A 4 -4.168 -12.003 1.877 1.00 0.00 C ATOM 83 O THR A 4 -3.483 -12.177 2.884 1.00 0.00 O ATOM 84 CB THR A 4 -6.358 -13.259 2.192 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.110 -14.371 1.746 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.255 -12.020 2.089 1.00 0.00 C ATOM 0 H THR A 4 -4.412 -14.807 2.457 1.00 0.00 H new ATOM 0 HA THR A 4 -5.303 -12.955 0.333 1.00 0.00 H new ATOM 0 HB THR A 4 -6.049 -13.362 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.937 -14.437 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.152 -12.169 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.714 -11.148 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.538 -11.861 1.048 1.00 0.00 H new ATOM 94 N PRO A 5 -4.155 -10.835 1.208 1.00 0.00 N ATOM 95 CA PRO A 5 -3.336 -9.702 1.611 1.00 0.00 C ATOM 96 C PRO A 5 -3.812 -9.104 2.937 1.00 0.00 C ATOM 97 O PRO A 5 -4.856 -8.457 2.992 1.00 0.00 O ATOM 98 CB PRO A 5 -3.414 -8.694 0.459 1.00 0.00 C ATOM 99 CG PRO A 5 -4.735 -9.029 -0.226 1.00 0.00 C ATOM 100 CD PRO A 5 -4.837 -10.542 -0.042 1.00 0.00 C ATOM 0 HA PRO A 5 -2.304 -10.003 1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.401 -7.667 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.571 -8.800 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.574 -8.508 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.727 -8.749 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.878 -10.862 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.372 -11.070 -0.875 1.00 0.00 H new ATOM 108 N LYS A 6 -3.010 -9.293 3.992 1.00 0.00 N ATOM 109 CA LYS A 6 -3.137 -8.574 5.246 1.00 0.00 C ATOM 110 C LYS A 6 -2.572 -7.169 5.020 1.00 0.00 C ATOM 111 O LYS A 6 -1.377 -7.020 4.773 1.00 0.00 O ATOM 112 CB LYS A 6 -2.369 -9.323 6.345 1.00 0.00 C ATOM 113 CG LYS A 6 -2.790 -8.830 7.734 1.00 0.00 C ATOM 114 CD LYS A 6 -1.769 -9.146 8.839 1.00 0.00 C ATOM 115 CE LYS A 6 -1.527 -10.644 9.071 1.00 0.00 C ATOM 116 NZ LYS A 6 -0.565 -11.216 8.110 1.00 0.00 N ATOM 0 H LYS A 6 -2.243 -9.965 3.988 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.176 -8.503 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.557 -10.393 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.297 -9.176 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.947 -7.752 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.747 -9.282 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.820 -8.672 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.111 -8.697 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.157 -10.796 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.474 -11.178 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.019 -11.971 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.079 -11.610 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.083 -10.471 7.782 1.00 0.00 H new ATOM 130 N ILE A 7 -3.446 -6.159 5.059 1.00 0.00 N ATOM 131 CA ILE A 7 -3.134 -4.768 4.749 1.00 0.00 C ATOM 132 C ILE A 7 -2.985 -4.000 6.064 1.00 0.00 C ATOM 133 O ILE A 7 -3.916 -4.013 6.868 1.00 0.00 O ATOM 134 CB ILE A 7 -4.281 -4.190 3.900 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.438 -4.932 2.558 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.052 -2.697 3.638 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.906 -4.997 2.124 1.00 0.00 C ATOM 0 H ILE A 7 -4.423 -6.296 5.317 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.204 -4.686 4.187 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.201 -4.326 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.852 -4.427 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.039 -5.942 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.871 -2.303 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.010 -2.163 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.112 -2.561 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.982 -5.526 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.486 -5.525 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.296 -3.986 2.008 1.00 0.00 H new ATOM 149 N GLN A 8 -1.850 -3.320 6.288 1.00 0.00 N ATOM 150 CA GLN A 8 -1.635 -2.513 7.466 1.00 0.00 C ATOM 151 C GLN A 8 -0.951 -1.203 7.063 1.00 0.00 C ATOM 152 O GLN A 8 0.253 -1.030 7.239 1.00 0.00 O ATOM 153 CB GLN A 8 -0.878 -3.336 8.515 1.00 0.00 C ATOM 154 CG GLN A 8 0.363 -4.107 8.038 1.00 0.00 C ATOM 155 CD GLN A 8 0.062 -5.380 7.250 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.874 -6.107 7.571 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.868 -5.667 6.227 1.00 0.00 N ATOM 0 H GLN A 8 -1.059 -3.324 5.643 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.576 -2.227 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.571 -2.663 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.575 -4.052 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.967 -3.446 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.967 -4.368 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.636 -5.038 5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.717 -6.515 5.681 1.00 0.00 H new ATOM 166 N VAL A 9 -1.744 -0.274 6.515 1.00 0.00 N ATOM 167 CA VAL A 9 -1.271 1.034 6.086 1.00 0.00 C ATOM 168 C VAL A 9 -0.979 1.907 7.303 1.00 0.00 C ATOM 169 O VAL A 9 -1.829 2.027 8.181 1.00 0.00 O ATOM 170 CB VAL A 9 -2.304 1.717 5.173 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.756 3.064 4.681 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.683 0.834 3.977 1.00 0.00 C ATOM 0 H VAL A 9 -2.742 -0.418 6.358 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.352 0.900 5.516 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.208 1.881 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.492 3.542 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.551 3.708 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.835 2.900 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.414 1.354 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.793 0.621 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.112 -0.101 4.337 1.00 0.00 H new ATOM 182 N TYR A 10 0.209 2.524 7.336 1.00 0.00 N ATOM 183 CA TYR A 10 0.634 3.414 8.406 1.00 0.00 C ATOM 184 C TYR A 10 0.797 4.839 7.898 1.00 0.00 C ATOM 185 O TYR A 10 1.228 5.062 6.766 1.00 0.00 O ATOM 186 CB TYR A 10 1.967 2.947 8.991 1.00 0.00 C ATOM 187 CG TYR A 10 2.053 1.460 9.236 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.185 0.847 10.156 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.972 0.685 8.506 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.289 -0.533 10.398 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.094 -0.689 8.767 1.00 0.00 C ATOM 192 CZ TYR A 10 2.270 -1.292 9.735 1.00 0.00 C ATOM 193 OH TYR A 10 2.425 -2.612 10.039 1.00 0.00 O ATOM 0 H TYR A 10 0.909 2.412 6.603 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.137 3.392 9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.769 3.238 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.140 3.469 9.932 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.441 1.434 10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.584 1.147 7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.615 -1.011 11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.818 -1.281 8.227 1.00 0.00 H new ATOM 0 HH TYR A 10 1.645 -2.926 10.542 1.00 0.00 H new ATOM 203 N SER A 11 0.531 5.789 8.794 1.00 0.00 N ATOM 204 CA SER A 11 0.962 7.174 8.683 1.00 0.00 C ATOM 205 C SER A 11 2.215 7.322 9.542 1.00 0.00 C ATOM 206 O SER A 11 2.112 7.516 10.751 1.00 0.00 O ATOM 207 CB SER A 11 -0.159 8.128 9.112 1.00 0.00 C ATOM 208 OG SER A 11 -0.907 7.624 10.197 1.00 0.00 O ATOM 0 H SER A 11 -0.007 5.606 9.641 1.00 0.00 H new ATOM 0 HA SER A 11 1.194 7.436 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.272 9.091 9.387 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.824 8.306 8.267 1.00 0.00 H new ATOM 0 HG SER A 11 -1.608 8.265 10.437 1.00 0.00 H new ATOM 214 N ARG A 12 3.394 7.207 8.913 1.00 0.00 N ATOM 215 CA ARG A 12 4.690 7.300 9.582 1.00 0.00 C ATOM 216 C ARG A 12 4.800 8.625 10.339 1.00 0.00 C ATOM 217 O ARG A 12 5.267 8.645 11.476 1.00 0.00 O ATOM 218 CB ARG A 12 5.810 7.146 8.548 1.00 0.00 C ATOM 219 CG ARG A 12 7.221 7.154 9.157 1.00 0.00 C ATOM 220 CD ARG A 12 8.264 7.164 8.034 1.00 0.00 C ATOM 221 NE ARG A 12 9.635 7.284 8.546 1.00 0.00 N ATOM 222 CZ ARG A 12 10.697 7.640 7.799 1.00 0.00 C ATOM 223 NH1 ARG A 12 10.573 7.849 6.479 1.00 0.00 N ATOM 224 NH2 ARG A 12 11.895 7.792 8.379 1.00 0.00 N ATOM 0 H ARG A 12 3.470 7.044 7.909 1.00 0.00 H new ATOM 0 HA ARG A 12 4.786 6.496 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.664 6.213 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.734 7.954 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.349 8.029 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.360 6.277 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.175 6.247 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.058 7.993 7.357 1.00 0.00 H new ATOM 0 HE ARG A 12 9.793 7.084 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.665 7.739 6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.387 8.118 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.999 7.638 9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.703 8.062 7.818 1.00 0.00 H new ATOM 238 N HIS A 13 4.334 9.713 9.712 1.00 0.00 N ATOM 239 CA HIS A 13 4.108 10.998 10.358 1.00 0.00 C ATOM 240 C HIS A 13 2.609 11.306 10.256 1.00 0.00 C ATOM 241 O HIS A 13 2.001 10.955 9.244 1.00 0.00 O ATOM 242 CB HIS A 13 4.958 12.079 9.687 1.00 0.00 C ATOM 243 CG HIS A 13 6.405 11.686 9.523 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.196 11.307 10.607 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.143 11.571 8.376 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.371 10.968 10.069 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.389 11.102 8.733 1.00 0.00 N ATOM 0 H HIS A 13 4.101 9.717 8.719 1.00 0.00 H new ATOM 0 HA HIS A 13 4.403 10.971 11.407 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.537 12.306 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.902 12.994 10.277 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.810 11.805 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.216 10.623 10.647 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.169 10.898 8.108 1.00 0.00 H new ATOM 255 N PRO A 14 1.988 11.919 11.279 1.00 0.00 N ATOM 256 CA PRO A 14 0.538 11.940 11.442 1.00 0.00 C ATOM 257 C PRO A 14 -0.119 13.093 10.672 1.00 0.00 C ATOM 258 O PRO A 14 -0.993 13.771 11.208 1.00 0.00 O ATOM 259 CB PRO A 14 0.340 12.066 12.958 1.00 0.00 C ATOM 260 CG PRO A 14 1.497 12.983 13.351 1.00 0.00 C ATOM 261 CD PRO A 14 2.632 12.472 12.462 1.00 0.00 C ATOM 0 HA PRO A 14 0.063 11.048 11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.628 12.499 13.209 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.396 11.100 13.459 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.269 14.031 13.158 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.741 12.900 14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.314 13.279 12.195 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.222 11.714 12.977 1.00 0.00 H new ATOM 269 N ALA A 15 0.284 13.291 9.409 1.00 0.00 N ATOM 270 CA ALA A 15 -0.244 14.290 8.482 1.00 0.00 C ATOM 271 C ALA A 15 0.077 15.735 8.889 1.00 0.00 C ATOM 272 O ALA A 15 0.036 16.097 10.063 1.00 0.00 O ATOM 273 CB ALA A 15 -1.744 14.083 8.244 1.00 0.00 C ATOM 0 H ALA A 15 1.024 12.728 8.990 1.00 0.00 H new ATOM 0 HA ALA A 15 0.275 14.134 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.110 14.840 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.912 13.092 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.278 14.169 9.190 1.00 0.00 H new ATOM 279 N GLU A 16 0.400 16.561 7.889 1.00 0.00 N ATOM 280 CA GLU A 16 0.785 17.959 8.037 1.00 0.00 C ATOM 281 C GLU A 16 0.740 18.602 6.650 1.00 0.00 C ATOM 282 O GLU A 16 1.574 18.291 5.803 1.00 0.00 O ATOM 283 CB GLU A 16 2.195 18.044 8.647 1.00 0.00 C ATOM 284 CG GLU A 16 2.611 19.481 8.987 1.00 0.00 C ATOM 285 CD GLU A 16 4.017 19.555 9.587 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.666 18.491 9.702 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.430 20.689 9.914 1.00 0.00 O ATOM 0 H GLU A 16 0.399 16.256 6.916 1.00 0.00 H new ATOM 0 HA GLU A 16 0.105 18.487 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.232 17.437 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.915 17.618 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.572 20.091 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.896 19.907 9.691 1.00 0.00 H new ATOM 294 N ASN A 17 -0.244 19.473 6.394 1.00 0.00 N ATOM 295 CA ASN A 17 -0.451 20.058 5.079 1.00 0.00 C ATOM 296 C ASN A 17 0.768 20.870 4.628 1.00 0.00 C ATOM 297 O ASN A 17 1.368 21.590 5.426 1.00 0.00 O ATOM 298 CB ASN A 17 -1.752 20.872 5.058 1.00 0.00 C ATOM 299 CG ASN A 17 -1.666 22.202 5.807 1.00 0.00 C ATOM 300 OD1 ASN A 17 -1.461 23.247 5.193 1.00 0.00 O ATOM 301 ND2 ASN A 17 -1.851 22.179 7.129 1.00 0.00 N ATOM 0 H ASN A 17 -0.914 19.787 7.096 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.561 19.255 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.029 21.067 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.551 20.272 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.825 23.048 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.019 21.293 7.605 1.00 0.00 H new ATOM 308 N GLY A 18 1.155 20.716 3.355 1.00 0.00 N ATOM 309 CA GLY A 18 2.308 21.388 2.768 1.00 0.00 C ATOM 310 C GLY A 18 3.623 20.678 3.099 1.00 0.00 C ATOM 311 O GLY A 18 4.402 20.363 2.201 1.00 0.00 O ATOM 0 H GLY A 18 0.664 20.110 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.186 21.436 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.351 22.415 3.130 1.00 0.00 H new ATOM 315 N LYS A 19 3.879 20.442 4.390 1.00 0.00 N ATOM 316 CA LYS A 19 5.102 19.826 4.880 1.00 0.00 C ATOM 317 C LYS A 19 4.979 18.313 4.743 1.00 0.00 C ATOM 318 O LYS A 19 4.340 17.628 5.540 1.00 0.00 O ATOM 319 CB LYS A 19 5.330 20.250 6.320 1.00 0.00 C ATOM 320 CG LYS A 19 6.682 19.896 6.960 1.00 0.00 C ATOM 321 CD LYS A 19 6.890 18.383 7.090 1.00 0.00 C ATOM 322 CE LYS A 19 8.006 18.005 8.061 1.00 0.00 C ATOM 323 NZ LYS A 19 8.121 16.538 8.145 1.00 0.00 N ATOM 0 H LYS A 19 3.223 20.682 5.134 1.00 0.00 H new ATOM 0 HA LYS A 19 5.964 20.150 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.205 21.331 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.543 19.806 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.487 20.320 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.745 20.355 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.959 17.923 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.118 17.969 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.951 18.434 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.798 18.419 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.123 16.273 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.597 16.196 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.724 16.109 7.285 1.00 0.00 H new ATOM 337 N SER A 20 5.623 17.835 3.690 1.00 0.00 N ATOM 338 CA SER A 20 5.589 16.451 3.229 1.00 0.00 C ATOM 339 C SER A 20 5.801 15.452 4.370 1.00 0.00 C ATOM 340 O SER A 20 6.715 15.592 5.184 1.00 0.00 O ATOM 341 CB SER A 20 6.641 16.221 2.143 1.00 0.00 C ATOM 342 OG SER A 20 7.920 16.657 2.555 1.00 0.00 O ATOM 0 H SER A 20 6.212 18.427 3.104 1.00 0.00 H new ATOM 0 HA SER A 20 4.594 16.280 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.681 15.161 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.350 16.751 1.236 1.00 0.00 H new ATOM 0 HG SER A 20 8.568 16.494 1.838 1.00 0.00 H new ATOM 348 N ASN A 21 4.933 14.442 4.402 1.00 0.00 N ATOM 349 CA ASN A 21 4.900 13.377 5.397 1.00 0.00 C ATOM 350 C ASN A 21 5.382 12.078 4.733 1.00 0.00 C ATOM 351 O ASN A 21 6.093 12.138 3.732 1.00 0.00 O ATOM 352 CB ASN A 21 3.469 13.272 5.944 1.00 0.00 C ATOM 353 CG ASN A 21 2.988 14.558 6.604 1.00 0.00 C ATOM 354 OD1 ASN A 21 2.159 15.269 6.042 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.484 14.844 7.809 1.00 0.00 N ATOM 0 H ASN A 21 4.200 14.341 3.700 1.00 0.00 H new ATOM 0 HA ASN A 21 5.561 13.581 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.793 13.013 5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.422 12.459 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.176 15.682 8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.171 14.224 8.238 1.00 0.00 H new ATOM 362 N PHE A 22 5.007 10.910 5.277 1.00 0.00 N ATOM 363 CA PHE A 22 5.364 9.601 4.739 1.00 0.00 C ATOM 364 C PHE A 22 4.209 8.618 4.931 1.00 0.00 C ATOM 365 O PHE A 22 3.820 8.326 6.062 1.00 0.00 O ATOM 366 CB PHE A 22 6.620 9.063 5.427 1.00 0.00 C ATOM 367 CG PHE A 22 7.904 9.306 4.668 1.00 0.00 C ATOM 368 CD1 PHE A 22 8.596 10.520 4.819 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.395 8.321 3.791 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.781 10.748 4.099 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.593 8.539 3.090 1.00 0.00 C ATOM 372 CZ PHE A 22 10.274 9.761 3.229 1.00 0.00 C ATOM 0 H PHE A 22 4.436 10.855 6.120 1.00 0.00 H new ATOM 0 HA PHE A 22 5.566 9.711 3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.703 9.521 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.502 7.991 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.217 11.278 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.851 7.398 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.312 11.681 4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.990 7.769 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.178 9.941 2.666 1.00 0.00 H new ATOM 382 N LEU A 23 3.679 8.117 3.810 1.00 0.00 N ATOM 383 CA LEU A 23 2.581 7.164 3.759 1.00 0.00 C ATOM 384 C LEU A 23 3.159 5.802 3.411 1.00 0.00 C ATOM 385 O LEU A 23 3.846 5.675 2.400 1.00 0.00 O ATOM 386 CB LEU A 23 1.555 7.620 2.720 1.00 0.00 C ATOM 387 CG LEU A 23 0.331 6.713 2.581 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.380 6.539 3.923 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.644 7.384 1.609 1.00 0.00 C ATOM 0 H LEU A 23 4.019 8.377 2.884 1.00 0.00 H new ATOM 0 HA LEU A 23 2.070 7.101 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.218 8.623 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.048 7.691 1.751 1.00 0.00 H new ATOM 0 HG LEU A 23 0.653 5.734 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.246 5.890 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.305 6.091 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.707 7.512 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.528 6.758 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.938 8.357 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.160 7.515 0.641 1.00 0.00 H new ATOM 401 N ASN A 24 2.910 4.812 4.274 1.00 0.00 N ATOM 402 CA ASN A 24 3.554 3.511 4.226 1.00 0.00 C ATOM 403 C ASN A 24 2.493 2.420 4.145 1.00 0.00 C ATOM 404 O ASN A 24 2.044 1.915 5.172 1.00 0.00 O ATOM 405 CB ASN A 24 4.432 3.330 5.467 1.00 0.00 C ATOM 406 CG ASN A 24 5.668 4.232 5.493 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.590 5.434 5.248 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.827 3.652 5.811 1.00 0.00 N ATOM 0 H ASN A 24 2.240 4.902 5.038 1.00 0.00 H new ATOM 0 HA ASN A 24 4.187 3.442 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.832 3.527 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.753 2.290 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.680 4.209 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.859 2.652 6.009 1.00 0.00 H new ATOM 415 N CYS A 25 2.117 2.036 2.921 1.00 0.00 N ATOM 416 CA CYS A 25 1.162 0.961 2.697 1.00 0.00 C ATOM 417 C CYS A 25 1.912 -0.356 2.736 1.00 0.00 C ATOM 418 O CYS A 25 2.446 -0.784 1.718 1.00 0.00 O ATOM 419 CB CYS A 25 0.389 1.141 1.386 1.00 0.00 C ATOM 420 SG CYS A 25 -0.710 2.579 1.424 1.00 0.00 S ATOM 0 H CYS A 25 2.468 2.464 2.064 1.00 0.00 H new ATOM 0 HA CYS A 25 0.409 0.976 3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.095 1.249 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.198 0.244 1.187 1.00 0.00 H new ATOM 425 N TYR A 26 1.959 -0.984 3.914 1.00 0.00 N ATOM 426 CA TYR A 26 2.549 -2.297 4.078 1.00 0.00 C ATOM 427 C TYR A 26 1.462 -3.335 3.822 1.00 0.00 C ATOM 428 O TYR A 26 0.367 -3.217 4.370 1.00 0.00 O ATOM 429 CB TYR A 26 3.118 -2.429 5.494 1.00 0.00 C ATOM 430 CG TYR A 26 3.816 -3.746 5.803 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.495 -4.467 4.802 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.769 -4.266 7.109 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.025 -5.735 5.081 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.303 -5.534 7.392 1.00 0.00 C ATOM 435 CZ TYR A 26 4.931 -6.274 6.374 1.00 0.00 C ATOM 436 OH TYR A 26 5.451 -7.508 6.634 1.00 0.00 O ATOM 0 H TYR A 26 1.586 -0.588 4.777 1.00 0.00 H new ATOM 0 HA TYR A 26 3.368 -2.449 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.825 -1.616 5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.305 -2.294 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.608 -4.042 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.319 -3.686 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.508 -6.300 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.231 -5.940 8.390 1.00 0.00 H new ATOM 0 HH TYR A 26 6.108 -7.738 5.944 1.00 0.00 H new ATOM 446 N VAL A 27 1.763 -4.340 2.992 1.00 0.00 N ATOM 447 CA VAL A 27 0.858 -5.442 2.702 1.00 0.00 C ATOM 448 C VAL A 27 1.678 -6.713 2.845 1.00 0.00 C ATOM 449 O VAL A 27 2.850 -6.712 2.468 1.00 0.00 O ATOM 450 CB VAL A 27 0.275 -5.330 1.282 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.985 -6.190 1.141 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.100 -3.892 0.937 1.00 0.00 C ATOM 0 H VAL A 27 2.654 -4.406 2.500 1.00 0.00 H new ATOM 0 HA VAL A 27 0.008 -5.435 3.385 1.00 0.00 H new ATOM 0 HB VAL A 27 1.052 -5.678 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.379 -6.095 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.737 -7.233 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.736 -5.855 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.508 -3.855 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.848 -3.531 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.787 -3.261 0.994 1.00 0.00 H new ATOM 462 N SER A 28 1.086 -7.784 3.386 1.00 0.00 N ATOM 463 CA SER A 28 1.821 -9.012 3.630 1.00 0.00 C ATOM 464 C SER A 28 0.938 -10.251 3.711 1.00 0.00 C ATOM 465 O SER A 28 -0.284 -10.154 3.802 1.00 0.00 O ATOM 466 CB SER A 28 2.674 -8.851 4.897 1.00 0.00 C ATOM 467 OG SER A 28 1.842 -8.640 6.021 1.00 0.00 O ATOM 0 H SER A 28 0.104 -7.817 3.659 1.00 0.00 H new ATOM 0 HA SER A 28 2.466 -9.179 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.284 -9.741 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.359 -8.011 4.779 1.00 0.00 H new ATOM 0 HG SER A 28 2.395 -8.540 6.824 1.00 0.00 H new ATOM 473 N GLY A 29 1.585 -11.424 3.674 1.00 0.00 N ATOM 474 CA GLY A 29 0.938 -12.723 3.769 1.00 0.00 C ATOM 475 C GLY A 29 0.578 -13.283 2.395 1.00 0.00 C ATOM 476 O GLY A 29 0.706 -14.485 2.175 1.00 0.00 O ATOM 0 H GLY A 29 2.598 -11.488 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.599 -13.421 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.035 -12.635 4.373 1.00 0.00 H new ATOM 480 N PHE A 30 0.111 -12.418 1.486 1.00 0.00 N ATOM 481 CA PHE A 30 -0.449 -12.815 0.201 1.00 0.00 C ATOM 482 C PHE A 30 0.583 -13.557 -0.649 1.00 0.00 C ATOM 483 O PHE A 30 1.731 -13.135 -0.736 1.00 0.00 O ATOM 484 CB PHE A 30 -1.016 -11.598 -0.541 1.00 0.00 C ATOM 485 CG PHE A 30 0.010 -10.542 -0.901 1.00 0.00 C ATOM 486 CD1 PHE A 30 0.334 -9.510 0.002 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.803 -10.734 -2.045 1.00 0.00 C ATOM 488 CE1 PHE A 30 1.511 -8.772 -0.185 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.996 -10.027 -2.211 1.00 0.00 C ATOM 490 CZ PHE A 30 2.364 -9.075 -1.254 1.00 0.00 C ATOM 0 H PHE A 30 0.115 -11.408 1.631 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.270 -13.506 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.501 -11.940 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.788 -11.140 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.320 -9.289 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.487 -11.435 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.760 -7.970 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.627 -10.213 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.314 -8.569 -1.340 1.00 0.00 H new ATOM 500 N HIS A 31 0.170 -14.659 -1.281 1.00 0.00 N ATOM 501 CA HIS A 31 1.006 -15.469 -2.160 1.00 0.00 C ATOM 502 C HIS A 31 0.048 -15.847 -3.295 1.00 0.00 C ATOM 503 O HIS A 31 -1.095 -16.199 -3.005 1.00 0.00 O ATOM 504 CB HIS A 31 1.541 -16.683 -1.376 1.00 0.00 C ATOM 505 CG HIS A 31 1.882 -17.949 -2.138 1.00 0.00 C ATOM 506 ND1 HIS A 31 3.056 -18.642 -1.836 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.219 -18.638 -3.122 1.00 0.00 C ATOM 508 CE1 HIS A 31 3.064 -19.697 -2.655 1.00 0.00 C ATOM 509 NE2 HIS A 31 1.980 -19.741 -3.443 1.00 0.00 N ATOM 0 H HIS A 31 -0.780 -15.019 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 31 1.894 -14.969 -2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.438 -16.365 -0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.799 -16.942 -0.620 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.272 -18.365 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.855 -20.432 -2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.762 -20.451 -4.142 1.00 0.00 H new ATOM 517 N PRO A 32 0.457 -15.781 -4.574 1.00 0.00 N ATOM 518 CA PRO A 32 1.825 -15.634 -5.047 1.00 0.00 C ATOM 519 C PRO A 32 2.250 -14.155 -5.074 1.00 0.00 C ATOM 520 O PRO A 32 1.655 -13.316 -4.403 1.00 0.00 O ATOM 521 CB PRO A 32 1.805 -16.281 -6.438 1.00 0.00 C ATOM 522 CG PRO A 32 0.424 -15.882 -6.942 1.00 0.00 C ATOM 523 CD PRO A 32 -0.431 -16.056 -5.689 1.00 0.00 C ATOM 0 HA PRO A 32 2.560 -16.109 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.601 -15.900 -7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.926 -17.363 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.404 -14.856 -7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.087 -16.521 -7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.279 -15.371 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.837 -17.066 -5.628 1.00 0.00 H new ATOM 531 N SER A 33 3.309 -13.839 -5.825 1.00 0.00 N ATOM 532 CA SER A 33 4.026 -12.578 -5.730 1.00 0.00 C ATOM 533 C SER A 33 3.375 -11.416 -6.493 1.00 0.00 C ATOM 534 O SER A 33 3.698 -10.262 -6.216 1.00 0.00 O ATOM 535 CB SER A 33 5.455 -12.823 -6.221 1.00 0.00 C ATOM 536 OG SER A 33 5.456 -13.128 -7.600 1.00 0.00 O ATOM 0 H SER A 33 3.694 -14.470 -6.528 1.00 0.00 H new ATOM 0 HA SER A 33 4.007 -12.259 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.066 -11.939 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.903 -13.643 -5.660 1.00 0.00 H new ATOM 0 HG SER A 33 6.376 -13.281 -7.901 1.00 0.00 H new ATOM 542 N ASP A 34 2.501 -11.703 -7.465 1.00 0.00 N ATOM 543 CA ASP A 34 2.007 -10.715 -8.418 1.00 0.00 C ATOM 544 C ASP A 34 0.907 -9.837 -7.805 1.00 0.00 C ATOM 545 O ASP A 34 -0.255 -10.236 -7.776 1.00 0.00 O ATOM 546 CB ASP A 34 1.528 -11.448 -9.680 1.00 0.00 C ATOM 547 CG ASP A 34 0.930 -10.500 -10.718 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.484 -9.390 -10.870 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.068 -10.909 -11.350 1.00 0.00 O ATOM 0 H ASP A 34 2.117 -12.637 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 34 2.814 -10.034 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.366 -11.985 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.783 -12.193 -9.402 1.00 0.00 H new ATOM 554 N ILE A 35 1.283 -8.644 -7.320 1.00 0.00 N ATOM 555 CA ILE A 35 0.369 -7.668 -6.724 1.00 0.00 C ATOM 556 C ILE A 35 0.652 -6.244 -7.202 1.00 0.00 C ATOM 557 O ILE A 35 1.780 -5.918 -7.573 1.00 0.00 O ATOM 558 CB ILE A 35 0.417 -7.771 -5.189 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.579 -6.860 -4.457 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.809 -7.516 -4.642 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.777 -7.328 -3.014 1.00 0.00 C ATOM 0 H ILE A 35 2.253 -8.328 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.641 -7.906 -7.057 1.00 0.00 H new ATOM 0 HB ILE A 35 0.121 -8.801 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.214 -5.833 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.535 -6.863 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.794 -7.599 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.502 -8.251 -5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.133 -6.514 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.486 -6.670 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.164 -8.347 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.178 -7.301 -2.489 1.00 0.00 H new ATOM 573 N GLU A 36 -0.389 -5.404 -7.162 1.00 0.00 N ATOM 574 CA GLU A 36 -0.369 -4.001 -7.550 1.00 0.00 C ATOM 575 C GLU A 36 -0.762 -3.119 -6.367 1.00 0.00 C ATOM 576 O GLU A 36 -1.827 -3.334 -5.785 1.00 0.00 O ATOM 577 CB GLU A 36 -1.371 -3.745 -8.673 1.00 0.00 C ATOM 578 CG GLU A 36 -1.363 -4.839 -9.738 1.00 0.00 C ATOM 579 CD GLU A 36 -2.198 -4.428 -10.949 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.197 -3.703 -10.737 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.822 -4.839 -12.067 1.00 0.00 O ATOM 0 H GLU A 36 -1.309 -5.705 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 36 0.641 -3.763 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.372 -3.665 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.146 -2.787 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.338 -5.041 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.756 -5.764 -9.317 1.00 0.00 H new ATOM 588 N VAL A 37 0.065 -2.113 -6.046 1.00 0.00 N ATOM 589 CA VAL A 37 -0.225 -1.117 -5.019 1.00 0.00 C ATOM 590 C VAL A 37 0.246 0.254 -5.506 1.00 0.00 C ATOM 591 O VAL A 37 1.204 0.824 -4.985 1.00 0.00 O ATOM 592 CB VAL A 37 0.369 -1.541 -3.658 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.028 -0.607 -2.486 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.142 -2.935 -3.278 1.00 0.00 C ATOM 0 H VAL A 37 0.966 -1.972 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.299 -1.044 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 37 1.448 -1.510 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.488 -0.986 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.407 0.393 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.054 -0.565 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.281 -3.228 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.229 -2.917 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.159 -3.653 -4.041 1.00 0.00 H new ATOM 604 N ASP A 38 -0.460 0.784 -6.510 1.00 0.00 N ATOM 605 CA ASP A 38 -0.280 2.144 -6.990 1.00 0.00 C ATOM 606 C ASP A 38 -0.959 3.089 -6.003 1.00 0.00 C ATOM 607 O ASP A 38 -2.116 2.872 -5.637 1.00 0.00 O ATOM 608 CB ASP A 38 -0.875 2.304 -8.396 1.00 0.00 C ATOM 609 CG ASP A 38 -0.308 1.266 -9.361 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.831 0.131 -9.350 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.641 1.625 -10.092 1.00 0.00 O ATOM 0 H ASP A 38 -1.181 0.267 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 38 0.782 2.380 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.959 2.204 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.663 3.305 -8.771 1.00 0.00 H new ATOM 616 N LEU A 39 -0.241 4.130 -5.571 1.00 0.00 N ATOM 617 CA LEU A 39 -0.786 5.138 -4.678 1.00 0.00 C ATOM 618 C LEU A 39 -1.601 6.142 -5.488 1.00 0.00 C ATOM 619 O LEU A 39 -1.187 6.572 -6.564 1.00 0.00 O ATOM 620 CB LEU A 39 0.333 5.776 -3.850 1.00 0.00 C ATOM 621 CG LEU A 39 0.679 4.879 -2.646 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.130 4.407 -2.660 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.366 5.624 -1.344 1.00 0.00 C ATOM 0 H LEU A 39 0.731 4.291 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.467 4.685 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.217 5.922 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.022 6.761 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 39 0.063 3.983 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.317 3.779 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.317 3.833 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.794 5.271 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.611 4.988 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.958 6.538 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.694 5.876 -1.315 1.00 0.00 H new ATOM 635 N LEU A 40 -2.799 6.446 -4.982 1.00 0.00 N ATOM 636 CA LEU A 40 -3.901 6.986 -5.755 1.00 0.00 C ATOM 637 C LEU A 40 -4.620 8.007 -4.876 1.00 0.00 C ATOM 638 O LEU A 40 -5.185 7.621 -3.857 1.00 0.00 O ATOM 639 CB LEU A 40 -4.813 5.808 -6.141 1.00 0.00 C ATOM 640 CG LEU A 40 -5.668 6.022 -7.396 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.517 7.297 -7.331 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.788 5.987 -8.651 1.00 0.00 C ATOM 0 H LEU A 40 -3.027 6.317 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.578 7.486 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.193 4.924 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.476 5.594 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.379 5.198 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.100 7.393 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.191 7.242 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.865 8.163 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.408 6.140 -9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.039 6.776 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.291 5.019 -8.720 1.00 0.00 H new ATOM 654 N LYS A 41 -4.567 9.302 -5.218 1.00 0.00 N ATOM 655 CA LYS A 41 -5.119 10.334 -4.353 1.00 0.00 C ATOM 656 C LYS A 41 -6.599 10.561 -4.671 1.00 0.00 C ATOM 657 O LYS A 41 -7.390 9.619 -4.664 1.00 0.00 O ATOM 658 CB LYS A 41 -4.255 11.604 -4.380 1.00 0.00 C ATOM 659 CG LYS A 41 -2.761 11.329 -4.227 1.00 0.00 C ATOM 660 CD LYS A 41 -2.012 11.809 -5.474 1.00 0.00 C ATOM 661 CE LYS A 41 -2.280 11.016 -6.746 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.895 9.602 -6.607 1.00 0.00 N ATOM 0 H LYS A 41 -4.150 9.650 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.087 9.998 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.425 12.129 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.577 12.270 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.377 11.838 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.592 10.262 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.274 12.852 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.942 11.780 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.339 11.080 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.729 11.462 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.448 9.025 -7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.882 9.496 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.083 9.285 -5.635 1.00 0.00 H new ATOM 676 N ASN A 42 -6.960 11.808 -4.981 1.00 0.00 N ATOM 677 CA ASN A 42 -8.272 12.197 -5.474 1.00 0.00 C ATOM 678 C ASN A 42 -8.644 11.469 -6.774 1.00 0.00 C ATOM 679 O ASN A 42 -9.825 11.235 -7.021 1.00 0.00 O ATOM 680 CB ASN A 42 -8.319 13.722 -5.655 1.00 0.00 C ATOM 681 CG ASN A 42 -7.436 14.207 -6.811 1.00 0.00 C ATOM 682 OD1 ASN A 42 -7.880 14.240 -7.956 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.186 14.581 -6.527 1.00 0.00 N ATOM 0 H ASN A 42 -6.321 12.598 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.016 11.900 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.349 14.031 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.998 14.204 -4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.569 14.906 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.848 14.542 -5.565 1.00 0.00 H new ATOM 690 N GLY A 43 -7.653 11.121 -7.605 1.00 0.00 N ATOM 691 CA GLY A 43 -7.889 10.502 -8.902 1.00 0.00 C ATOM 692 C GLY A 43 -6.585 10.202 -9.642 1.00 0.00 C ATOM 693 O GLY A 43 -6.501 9.213 -10.368 1.00 0.00 O ATOM 0 H GLY A 43 -6.666 11.264 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.449 9.577 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.507 11.162 -9.511 1.00 0.00 H new ATOM 697 N GLU A 44 -5.571 11.056 -9.460 1.00 0.00 N ATOM 698 CA GLU A 44 -4.275 10.965 -10.107 1.00 0.00 C ATOM 699 C GLU A 44 -3.481 9.792 -9.520 1.00 0.00 C ATOM 700 O GLU A 44 -3.890 9.216 -8.515 1.00 0.00 O ATOM 701 CB GLU A 44 -3.565 12.304 -9.875 1.00 0.00 C ATOM 702 CG GLU A 44 -4.301 13.479 -10.534 1.00 0.00 C ATOM 703 CD GLU A 44 -3.842 14.808 -9.943 1.00 0.00 C ATOM 704 OE1 GLU A 44 -4.347 15.141 -8.847 1.00 0.00 O ATOM 705 OE2 GLU A 44 -2.991 15.457 -10.590 1.00 0.00 O ATOM 0 H GLU A 44 -5.643 11.857 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.371 10.778 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.481 12.487 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.550 12.247 -10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.118 13.472 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.376 13.365 -10.393 1.00 0.00 H new ATOM 712 N ARG A 45 -2.341 9.445 -10.131 1.00 0.00 N ATOM 713 CA ARG A 45 -1.495 8.320 -9.740 1.00 0.00 C ATOM 714 C ARG A 45 -0.086 8.815 -9.397 1.00 0.00 C ATOM 715 O ARG A 45 0.498 9.584 -10.157 1.00 0.00 O ATOM 716 CB ARG A 45 -1.469 7.308 -10.892 1.00 0.00 C ATOM 717 CG ARG A 45 -0.508 6.147 -10.617 1.00 0.00 C ATOM 718 CD ARG A 45 -0.722 5.036 -11.649 1.00 0.00 C ATOM 719 NE ARG A 45 0.305 3.996 -11.519 1.00 0.00 N ATOM 720 CZ ARG A 45 1.533 4.028 -12.062 1.00 0.00 C ATOM 721 NH1 ARG A 45 1.894 5.014 -12.894 1.00 0.00 N ATOM 722 NH2 ARG A 45 2.401 3.057 -11.755 1.00 0.00 N ATOM 0 H ARG A 45 -1.975 9.957 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.895 7.835 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.473 6.916 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.173 7.813 -11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.523 6.499 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.672 5.758 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.710 4.596 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.694 5.457 -12.654 1.00 0.00 H new ATOM 0 HE ARG A 45 0.064 3.174 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.232 5.755 -13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.831 5.023 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.126 2.309 -11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.338 3.065 -12.158 1.00 0.00 H new ATOM 736 N ILE A 46 0.462 8.356 -8.264 1.00 0.00 N ATOM 737 CA ILE A 46 1.821 8.596 -7.839 1.00 0.00 C ATOM 738 C ILE A 46 2.693 7.529 -8.491 1.00 0.00 C ATOM 739 O ILE A 46 2.413 6.337 -8.361 1.00 0.00 O ATOM 740 CB ILE A 46 1.852 8.510 -6.307 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.353 9.818 -5.674 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.266 8.252 -5.811 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.566 9.544 -4.388 1.00 0.00 C ATOM 0 H ILE A 46 -0.063 7.785 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 46 2.192 9.578 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 46 1.199 7.687 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.202 10.466 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.721 10.351 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.265 8.195 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.630 7.311 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.918 9.065 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.225 10.488 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.296 8.916 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.208 9.033 -3.671 1.00 0.00 H new ATOM 755 N GLU A 47 3.758 7.971 -9.164 1.00 0.00 N ATOM 756 CA GLU A 47 4.783 7.092 -9.706 1.00 0.00 C ATOM 757 C GLU A 47 5.967 6.930 -8.748 1.00 0.00 C ATOM 758 O GLU A 47 6.643 5.904 -8.810 1.00 0.00 O ATOM 759 CB GLU A 47 5.224 7.561 -11.093 1.00 0.00 C ATOM 760 CG GLU A 47 4.011 7.605 -12.029 1.00 0.00 C ATOM 761 CD GLU A 47 4.403 7.276 -13.465 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.812 8.216 -14.178 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.291 6.080 -13.817 1.00 0.00 O ATOM 0 H GLU A 47 3.930 8.960 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 47 4.344 6.101 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.681 8.548 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.981 6.886 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.258 6.896 -11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.557 8.595 -11.992 1.00 0.00 H new ATOM 770 N LYS A 48 6.215 7.899 -7.850 1.00 0.00 N ATOM 771 CA LYS A 48 7.271 7.792 -6.848 1.00 0.00 C ATOM 772 C LYS A 48 6.791 6.935 -5.673 1.00 0.00 C ATOM 773 O LYS A 48 6.635 7.421 -4.552 1.00 0.00 O ATOM 774 CB LYS A 48 7.759 9.185 -6.413 1.00 0.00 C ATOM 775 CG LYS A 48 9.060 9.082 -5.599 1.00 0.00 C ATOM 776 CD LYS A 48 9.594 10.464 -5.204 1.00 0.00 C ATOM 777 CE LYS A 48 10.998 10.364 -4.590 1.00 0.00 C ATOM 778 NZ LYS A 48 11.014 9.630 -3.311 1.00 0.00 N ATOM 0 H LYS A 48 5.688 8.771 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 48 8.134 7.289 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.924 9.808 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.989 9.674 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.881 8.491 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.814 8.554 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.624 11.109 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.914 10.928 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.663 9.868 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.392 11.368 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.998 9.491 -3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.500 10.176 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.556 8.705 -3.436 1.00 0.00 H new ATOM 792 N VAL A 49 6.582 5.642 -5.943 1.00 0.00 N ATOM 793 CA VAL A 49 6.362 4.619 -4.937 1.00 0.00 C ATOM 794 C VAL A 49 7.698 3.904 -4.774 1.00 0.00 C ATOM 795 O VAL A 49 8.093 3.127 -5.642 1.00 0.00 O ATOM 796 CB VAL A 49 5.251 3.649 -5.380 1.00 0.00 C ATOM 797 CG1 VAL A 49 4.965 2.629 -4.268 1.00 0.00 C ATOM 798 CG2 VAL A 49 3.970 4.414 -5.731 1.00 0.00 C ATOM 0 H VAL A 49 6.562 5.277 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 49 6.030 5.046 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 49 5.593 3.120 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.178 1.948 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.870 2.061 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.644 3.153 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.199 3.709 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.626 4.967 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.173 5.110 -6.544 1.00 0.00 H new ATOM 808 N GLU A 50 8.399 4.185 -3.673 1.00 0.00 N ATOM 809 CA GLU A 50 9.634 3.506 -3.330 1.00 0.00 C ATOM 810 C GLU A 50 9.233 2.270 -2.528 1.00 0.00 C ATOM 811 O GLU A 50 8.172 2.267 -1.903 1.00 0.00 O ATOM 812 CB GLU A 50 10.529 4.467 -2.542 1.00 0.00 C ATOM 813 CG GLU A 50 12.003 4.068 -2.557 1.00 0.00 C ATOM 814 CD GLU A 50 12.818 5.042 -1.712 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.934 6.210 -2.144 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.290 4.608 -0.639 1.00 0.00 O ATOM 0 H GLU A 50 8.118 4.895 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 50 10.209 3.195 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.427 5.470 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.182 4.512 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.118 3.055 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.376 4.063 -3.581 1.00 0.00 H new ATOM 823 N HIS A 51 10.043 1.211 -2.568 1.00 0.00 N ATOM 824 CA HIS A 51 9.691 -0.043 -1.924 1.00 0.00 C ATOM 825 C HIS A 51 10.857 -0.615 -1.131 1.00 0.00 C ATOM 826 O HIS A 51 12.011 -0.239 -1.335 1.00 0.00 O ATOM 827 CB HIS A 51 9.153 -1.035 -2.966 1.00 0.00 C ATOM 828 CG HIS A 51 10.082 -1.280 -4.132 1.00 0.00 C ATOM 829 ND1 HIS A 51 9.677 -1.028 -5.442 1.00 0.00 N ATOM 830 CD2 HIS A 51 11.378 -1.727 -4.151 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.738 -1.333 -6.195 1.00 0.00 C ATOM 832 NE2 HIS A 51 11.782 -1.762 -5.468 1.00 0.00 N ATOM 0 H HIS A 51 10.946 1.203 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 51 8.898 0.148 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.949 -1.986 -2.473 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.202 -0.663 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.973 -2.001 -3.292 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.754 -1.244 -7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.693 -2.055 -5.820 1.00 0.00 H new ATOM 840 N SER A 52 10.526 -1.540 -0.226 1.00 0.00 N ATOM 841 CA SER A 52 11.495 -2.365 0.481 1.00 0.00 C ATOM 842 C SER A 52 11.884 -3.613 -0.325 1.00 0.00 C ATOM 843 O SER A 52 12.753 -4.362 0.116 1.00 0.00 O ATOM 844 CB SER A 52 10.934 -2.750 1.852 1.00 0.00 C ATOM 845 OG SER A 52 9.788 -3.561 1.708 1.00 0.00 O ATOM 0 H SER A 52 9.560 -1.736 0.037 1.00 0.00 H new ATOM 0 HA SER A 52 12.407 -1.783 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.693 -3.282 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.682 -1.851 2.414 1.00 0.00 H new ATOM 0 HG SER A 52 9.537 -3.930 2.580 1.00 0.00 H new ATOM 851 N ASP A 53 11.234 -3.841 -1.479 1.00 0.00 N ATOM 852 CA ASP A 53 11.382 -5.007 -2.344 1.00 0.00 C ATOM 853 C ASP A 53 10.795 -6.257 -1.678 1.00 0.00 C ATOM 854 O ASP A 53 10.436 -6.230 -0.499 1.00 0.00 O ATOM 855 CB ASP A 53 12.845 -5.177 -2.800 1.00 0.00 C ATOM 856 CG ASP A 53 13.020 -6.168 -3.950 1.00 0.00 C ATOM 857 OD1 ASP A 53 12.058 -6.330 -4.733 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.121 -6.755 -4.025 1.00 0.00 O ATOM 0 H ASP A 53 10.555 -3.175 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 53 10.804 -4.849 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.236 -4.207 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.444 -5.509 -1.952 1.00 0.00 H new ATOM 863 N LEU A 54 10.654 -7.349 -2.439 1.00 0.00 N ATOM 864 CA LEU A 54 10.035 -8.565 -1.937 1.00 0.00 C ATOM 865 C LEU A 54 10.928 -9.198 -0.868 1.00 0.00 C ATOM 866 O LEU A 54 12.060 -9.590 -1.146 1.00 0.00 O ATOM 867 CB LEU A 54 9.693 -9.531 -3.086 1.00 0.00 C ATOM 868 CG LEU A 54 8.597 -10.563 -2.746 1.00 0.00 C ATOM 869 CD1 LEU A 54 8.867 -11.358 -1.468 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.193 -9.942 -2.700 1.00 0.00 C ATOM 0 H LEU A 54 10.965 -7.407 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 54 9.085 -8.318 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.372 -8.949 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.598 -10.063 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 54 8.632 -11.272 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.052 -12.062 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.804 -11.906 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.938 -10.674 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.462 -10.713 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.165 -9.162 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.954 -9.510 -3.672 1.00 0.00 H new ATOM 882 N SER A 55 10.386 -9.307 0.350 1.00 0.00 N ATOM 883 CA SER A 55 10.971 -10.026 1.465 1.00 0.00 C ATOM 884 C SER A 55 9.903 -10.969 2.009 1.00 0.00 C ATOM 885 O SER A 55 8.991 -10.531 2.702 1.00 0.00 O ATOM 886 CB SER A 55 11.437 -9.026 2.529 1.00 0.00 C ATOM 887 OG SER A 55 12.027 -9.711 3.615 1.00 0.00 O ATOM 0 H SER A 55 9.492 -8.876 0.586 1.00 0.00 H new ATOM 0 HA SER A 55 11.843 -10.604 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.155 -8.330 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.591 -8.435 2.879 1.00 0.00 H new ATOM 0 HG SER A 55 12.323 -9.063 4.288 1.00 0.00 H new ATOM 893 N PHE A 56 10.006 -12.263 1.696 1.00 0.00 N ATOM 894 CA PHE A 56 9.047 -13.268 2.138 1.00 0.00 C ATOM 895 C PHE A 56 9.452 -13.892 3.482 1.00 0.00 C ATOM 896 O PHE A 56 9.090 -15.034 3.754 1.00 0.00 O ATOM 897 CB PHE A 56 8.834 -14.286 1.005 1.00 0.00 C ATOM 898 CG PHE A 56 10.024 -15.122 0.589 1.00 0.00 C ATOM 899 CD1 PHE A 56 10.938 -14.625 -0.358 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.089 -16.472 0.978 1.00 0.00 C ATOM 901 CE1 PHE A 56 11.978 -15.443 -0.831 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.120 -17.296 0.494 1.00 0.00 C ATOM 903 CZ PHE A 56 12.076 -16.776 -0.396 1.00 0.00 C ATOM 0 H PHE A 56 10.762 -12.641 1.126 1.00 0.00 H new ATOM 0 HA PHE A 56 8.083 -12.802 2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.035 -14.963 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.479 -13.745 0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.840 -13.613 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.346 -16.876 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.702 -15.048 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.178 -18.328 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.885 -17.400 -0.745 1.00 0.00 H new ATOM 913 N SER A 57 10.184 -13.131 4.317 1.00 0.00 N ATOM 914 CA SER A 57 10.697 -13.495 5.641 1.00 0.00 C ATOM 915 C SER A 57 11.125 -14.967 5.743 1.00 0.00 C ATOM 916 O SER A 57 10.838 -15.616 6.744 1.00 0.00 O ATOM 917 CB SER A 57 9.665 -13.127 6.715 1.00 0.00 C ATOM 918 OG SER A 57 8.443 -13.804 6.510 1.00 0.00 O ATOM 0 H SER A 57 10.448 -12.180 4.061 1.00 0.00 H new ATOM 0 HA SER A 57 11.608 -12.920 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.059 -13.375 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.493 -12.051 6.702 1.00 0.00 H new ATOM 0 HG SER A 57 8.382 -14.563 7.127 1.00 0.00 H new ATOM 924 N LYS A 58 11.775 -15.491 4.695 1.00 0.00 N ATOM 925 CA LYS A 58 11.854 -16.901 4.295 1.00 0.00 C ATOM 926 C LYS A 58 10.882 -17.877 5.000 1.00 0.00 C ATOM 927 O LYS A 58 11.273 -18.988 5.355 1.00 0.00 O ATOM 928 CB LYS A 58 13.309 -17.399 4.262 1.00 0.00 C ATOM 929 CG LYS A 58 14.193 -16.562 3.324 1.00 0.00 C ATOM 930 CD LYS A 58 15.648 -17.051 3.288 1.00 0.00 C ATOM 931 CE LYS A 58 15.806 -18.394 2.565 1.00 0.00 C ATOM 932 NZ LYS A 58 17.226 -18.743 2.383 1.00 0.00 N ATOM 0 H LYS A 58 12.299 -14.893 4.056 1.00 0.00 H new ATOM 0 HA LYS A 58 11.473 -16.910 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.723 -17.369 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.327 -18.440 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.778 -16.594 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.172 -15.521 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.266 -16.302 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.020 -17.147 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.308 -19.177 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.314 -18.346 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.299 -19.656 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.695 -18.007 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.688 -18.812 3.312 1.00 0.00 H new ATOM 946 N ASP A 59 9.603 -17.488 5.125 1.00 0.00 N ATOM 947 CA ASP A 59 8.499 -18.294 5.640 1.00 0.00 C ATOM 948 C ASP A 59 7.563 -18.673 4.484 1.00 0.00 C ATOM 949 O ASP A 59 7.914 -18.513 3.315 1.00 0.00 O ATOM 950 CB ASP A 59 7.723 -17.457 6.678 1.00 0.00 C ATOM 951 CG ASP A 59 8.537 -17.091 7.914 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.228 -17.992 8.438 1.00 0.00 O ATOM 953 OD2 ASP A 59 8.424 -15.918 8.331 1.00 0.00 O ATOM 0 H ASP A 59 9.302 -16.552 4.853 1.00 0.00 H new ATOM 0 HA ASP A 59 8.882 -19.203 6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.373 -16.541 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.839 -18.013 6.990 1.00 0.00 H new ATOM 958 N TRP A 60 6.333 -19.088 4.820 1.00 0.00 N ATOM 959 CA TRP A 60 5.182 -19.051 3.926 1.00 0.00 C ATOM 960 C TRP A 60 4.345 -17.786 4.182 1.00 0.00 C ATOM 961 O TRP A 60 3.125 -17.803 4.032 1.00 0.00 O ATOM 962 CB TRP A 60 4.359 -20.329 4.104 1.00 0.00 C ATOM 963 CG TRP A 60 5.048 -21.589 3.687 1.00 0.00 C ATOM 964 CD1 TRP A 60 5.824 -22.356 4.482 1.00 0.00 C ATOM 965 CD2 TRP A 60 5.049 -22.239 2.381 1.00 0.00 C ATOM 966 NE1 TRP A 60 6.284 -23.449 3.777 1.00 0.00 N ATOM 967 CE2 TRP A 60 5.835 -23.425 2.471 1.00 0.00 C ATOM 968 CE3 TRP A 60 4.471 -21.945 1.126 1.00 0.00 C ATOM 969 CZ2 TRP A 60 6.027 -24.282 1.376 1.00 0.00 C ATOM 970 CZ3 TRP A 60 4.647 -22.804 0.026 1.00 0.00 C ATOM 971 CH2 TRP A 60 5.427 -23.967 0.147 1.00 0.00 C ATOM 0 H TRP A 60 6.113 -19.465 5.742 1.00 0.00 H new ATOM 0 HA TRP A 60 5.520 -19.007 2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.076 -20.418 5.153 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.436 -20.231 3.532 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.051 -22.145 5.517 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.878 -24.180 4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.884 -21.046 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.629 -25.173 1.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.179 -22.568 -0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.564 -24.617 -0.704 1.00 0.00 H new ATOM 982 N SER A 61 5.018 -16.680 4.525 1.00 0.00 N ATOM 983 CA SER A 61 4.515 -15.317 4.408 1.00 0.00 C ATOM 984 C SER A 61 5.321 -14.672 3.280 1.00 0.00 C ATOM 985 O SER A 61 6.392 -15.171 2.951 1.00 0.00 O ATOM 986 CB SER A 61 4.696 -14.574 5.737 1.00 0.00 C ATOM 987 OG SER A 61 4.038 -13.326 5.689 1.00 0.00 O ATOM 0 H SER A 61 5.964 -16.718 4.906 1.00 0.00 H new ATOM 0 HA SER A 61 3.449 -15.286 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.296 -15.173 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.757 -14.427 5.939 1.00 0.00 H new ATOM 0 HG SER A 61 4.158 -12.860 6.543 1.00 0.00 H new ATOM 993 N PHE A 62 4.792 -13.630 2.632 1.00 0.00 N ATOM 994 CA PHE A 62 5.278 -13.189 1.334 1.00 0.00 C ATOM 995 C PHE A 62 4.795 -11.754 1.129 1.00 0.00 C ATOM 996 O PHE A 62 3.583 -11.535 1.092 1.00 0.00 O ATOM 997 CB PHE A 62 4.771 -14.169 0.269 1.00 0.00 C ATOM 998 CG PHE A 62 5.560 -14.159 -1.019 1.00 0.00 C ATOM 999 CD1 PHE A 62 5.425 -13.110 -1.945 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.512 -15.170 -1.247 1.00 0.00 C ATOM 1001 CE1 PHE A 62 6.259 -13.074 -3.072 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.348 -15.126 -2.369 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.224 -14.073 -3.286 1.00 0.00 C ATOM 0 H PHE A 62 4.018 -13.074 2.996 1.00 0.00 H new ATOM 0 HA PHE A 62 6.366 -13.186 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.789 -15.177 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.730 -13.935 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.685 -12.338 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.599 -15.989 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.158 -12.268 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.085 -15.900 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.867 -14.030 -4.153 1.00 0.00 H new ATOM 1013 N TYR A 63 5.710 -10.770 1.102 1.00 0.00 N ATOM 1014 CA TYR A 63 5.286 -9.385 1.269 1.00 0.00 C ATOM 1015 C TYR A 63 6.307 -8.395 0.717 1.00 0.00 C ATOM 1016 O TYR A 63 7.413 -8.770 0.334 1.00 0.00 O ATOM 1017 CB TYR A 63 5.127 -9.081 2.755 1.00 0.00 C ATOM 1018 CG TYR A 63 6.311 -9.357 3.639 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.269 -8.341 3.795 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.323 -10.476 4.486 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.236 -8.433 4.802 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.290 -10.568 5.498 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.232 -9.536 5.672 1.00 0.00 C ATOM 1024 OH TYR A 63 9.138 -9.594 6.690 1.00 0.00 O ATOM 0 H TYR A 63 6.712 -10.907 0.970 1.00 0.00 H new ATOM 0 HA TYR A 63 4.349 -9.274 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.865 -8.028 2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.282 -9.659 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.259 -7.486 3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.592 -11.261 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.982 -7.660 4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.312 -11.432 6.145 1.00 0.00 H new ATOM 0 HH TYR A 63 8.753 -10.090 7.442 1.00 0.00 H new ATOM 1034 N LEU A 64 5.936 -7.111 0.768 1.00 0.00 N ATOM 1035 CA LEU A 64 6.769 -5.973 0.408 1.00 0.00 C ATOM 1036 C LEU A 64 6.109 -4.734 1.009 1.00 0.00 C ATOM 1037 O LEU A 64 4.895 -4.717 1.211 1.00 0.00 O ATOM 1038 CB LEU A 64 7.005 -5.865 -1.118 1.00 0.00 C ATOM 1039 CG LEU A 64 5.776 -5.584 -2.004 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.094 -5.683 -3.503 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.667 -6.606 -1.787 1.00 0.00 C ATOM 0 H LEU A 64 5.005 -6.831 1.076 1.00 0.00 H new ATOM 0 HA LEU A 64 7.774 -6.090 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.734 -5.074 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.459 -6.797 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 64 5.472 -4.577 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.193 -5.476 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.865 -4.957 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.450 -6.687 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.821 -6.368 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.038 -7.602 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.347 -6.580 -0.745 1.00 0.00 H new ATOM 1053 N LEU A 65 6.911 -3.722 1.341 1.00 0.00 N ATOM 1054 CA LEU A 65 6.462 -2.456 1.890 1.00 0.00 C ATOM 1055 C LEU A 65 6.585 -1.425 0.772 1.00 0.00 C ATOM 1056 O LEU A 65 7.588 -1.437 0.061 1.00 0.00 O ATOM 1057 CB LEU A 65 7.353 -2.125 3.092 1.00 0.00 C ATOM 1058 CG LEU A 65 6.631 -1.330 4.179 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.644 -0.999 5.273 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.004 -0.052 3.624 1.00 0.00 C ATOM 0 H LEU A 65 7.924 -3.769 1.229 1.00 0.00 H new ATOM 0 HA LEU A 65 5.429 -2.477 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.732 -3.053 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.217 -1.556 2.749 1.00 0.00 H new ATOM 0 HG LEU A 65 5.815 -1.930 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.154 -0.430 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.047 -1.923 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.456 -0.407 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.500 0.485 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.783 0.580 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.281 -0.308 2.850 1.00 0.00 H new ATOM 1072 N TYR A 66 5.561 -0.581 0.585 1.00 0.00 N ATOM 1073 CA TYR A 66 5.425 0.281 -0.574 1.00 0.00 C ATOM 1074 C TYR A 66 5.089 1.697 -0.089 1.00 0.00 C ATOM 1075 O TYR A 66 3.925 1.998 0.185 1.00 0.00 O ATOM 1076 CB TYR A 66 4.314 -0.252 -1.513 1.00 0.00 C ATOM 1077 CG TYR A 66 4.127 -1.757 -1.707 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.637 -2.543 -0.642 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.022 -2.270 -3.017 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.959 -3.744 -0.882 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.317 -3.464 -3.260 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.718 -4.157 -2.197 1.00 0.00 C ATOM 1083 OH TYR A 66 1.908 -5.227 -2.432 1.00 0.00 O ATOM 0 H TYR A 66 4.796 -0.484 1.253 1.00 0.00 H new ATOM 0 HA TYR A 66 6.358 0.298 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.366 0.147 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.488 0.182 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.788 -2.212 0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.485 -1.744 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.623 -4.350 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.237 -3.847 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 66 1.235 -5.290 -1.722 1.00 0.00 H new ATOM 1093 N TYR A 67 6.106 2.556 0.057 1.00 0.00 N ATOM 1094 CA TYR A 67 5.953 3.874 0.663 1.00 0.00 C ATOM 1095 C TYR A 67 6.190 5.008 -0.327 1.00 0.00 C ATOM 1096 O TYR A 67 6.905 4.872 -1.318 1.00 0.00 O ATOM 1097 CB TYR A 67 6.855 4.037 1.899 1.00 0.00 C ATOM 1098 CG TYR A 67 8.163 3.277 1.875 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.059 3.470 0.816 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.430 2.293 2.840 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.202 2.663 0.696 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.566 1.477 2.717 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.454 1.659 1.644 1.00 0.00 C ATOM 1104 OH TYR A 67 11.551 0.858 1.526 1.00 0.00 O ATOM 0 H TYR A 67 7.059 2.351 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 67 4.914 3.940 0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.077 5.097 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.292 3.723 2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.870 4.244 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.761 2.164 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.887 2.815 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.758 0.707 3.450 1.00 0.00 H new ATOM 0 HH TYR A 67 11.571 0.219 2.269 1.00 0.00 H new ATOM 1114 N THR A 68 5.582 6.148 -0.008 1.00 0.00 N ATOM 1115 CA THR A 68 5.756 7.412 -0.714 1.00 0.00 C ATOM 1116 C THR A 68 5.908 8.546 0.309 1.00 0.00 C ATOM 1117 O THR A 68 5.925 8.295 1.514 1.00 0.00 O ATOM 1118 CB THR A 68 4.590 7.640 -1.688 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.906 8.686 -2.585 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.269 7.958 -0.987 1.00 0.00 C ATOM 0 H THR A 68 4.933 6.218 0.776 1.00 0.00 H new ATOM 0 HA THR A 68 6.664 7.388 -1.316 1.00 0.00 H new ATOM 0 HB THR A 68 4.451 6.702 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.482 8.342 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.488 8.108 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.994 7.129 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.382 8.865 -0.393 1.00 0.00 H new ATOM 1128 N GLU A 69 5.980 9.790 -0.175 1.00 0.00 N ATOM 1129 CA GLU A 69 6.162 10.985 0.636 1.00 0.00 C ATOM 1130 C GLU A 69 4.911 11.860 0.526 1.00 0.00 C ATOM 1131 O GLU A 69 4.927 12.881 -0.161 1.00 0.00 O ATOM 1132 CB GLU A 69 7.420 11.723 0.175 1.00 0.00 C ATOM 1133 CG GLU A 69 8.643 10.804 0.201 1.00 0.00 C ATOM 1134 CD GLU A 69 9.912 11.555 -0.177 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.489 12.194 0.728 1.00 0.00 O ATOM 1136 OE2 GLU A 69 10.283 11.469 -1.369 1.00 0.00 O ATOM 0 H GLU A 69 5.911 9.993 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 69 6.297 10.722 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.271 12.105 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.596 12.585 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.756 10.374 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.491 9.974 -0.489 1.00 0.00 H new ATOM 1143 N PHE A 70 3.807 11.442 1.160 1.00 0.00 N ATOM 1144 CA PHE A 70 2.508 12.058 0.921 1.00 0.00 C ATOM 1145 C PHE A 70 2.415 13.440 1.562 1.00 0.00 C ATOM 1146 O PHE A 70 2.848 13.635 2.694 1.00 0.00 O ATOM 1147 CB PHE A 70 1.349 11.174 1.399 1.00 0.00 C ATOM 1148 CG PHE A 70 0.970 11.337 2.852 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.814 10.821 3.840 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.146 12.108 3.217 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.445 10.885 5.193 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.385 12.359 4.578 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.351 11.678 5.566 1.00 0.00 C ATOM 0 H PHE A 70 3.794 10.681 1.839 1.00 0.00 H new ATOM 0 HA PHE A 70 2.418 12.171 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.474 11.388 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.613 10.131 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.755 10.371 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.810 12.502 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.997 10.330 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.137 13.078 4.868 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.074 11.766 6.606 1.00 0.00 H new ATOM 1163 N THR A 71 1.828 14.383 0.827 1.00 0.00 N ATOM 1164 CA THR A 71 1.644 15.760 1.262 1.00 0.00 C ATOM 1165 C THR A 71 0.141 16.064 1.242 1.00 0.00 C ATOM 1166 O THR A 71 -0.424 16.217 0.159 1.00 0.00 O ATOM 1167 CB THR A 71 2.438 16.705 0.346 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.757 16.225 0.183 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.499 18.106 0.966 1.00 0.00 C ATOM 0 H THR A 71 1.460 14.204 -0.107 1.00 0.00 H new ATOM 0 HA THR A 71 2.020 15.908 2.274 1.00 0.00 H new ATOM 0 HB THR A 71 1.939 16.750 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.256 16.832 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.063 18.770 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.488 18.493 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.989 18.053 1.938 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.527 16.111 2.405 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.975 16.217 2.498 1.00 0.00 C ATOM 1179 C PRO A 72 -2.417 17.673 2.345 1.00 0.00 C ATOM 1180 O PRO A 72 -2.797 18.328 3.314 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.320 15.629 3.865 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.097 15.986 4.712 1.00 0.00 C ATOM 1183 CD PRO A 72 0.061 15.918 3.717 1.00 0.00 C ATOM 0 HA PRO A 72 -2.496 15.681 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.233 16.063 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.475 14.551 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.190 16.979 5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.960 15.284 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.803 16.688 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.572 14.957 3.778 1.00 0.00 H new ATOM 1191 N THR A 73 -2.373 18.173 1.107 1.00 0.00 N ATOM 1192 CA THR A 73 -2.803 19.518 0.764 1.00 0.00 C ATOM 1193 C THR A 73 -4.330 19.587 0.770 1.00 0.00 C ATOM 1194 O THR A 73 -4.982 19.310 -0.234 1.00 0.00 O ATOM 1195 CB THR A 73 -2.211 19.941 -0.585 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.415 18.943 -1.563 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.705 20.195 -0.466 1.00 0.00 C ATOM 0 H THR A 73 -2.031 17.641 0.307 1.00 0.00 H new ATOM 0 HA THR A 73 -2.434 20.222 1.510 1.00 0.00 H new ATOM 0 HB THR A 73 -2.719 20.858 -0.883 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.348 18.643 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.309 20.494 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.526 20.989 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.207 19.283 -0.136 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.879 19.968 1.927 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.301 20.122 2.196 1.00 0.00 C ATOM 1207 C GLU A 74 -7.060 18.805 1.993 1.00 0.00 C ATOM 1208 O GLU A 74 -7.108 17.991 2.914 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.892 21.308 1.416 1.00 0.00 C ATOM 1210 CG GLU A 74 -6.238 22.633 1.822 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.904 23.802 1.105 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -8.013 24.177 1.544 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -6.301 24.290 0.126 1.00 0.00 O ATOM 0 H GLU A 74 -4.307 20.188 2.742 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.426 20.369 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.754 21.146 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.966 21.362 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.317 22.768 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.175 22.609 1.581 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.676 18.607 0.819 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.580 17.492 0.551 1.00 0.00 C ATOM 1222 C LYS A 75 -7.924 16.428 -0.336 1.00 0.00 C ATOM 1223 O LYS A 75 -8.610 15.767 -1.116 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.877 18.027 -0.079 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.540 19.163 0.715 1.00 0.00 C ATOM 1226 CD LYS A 75 -10.923 18.741 2.141 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.616 19.878 2.902 1.00 0.00 C ATOM 1228 NZ LYS A 75 -12.918 20.234 2.310 1.00 0.00 N ATOM 0 H LYS A 75 -7.555 19.230 0.020 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.819 17.003 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.659 18.382 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.586 17.205 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.860 20.014 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.433 19.498 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.584 17.875 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.028 18.433 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.760 19.582 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.970 20.756 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.424 20.882 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.767 20.699 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.484 19.372 2.172 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.608 16.232 -0.196 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.894 15.155 -0.864 1.00 0.00 C ATOM 1244 C ASP A 76 -6.156 13.845 -0.119 1.00 0.00 C ATOM 1245 O ASP A 76 -5.506 13.549 0.884 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.396 15.473 -0.938 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.037 16.228 -2.212 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.547 17.357 -2.371 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.267 15.652 -3.013 1.00 0.00 O ATOM 0 H ASP A 76 -6.013 16.821 0.387 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.253 15.051 -1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.108 16.067 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.825 14.545 -0.893 1.00 0.00 H new ATOM 1254 N GLU A 77 -7.115 13.064 -0.628 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.512 11.778 -0.080 1.00 0.00 C ATOM 1256 C GLU A 77 -6.584 10.695 -0.636 1.00 0.00 C ATOM 1257 O GLU A 77 -6.946 9.985 -1.573 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.989 11.537 -0.432 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.553 10.268 0.220 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.999 10.030 -0.208 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.882 10.708 0.360 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.196 9.179 -1.103 1.00 0.00 O ATOM 0 H GLU A 77 -7.648 13.324 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.421 11.755 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.579 12.397 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.093 11.461 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.942 9.409 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.501 10.358 1.305 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.379 10.571 -0.064 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.428 9.539 -0.453 1.00 0.00 C ATOM 1271 C TYR A 78 -4.992 8.153 -0.135 1.00 0.00 C ATOM 1272 O TYR A 78 -5.536 7.922 0.944 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.062 9.753 0.209 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.138 10.712 -0.513 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.394 12.092 -0.461 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.961 10.246 -1.130 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.483 13.007 -1.015 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.014 11.168 -1.609 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.274 12.548 -1.558 1.00 0.00 C ATOM 1280 OH TYR A 78 0.651 13.439 -2.021 1.00 0.00 O ATOM 0 H TYR A 78 -5.043 11.185 0.678 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.273 9.608 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.221 10.121 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.563 8.788 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.298 12.452 0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.787 9.185 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.713 14.062 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.920 10.813 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 78 1.431 12.953 -2.363 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.856 7.239 -1.098 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.281 5.854 -1.013 1.00 0.00 C ATOM 1292 C ALA A 79 -4.215 4.952 -1.625 1.00 0.00 C ATOM 1293 O ALA A 79 -3.275 5.431 -2.260 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.613 5.676 -1.748 1.00 0.00 C ATOM 0 H ALA A 79 -4.426 7.462 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.417 5.580 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.929 4.635 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.369 6.314 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.490 5.952 -2.795 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.389 3.642 -1.439 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.533 2.603 -1.986 1.00 0.00 C ATOM 1302 C CYS A 80 -4.405 1.576 -2.690 1.00 0.00 C ATOM 1303 O CYS A 80 -5.276 0.976 -2.064 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.706 1.965 -0.864 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.213 2.920 -0.521 1.00 0.00 S ATOM 0 H CYS A 80 -5.158 3.269 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.835 3.025 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.310 1.894 0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.433 0.948 -1.145 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.147 1.358 -3.985 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.713 0.227 -4.706 1.00 0.00 C ATOM 1312 C ARG A 81 -4.273 -1.052 -3.988 1.00 0.00 C ATOM 1313 O ARG A 81 -3.156 -1.104 -3.485 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.197 0.233 -6.153 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.820 -0.872 -7.023 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.066 -1.075 -8.342 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.055 0.137 -9.170 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.611 0.198 -10.437 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -3.232 -0.905 -11.100 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.543 1.389 -11.047 1.00 0.00 N ATOM 0 H ARG A 81 -3.546 1.957 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.801 0.286 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.408 1.203 -6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.114 0.114 -6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.828 -1.808 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.859 -0.619 -7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.040 -1.376 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.528 -1.889 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.411 0.997 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.277 -1.816 -10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.899 -0.833 -12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.826 2.233 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.208 1.451 -12.008 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.118 -2.084 -3.929 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.681 -3.415 -3.559 1.00 0.00 C ATOM 1336 C VAL A 82 -5.308 -4.393 -4.548 1.00 0.00 C ATOM 1337 O VAL A 82 -6.465 -4.776 -4.386 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.033 -3.727 -2.095 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.379 -5.058 -1.725 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.531 -2.649 -1.124 1.00 0.00 C ATOM 0 H VAL A 82 -6.114 -2.013 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.596 -3.501 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.119 -3.765 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.614 -5.303 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.758 -5.844 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.298 -4.978 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.807 -2.920 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.446 -2.570 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.983 -1.690 -1.379 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.539 -4.783 -5.574 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.924 -5.809 -6.532 1.00 0.00 C ATOM 1352 C ASN A 83 -3.861 -6.908 -6.514 1.00 0.00 C ATOM 1353 O ASN A 83 -2.959 -6.914 -7.348 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.097 -5.206 -7.934 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.778 -6.186 -8.888 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.963 -6.051 -9.182 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.031 -7.179 -9.373 1.00 0.00 N ATOM 0 H ASN A 83 -3.619 -4.383 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.887 -6.239 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.688 -4.292 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.122 -4.927 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.441 -7.860 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.050 -7.257 -9.105 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.972 -7.855 -5.577 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.200 -9.088 -5.623 1.00 0.00 C ATOM 1366 C HIS A 84 -3.808 -9.946 -6.740 1.00 0.00 C ATOM 1367 O HIS A 84 -4.995 -9.808 -7.042 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.344 -9.800 -4.280 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.593 -11.098 -4.215 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.225 -12.264 -3.793 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.294 -11.386 -4.542 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.285 -13.205 -3.866 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -1.118 -12.737 -4.331 1.00 0.00 N ATOM 0 H HIS A 84 -4.596 -7.784 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.143 -8.903 -5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.988 -9.142 -3.487 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.400 -9.989 -4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.550 -10.688 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.446 -14.234 -3.581 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.267 -13.275 -4.496 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.031 -10.848 -7.348 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.556 -11.708 -8.404 1.00 0.00 C ATOM 1383 C VAL A 85 -4.716 -12.587 -7.919 1.00 0.00 C ATOM 1384 O VAL A 85 -5.594 -12.906 -8.716 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.430 -12.509 -9.080 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.831 -13.583 -8.168 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.918 -13.161 -10.381 1.00 0.00 C ATOM 0 H VAL A 85 -2.047 -10.998 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.985 -11.063 -9.171 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.645 -11.787 -9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.042 -14.114 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.414 -13.113 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.609 -14.288 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.101 -13.720 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.743 -13.838 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.257 -12.388 -11.070 1.00 0.00 H new ATOM 1397 N THR A 86 -4.753 -12.959 -6.629 1.00 0.00 N ATOM 1398 CA THR A 86 -5.851 -13.751 -6.082 1.00 0.00 C ATOM 1399 C THR A 86 -7.085 -12.895 -5.768 1.00 0.00 C ATOM 1400 O THR A 86 -8.195 -13.424 -5.773 1.00 0.00 O ATOM 1401 CB THR A 86 -5.377 -14.646 -4.921 1.00 0.00 C ATOM 1402 OG1 THR A 86 -5.777 -15.975 -5.171 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.893 -14.244 -3.535 1.00 0.00 C ATOM 0 H THR A 86 -4.031 -12.720 -5.950 1.00 0.00 H new ATOM 0 HA THR A 86 -6.190 -14.440 -6.856 1.00 0.00 H new ATOM 0 HB THR A 86 -4.294 -14.530 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.020 -16.483 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.504 -14.935 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.561 -13.232 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.982 -14.278 -3.528 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.920 -11.582 -5.534 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.052 -10.668 -5.457 1.00 0.00 C ATOM 1413 C LEU A 87 -8.718 -10.566 -6.829 1.00 0.00 C ATOM 1414 O LEU A 87 -9.931 -10.738 -6.931 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.597 -9.279 -4.973 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.838 -9.039 -3.478 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.153 -10.084 -2.593 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.327 -7.637 -3.122 1.00 0.00 C ATOM 0 H LEU A 87 -6.012 -11.139 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.773 -11.055 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.534 -9.160 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.123 -8.514 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.908 -9.124 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.358 -9.864 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.536 -11.075 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.077 -10.058 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.491 -7.449 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.262 -7.571 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.865 -6.893 -3.710 1.00 0.00 H new ATOM 1430 N SER A 88 -7.929 -10.247 -7.866 1.00 0.00 N ATOM 1431 CA SER A 88 -8.410 -9.945 -9.213 1.00 0.00 C ATOM 1432 C SER A 88 -9.384 -8.756 -9.220 1.00 0.00 C ATOM 1433 O SER A 88 -10.178 -8.617 -10.149 1.00 0.00 O ATOM 1434 CB SER A 88 -9.046 -11.185 -9.862 1.00 0.00 C ATOM 1435 OG SER A 88 -8.167 -12.286 -9.806 1.00 0.00 O ATOM 0 H SER A 88 -6.914 -10.192 -7.784 1.00 0.00 H new ATOM 0 HA SER A 88 -7.544 -9.656 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.977 -11.431 -9.351 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.299 -10.968 -10.900 1.00 0.00 H new ATOM 0 HG SER A 88 -7.306 -11.999 -9.437 1.00 0.00 H new ATOM 1441 N GLN A 89 -9.337 -7.916 -8.178 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.221 -6.785 -7.960 1.00 0.00 C ATOM 1443 C GLN A 89 -9.408 -5.716 -7.225 1.00 0.00 C ATOM 1444 O GLN A 89 -8.863 -6.012 -6.162 1.00 0.00 O ATOM 1445 CB GLN A 89 -11.431 -7.201 -7.112 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.338 -8.206 -7.835 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.612 -8.521 -7.052 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.814 -8.034 -5.942 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.482 -9.345 -7.638 1.00 0.00 N ATOM 0 H GLN A 89 -8.646 -8.019 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.599 -6.406 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.082 -7.639 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.010 -6.315 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.607 -7.808 -8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.785 -9.129 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.279 -9.729 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.351 -9.591 -7.163 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.289 -4.493 -7.766 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.472 -3.450 -7.175 1.00 0.00 C ATOM 1460 C PRO A 90 -9.213 -2.815 -5.997 1.00 0.00 C ATOM 1461 O PRO A 90 -9.933 -1.831 -6.155 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.201 -2.472 -8.322 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.462 -2.582 -9.177 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.833 -4.058 -9.043 1.00 0.00 C ATOM 0 HA PRO A 90 -7.532 -3.811 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.048 -1.456 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.308 -2.747 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.256 -1.930 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.273 -2.305 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.914 -4.193 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.416 -4.641 -9.864 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.018 -3.388 -4.804 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.564 -2.884 -3.556 1.00 0.00 C ATOM 1474 C LYS A 91 -8.792 -1.617 -3.177 1.00 0.00 C ATOM 1475 O LYS A 91 -7.711 -1.708 -2.599 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.443 -3.986 -2.492 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.003 -3.567 -1.126 1.00 0.00 C ATOM 1478 CD LYS A 91 -9.730 -4.668 -0.094 1.00 0.00 C ATOM 1479 CE LYS A 91 -10.268 -4.267 1.284 1.00 0.00 C ATOM 1480 NZ LYS A 91 -9.934 -5.271 2.310 1.00 0.00 N ATOM 0 H LYS A 91 -8.462 -4.235 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.619 -2.624 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.970 -4.875 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.394 -4.261 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.543 -2.632 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.075 -3.385 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.198 -5.598 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.658 -4.856 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.852 -3.301 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.350 -4.146 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.313 -4.967 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.352 -6.187 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.901 -5.368 2.377 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.330 -0.439 -3.520 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.664 0.826 -3.257 1.00 0.00 C ATOM 1496 C ILE A 92 -8.868 1.203 -1.787 1.00 0.00 C ATOM 1497 O ILE A 92 -9.904 1.756 -1.419 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.150 1.939 -4.207 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.335 1.509 -5.672 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.157 3.103 -4.127 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.083 0.905 -6.307 1.00 0.00 C ATOM 0 H ILE A 92 -10.233 -0.345 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.597 0.711 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.147 2.225 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.144 0.781 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.645 2.375 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.481 3.904 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.115 3.476 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.168 2.759 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.296 0.628 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.276 1.637 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.783 0.019 -5.748 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.878 0.896 -0.945 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.902 1.192 0.478 1.00 0.00 C ATOM 1515 C VAL A 93 -7.569 2.669 0.681 1.00 0.00 C ATOM 1516 O VAL A 93 -6.407 3.059 0.573 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.910 0.272 1.211 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.835 0.605 2.709 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.344 -1.190 1.058 1.00 0.00 C ATOM 0 H VAL A 93 -7.024 0.426 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.892 1.006 0.894 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.928 0.428 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.125 -0.064 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.507 1.637 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.820 0.479 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.637 -1.836 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.338 -1.321 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.365 -1.454 0.001 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.586 3.484 0.986 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.394 4.883 1.342 1.00 0.00 C ATOM 1531 C LYS A 94 -7.713 4.956 2.704 1.00 0.00 C ATOM 1532 O LYS A 94 -8.177 4.347 3.667 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.728 5.646 1.358 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.097 6.259 0.000 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.361 5.213 -1.092 1.00 0.00 C ATOM 1536 CE LYS A 94 -10.557 5.852 -2.473 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.676 6.811 -2.500 1.00 0.00 N ATOM 0 H LYS A 94 -9.562 3.187 0.991 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.763 5.358 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.522 4.968 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.675 6.439 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.985 6.880 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.290 6.916 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.526 4.514 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.248 4.635 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.639 6.362 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.737 5.069 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.886 7.072 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.517 6.375 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.416 7.663 -1.964 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.611 5.709 2.767 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.916 6.014 4.000 1.00 0.00 C ATOM 1553 C TRP A 95 -6.476 7.328 4.546 1.00 0.00 C ATOM 1554 O TRP A 95 -6.540 8.318 3.819 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.415 6.128 3.724 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.661 6.804 4.816 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.308 6.279 6.008 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.327 8.212 4.886 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.754 7.263 6.802 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.820 8.497 6.182 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.441 9.278 3.977 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.518 9.808 6.583 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -3.150 10.595 4.370 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.789 10.863 5.701 1.00 0.00 C ATOM 0 H TRP A 95 -6.177 6.126 1.943 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.063 5.224 4.737 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.004 5.130 3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.265 6.678 2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.439 5.247 6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.349 7.101 7.724 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.757 9.082 2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.085 10.000 7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.204 11.399 3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.720 11.884 6.045 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.849 7.335 5.831 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.326 8.515 6.536 1.00 0.00 C ATOM 1577 C ASP A 96 -6.788 8.493 7.965 1.00 0.00 C ATOM 1578 O ASP A 96 -7.518 8.207 8.912 1.00 0.00 O ATOM 1579 CB ASP A 96 -8.847 8.581 6.516 1.00 0.00 C ATOM 1580 CG ASP A 96 -9.422 8.727 5.110 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -9.433 9.875 4.615 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -9.845 7.689 4.557 1.00 0.00 O ATOM 0 H ASP A 96 -6.825 6.500 6.416 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.961 9.411 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.250 7.678 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.176 9.422 7.126 1.00 0.00 H new