USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 536 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 16 THR OG1 : rot 180:sc= 0.162 USER MOD Set 1.2: A 17 CYS SG : rot 180:sc= -0.533 USER MOD Set 1.3: A 20 CYS SG : rot 72:sc= 0.134 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.212 X(o=0.97,f=0.86) USER MOD Set 2.2: A 45 THR OG1 : rot 62:sc= 1.18 USER MOD Single : A 3 SER OG : rot 24:sc= 0.181 USER MOD Single : A 5 GLN : amide:sc= -2.62 K(o=-2.6,f=-6.5!) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 0.683 (180deg=0.127!) USER MOD Single : A 10 MET CE :methyl -163:sc=-0.00957 (180deg=-0.272) USER MOD Single : A 13 SER OG : rot 23:sc= 1.02 USER MOD Single : A 15 MET CE :methyl 177:sc= -0.104 (180deg=-0.127) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc=-0.00343 (180deg=-0.0982) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= -0.709 (180deg=-1.11) USER MOD Single : A 31 MET CE :methyl 154:sc= -0.26 (180deg=-0.898) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.019) USER MOD Single : A 40 ASN : amide:sc= -0.409 K(o=-0.41,f=-2.1) USER MOD Single : A 43 THR OG1 : rot -51:sc=0.000956 USER MOD Single : A 47 ASN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0313 USER MOD Single : A 55 THR OG1 : rot -109:sc= 0.431 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 61 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0.882 (180deg=0.767) USER MOD Single : A 69 TYR OH : rot -15:sc=-0.00273 USER MOD Single : A 70 HIS : no HD1:sc= -0.0944 X(o=-0.094,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 -0.117 15.276 13.205 1.00 0.55 N ATOM 40 CA SER A 3 0.001 13.905 12.746 1.00 0.57 C ATOM 41 C SER A 3 1.462 13.746 12.349 1.00 0.53 C ATOM 42 O SER A 3 1.915 14.461 11.456 1.00 0.72 O ATOM 43 CB SER A 3 -0.923 13.650 11.545 1.00 0.79 C ATOM 44 OG SER A 3 -2.242 14.090 11.818 1.00 0.83 O ATOM 0 HA SER A 3 -0.292 13.190 13.515 1.00 0.57 H new ATOM 0 HB2 SER A 3 -0.537 14.169 10.668 1.00 0.79 H new ATOM 0 HB3 SER A 3 -0.932 12.586 11.308 1.00 0.79 H new ATOM 0 HG SER A 3 -2.219 14.781 12.512 1.00 0.83 H new ATOM 50 N GLU A 4 2.219 12.875 13.022 1.00 0.51 N ATOM 51 CA GLU A 4 3.517 12.504 12.508 1.00 0.45 C ATOM 52 C GLU A 4 3.281 11.499 11.396 1.00 0.62 C ATOM 53 O GLU A 4 2.259 10.816 11.386 1.00 1.21 O ATOM 54 CB GLU A 4 4.379 11.890 13.598 1.00 0.60 C ATOM 55 CG GLU A 4 5.143 12.900 14.429 1.00 0.76 C ATOM 56 CD GLU A 4 6.207 12.228 15.287 1.00 1.22 C ATOM 57 OE1 GLU A 4 7.134 11.648 14.678 1.00 2.01 O ATOM 58 OE2 GLU A 4 6.068 12.293 16.525 1.00 2.32 O ATOM 0 H GLU A 4 1.955 12.430 13.901 1.00 0.51 H new ATOM 0 HA GLU A 4 4.045 13.383 12.138 1.00 0.45 H new ATOM 0 HB2 GLU A 4 3.744 11.299 14.258 1.00 0.60 H new ATOM 0 HB3 GLU A 4 5.089 11.202 13.139 1.00 0.60 H new ATOM 0 HG2 GLU A 4 5.613 13.632 13.772 1.00 0.76 H new ATOM 0 HG3 GLU A 4 4.449 13.445 15.069 1.00 0.76 H new ATOM 65 N GLN A 5 4.257 11.396 10.503 1.00 0.44 N ATOM 66 CA GLN A 5 4.266 10.452 9.405 1.00 0.44 C ATOM 67 C GLN A 5 5.348 9.424 9.676 1.00 0.45 C ATOM 68 O GLN A 5 6.385 9.782 10.234 1.00 0.50 O ATOM 69 CB GLN A 5 4.623 11.168 8.107 1.00 0.47 C ATOM 70 CG GLN A 5 3.607 12.228 7.671 1.00 0.48 C ATOM 71 CD GLN A 5 2.971 11.860 6.335 1.00 0.44 C ATOM 72 OE1 GLN A 5 2.919 12.685 5.433 1.00 1.14 O ATOM 73 NE2 GLN A 5 2.555 10.607 6.165 1.00 0.42 N ATOM 0 H GLN A 5 5.087 11.988 10.528 1.00 0.44 H new ATOM 0 HA GLN A 5 3.283 9.989 9.316 1.00 0.44 H new ATOM 0 HB2 GLN A 5 5.598 11.642 8.224 1.00 0.47 H new ATOM 0 HB3 GLN A 5 4.722 10.428 7.313 1.00 0.47 H new ATOM 0 HG2 GLN A 5 2.832 12.328 8.431 1.00 0.48 H new ATOM 0 HG3 GLN A 5 4.100 13.197 7.588 1.00 0.48 H new ATOM 0 HE21 GLN A 5 2.611 9.942 6.936 1.00 0.42 H new ATOM 0 HE22 GLN A 5 2.180 10.312 5.263 1.00 0.42 H new ATOM 82 N LYS A 6 5.158 8.182 9.229 1.00 0.46 N ATOM 83 CA LYS A 6 6.272 7.267 9.042 1.00 0.44 C ATOM 84 C LYS A 6 6.105 6.544 7.709 1.00 0.42 C ATOM 85 O LYS A 6 4.993 6.348 7.211 1.00 0.44 O ATOM 86 CB LYS A 6 6.398 6.245 10.179 1.00 0.49 C ATOM 87 CG LYS A 6 6.641 6.831 11.580 1.00 1.01 C ATOM 88 CD LYS A 6 8.100 6.864 12.074 1.00 1.42 C ATOM 89 CE LYS A 6 9.022 7.925 11.446 1.00 2.73 C ATOM 90 NZ LYS A 6 9.796 7.427 10.290 1.00 4.06 N ATOM 0 H LYS A 6 4.245 7.793 8.992 1.00 0.46 H new ATOM 0 HA LYS A 6 7.189 7.857 9.047 1.00 0.44 H new ATOM 0 HB2 LYS A 6 5.487 5.648 10.208 1.00 0.49 H new ATOM 0 HB3 LYS A 6 7.217 5.566 9.943 1.00 0.49 H new ATOM 0 HG2 LYS A 6 6.254 7.850 11.594 1.00 1.01 H new ATOM 0 HG3 LYS A 6 6.053 6.257 12.296 1.00 1.01 H new ATOM 0 HD2 LYS A 6 8.090 7.019 13.153 1.00 1.42 H new ATOM 0 HD3 LYS A 6 8.541 5.883 11.897 1.00 1.42 H new ATOM 0 HE2 LYS A 6 8.419 8.776 11.129 1.00 2.73 H new ATOM 0 HE3 LYS A 6 9.713 8.289 12.206 1.00 2.73 H new ATOM 0 HZ1 LYS A 6 10.762 7.810 10.328 1.00 4.06 H new ATOM 0 HZ2 LYS A 6 9.834 6.388 10.319 1.00 4.06 H new ATOM 0 HZ3 LYS A 6 9.337 7.732 9.408 1.00 4.06 H new ATOM 104 N GLU A 7 7.247 6.134 7.176 1.00 0.54 N ATOM 105 CA GLU A 7 7.402 5.231 6.063 1.00 0.44 C ATOM 106 C GLU A 7 7.325 3.810 6.612 1.00 0.65 C ATOM 107 O GLU A 7 7.828 3.537 7.701 1.00 1.51 O ATOM 108 CB GLU A 7 8.757 5.436 5.358 1.00 0.42 C ATOM 109 CG GLU A 7 9.405 6.825 5.498 1.00 0.57 C ATOM 110 CD GLU A 7 10.144 7.005 6.822 1.00 0.70 C ATOM 111 OE1 GLU A 7 9.471 7.393 7.804 1.00 1.88 O ATOM 112 OE2 GLU A 7 11.354 6.712 6.873 1.00 2.04 O ATOM 0 H GLU A 7 8.146 6.449 7.540 1.00 0.54 H new ATOM 0 HA GLU A 7 6.618 5.418 5.330 1.00 0.44 H new ATOM 0 HB2 GLU A 7 9.457 4.694 5.742 1.00 0.42 H new ATOM 0 HB3 GLU A 7 8.623 5.228 4.296 1.00 0.42 H new ATOM 0 HG2 GLU A 7 10.102 6.980 4.675 1.00 0.57 H new ATOM 0 HG3 GLU A 7 8.634 7.591 5.411 1.00 0.57 H new ATOM 119 N ILE A 8 6.734 2.903 5.840 1.00 0.43 N ATOM 120 CA ILE A 8 6.791 1.470 6.083 1.00 0.45 C ATOM 121 C ILE A 8 7.320 0.807 4.817 1.00 0.45 C ATOM 122 O ILE A 8 7.355 1.445 3.764 1.00 0.50 O ATOM 123 CB ILE A 8 5.425 0.913 6.529 1.00 0.52 C ATOM 124 CG1 ILE A 8 4.225 1.551 5.828 1.00 1.98 C ATOM 125 CG2 ILE A 8 5.332 0.919 8.059 1.00 1.52 C ATOM 126 CD1 ILE A 8 3.745 2.778 6.586 1.00 2.74 C ATOM 0 H ILE A 8 6.192 3.151 5.012 1.00 0.43 H new ATOM 0 HA ILE A 8 7.466 1.250 6.910 1.00 0.45 H new ATOM 0 HB ILE A 8 5.371 -0.124 6.197 1.00 0.52 H new ATOM 0 HG12 ILE A 8 4.499 1.831 4.811 1.00 1.98 H new ATOM 0 HG13 ILE A 8 3.415 0.826 5.752 1.00 1.98 H new ATOM 0 HG21 ILE A 8 4.364 0.524 8.366 1.00 1.52 H new ATOM 0 HG22 ILE A 8 6.126 0.298 8.474 1.00 1.52 H new ATOM 0 HG23 ILE A 8 5.440 1.940 8.426 1.00 1.52 H new ATOM 0 HD11 ILE A 8 2.891 3.214 6.068 1.00 2.74 H new ATOM 0 HD12 ILE A 8 3.449 2.490 7.595 1.00 2.74 H new ATOM 0 HD13 ILE A 8 4.550 3.511 6.639 1.00 2.74 H new ATOM 138 N ALA A 9 7.755 -0.452 4.928 1.00 0.43 N ATOM 139 CA ALA A 9 8.245 -1.280 3.837 1.00 0.46 C ATOM 140 C ALA A 9 7.621 -2.661 4.021 1.00 0.49 C ATOM 141 O ALA A 9 7.729 -3.219 5.110 1.00 0.60 O ATOM 142 CB ALA A 9 9.773 -1.365 3.898 1.00 0.47 C ATOM 0 H ALA A 9 7.773 -0.938 5.825 1.00 0.43 H new ATOM 0 HA ALA A 9 7.976 -0.863 2.866 1.00 0.46 H new ATOM 0 HB1 ALA A 9 10.136 -1.986 3.079 1.00 0.47 H new ATOM 0 HB2 ALA A 9 10.197 -0.365 3.810 1.00 0.47 H new ATOM 0 HB3 ALA A 9 10.075 -1.805 4.848 1.00 0.47 H new ATOM 148 N MET A 10 6.913 -3.182 3.015 1.00 0.40 N ATOM 149 CA MET A 10 6.242 -4.478 3.091 1.00 0.38 C ATOM 150 C MET A 10 6.423 -5.206 1.756 1.00 0.34 C ATOM 151 O MET A 10 6.896 -4.609 0.788 1.00 0.36 O ATOM 152 CB MET A 10 4.753 -4.288 3.429 1.00 0.57 C ATOM 153 CG MET A 10 4.504 -3.604 4.782 1.00 1.37 C ATOM 154 SD MET A 10 2.843 -2.919 5.020 1.00 1.54 S ATOM 155 CE MET A 10 2.890 -1.538 3.848 1.00 1.98 C ATOM 0 H MET A 10 6.790 -2.711 2.119 1.00 0.40 H new ATOM 0 HA MET A 10 6.682 -5.081 3.885 1.00 0.38 H new ATOM 0 HB2 MET A 10 4.285 -3.697 2.642 1.00 0.57 H new ATOM 0 HB3 MET A 10 4.264 -5.262 3.430 1.00 0.57 H new ATOM 0 HG2 MET A 10 4.696 -4.327 5.575 1.00 1.37 H new ATOM 0 HG3 MET A 10 5.230 -2.799 4.901 1.00 1.37 H new ATOM 0 HE1 MET A 10 2.085 -0.840 4.076 1.00 1.98 H new ATOM 0 HE2 MET A 10 3.849 -1.025 3.928 1.00 1.98 H new ATOM 0 HE3 MET A 10 2.765 -1.917 2.834 1.00 1.98 H new ATOM 165 N GLN A 11 6.046 -6.486 1.709 1.00 0.34 N ATOM 166 CA GLN A 11 6.104 -7.315 0.513 1.00 0.36 C ATOM 167 C GLN A 11 4.725 -7.353 -0.154 1.00 0.35 C ATOM 168 O GLN A 11 3.721 -6.993 0.464 1.00 0.36 O ATOM 169 CB GLN A 11 6.602 -8.717 0.903 1.00 0.45 C ATOM 170 CG GLN A 11 8.081 -8.726 1.313 1.00 0.93 C ATOM 171 CD GLN A 11 8.954 -8.208 0.185 1.00 1.67 C ATOM 172 OE1 GLN A 11 9.698 -7.249 0.357 1.00 2.91 O ATOM 173 NE2 GLN A 11 8.786 -8.790 -0.997 1.00 1.34 N ATOM 0 H GLN A 11 5.684 -6.982 2.523 1.00 0.34 H new ATOM 0 HA GLN A 11 6.803 -6.899 -0.212 1.00 0.36 H new ATOM 0 HB2 GLN A 11 5.998 -9.097 1.727 1.00 0.45 H new ATOM 0 HB3 GLN A 11 6.458 -9.396 0.063 1.00 0.45 H new ATOM 0 HG2 GLN A 11 8.221 -8.109 2.201 1.00 0.93 H new ATOM 0 HG3 GLN A 11 8.384 -9.739 1.578 1.00 0.93 H new ATOM 0 HE21 GLN A 11 8.155 -9.586 -1.088 1.00 1.34 H new ATOM 0 HE22 GLN A 11 9.288 -8.441 -1.813 1.00 1.34 H new ATOM 182 N VAL A 12 4.677 -7.767 -1.423 1.00 0.43 N ATOM 183 CA VAL A 12 3.484 -7.738 -2.265 1.00 0.48 C ATOM 184 C VAL A 12 3.180 -9.157 -2.754 1.00 0.45 C ATOM 185 O VAL A 12 4.100 -9.954 -2.934 1.00 0.50 O ATOM 186 CB VAL A 12 3.724 -6.777 -3.446 1.00 0.69 C ATOM 187 CG1 VAL A 12 2.483 -6.660 -4.340 1.00 1.24 C ATOM 188 CG2 VAL A 12 4.089 -5.373 -2.944 1.00 1.11 C ATOM 0 H VAL A 12 5.494 -8.143 -1.905 1.00 0.43 H new ATOM 0 HA VAL A 12 2.624 -7.379 -1.700 1.00 0.48 H new ATOM 0 HB VAL A 12 4.548 -7.194 -4.025 1.00 0.69 H new ATOM 0 HG11 VAL A 12 2.690 -5.974 -5.162 1.00 1.24 H new ATOM 0 HG12 VAL A 12 2.230 -7.641 -4.741 1.00 1.24 H new ATOM 0 HG13 VAL A 12 1.646 -6.281 -3.753 1.00 1.24 H new ATOM 0 HG21 VAL A 12 4.254 -4.713 -3.796 1.00 1.11 H new ATOM 0 HG22 VAL A 12 3.275 -4.982 -2.334 1.00 1.11 H new ATOM 0 HG23 VAL A 12 4.998 -5.426 -2.345 1.00 1.11 H new ATOM 198 N SER A 13 1.903 -9.485 -2.971 1.00 0.45 N ATOM 199 CA SER A 13 1.461 -10.702 -3.638 1.00 0.48 C ATOM 200 C SER A 13 0.073 -10.450 -4.233 1.00 0.48 C ATOM 201 O SER A 13 -0.509 -9.388 -4.019 1.00 0.62 O ATOM 202 CB SER A 13 1.449 -11.870 -2.644 1.00 0.74 C ATOM 203 OG SER A 13 2.768 -12.319 -2.409 1.00 1.29 O ATOM 0 H SER A 13 1.129 -8.890 -2.677 1.00 0.45 H new ATOM 0 HA SER A 13 2.146 -10.970 -4.442 1.00 0.48 H new ATOM 0 HB2 SER A 13 0.991 -11.555 -1.706 1.00 0.74 H new ATOM 0 HB3 SER A 13 0.843 -12.686 -3.037 1.00 0.74 H new ATOM 0 HG SER A 13 3.400 -11.600 -2.618 1.00 1.29 H new ATOM 209 N GLY A 14 -0.449 -11.423 -4.989 1.00 0.56 N ATOM 210 CA GLY A 14 -1.750 -11.308 -5.633 1.00 0.79 C ATOM 211 C GLY A 14 -1.720 -10.189 -6.670 1.00 0.99 C ATOM 212 O GLY A 14 -2.389 -9.172 -6.510 1.00 1.91 O ATOM 0 H GLY A 14 0.023 -12.309 -5.168 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.013 -12.252 -6.111 1.00 0.79 H new ATOM 0 HA3 GLY A 14 -2.518 -11.104 -4.887 1.00 0.79 H new ATOM 216 N MET A 15 -0.920 -10.381 -7.723 1.00 0.90 N ATOM 217 CA MET A 15 -0.625 -9.360 -8.714 1.00 0.97 C ATOM 218 C MET A 15 -0.611 -9.974 -10.112 1.00 1.23 C ATOM 219 O MET A 15 -0.359 -11.169 -10.262 1.00 1.47 O ATOM 220 CB MET A 15 0.711 -8.686 -8.363 1.00 0.91 C ATOM 221 CG MET A 15 1.939 -9.605 -8.474 1.00 1.09 C ATOM 222 SD MET A 15 2.630 -9.835 -10.136 1.00 1.87 S ATOM 223 CE MET A 15 3.351 -8.205 -10.428 1.00 3.25 C ATOM 0 H MET A 15 -0.454 -11.269 -7.908 1.00 0.90 H new ATOM 0 HA MET A 15 -1.401 -8.595 -8.708 1.00 0.97 H new ATOM 0 HB2 MET A 15 0.854 -7.829 -9.021 1.00 0.91 H new ATOM 0 HB3 MET A 15 0.652 -8.301 -7.345 1.00 0.91 H new ATOM 0 HG2 MET A 15 2.723 -9.206 -7.831 1.00 1.09 H new ATOM 0 HG3 MET A 15 1.669 -10.584 -8.078 1.00 1.09 H new ATOM 0 HE1 MET A 15 3.863 -8.201 -11.390 1.00 3.25 H new ATOM 0 HE2 MET A 15 2.561 -7.454 -10.434 1.00 3.25 H new ATOM 0 HE3 MET A 15 4.065 -7.976 -9.637 1.00 3.25 H new ATOM 233 N THR A 16 -0.883 -9.143 -11.118 1.00 1.34 N ATOM 234 CA THR A 16 -0.755 -9.446 -12.532 1.00 1.65 C ATOM 235 C THR A 16 0.561 -8.859 -13.040 1.00 1.13 C ATOM 236 O THR A 16 1.439 -9.592 -13.487 1.00 1.47 O ATOM 237 CB THR A 16 -1.940 -8.793 -13.253 1.00 2.37 C ATOM 238 OG1 THR A 16 -2.193 -7.541 -12.630 1.00 2.50 O ATOM 239 CG2 THR A 16 -3.183 -9.682 -13.158 1.00 3.48 C ATOM 0 H THR A 16 -1.215 -8.193 -10.954 1.00 1.34 H new ATOM 0 HA THR A 16 -0.755 -10.521 -12.713 1.00 1.65 H new ATOM 0 HB THR A 16 -1.704 -8.656 -14.308 1.00 2.37 H new ATOM 0 HG1 THR A 16 -2.947 -7.101 -13.075 1.00 2.50 H new ATOM 0 HG21 THR A 16 -4.014 -9.202 -13.675 1.00 3.48 H new ATOM 0 HG22 THR A 16 -2.976 -10.647 -13.620 1.00 3.48 H new ATOM 0 HG23 THR A 16 -3.445 -9.830 -12.110 1.00 3.48 H new ATOM 247 N CYS A 17 0.670 -7.527 -12.996 1.00 0.84 N ATOM 248 CA CYS A 17 1.800 -6.781 -13.520 1.00 1.18 C ATOM 249 C CYS A 17 2.196 -5.659 -12.561 1.00 1.31 C ATOM 250 O CYS A 17 1.412 -5.231 -11.708 1.00 2.26 O ATOM 251 CB CYS A 17 1.460 -6.243 -14.917 1.00 1.51 C ATOM 252 SG CYS A 17 0.216 -4.922 -14.837 1.00 1.79 S ATOM 0 H CYS A 17 -0.047 -6.931 -12.583 1.00 0.84 H new ATOM 0 HA CYS A 17 2.660 -7.444 -13.611 1.00 1.18 H new ATOM 0 HB2 CYS A 17 2.365 -5.864 -15.392 1.00 1.51 H new ATOM 0 HB3 CYS A 17 1.089 -7.056 -15.541 1.00 1.51 H new ATOM 0 HG CYS A 17 -0.041 -4.494 -16.038 1.00 1.79 H new ATOM 257 N ALA A 18 3.421 -5.155 -12.730 1.00 1.11 N ATOM 258 CA ALA A 18 3.986 -4.077 -11.929 1.00 1.15 C ATOM 259 C ALA A 18 3.409 -2.717 -12.346 1.00 0.97 C ATOM 260 O ALA A 18 4.153 -1.766 -12.575 1.00 1.72 O ATOM 261 CB ALA A 18 5.512 -4.116 -12.068 1.00 1.62 C ATOM 0 H ALA A 18 4.060 -5.497 -13.447 1.00 1.11 H new ATOM 0 HA ALA A 18 3.720 -4.216 -10.881 1.00 1.15 H new ATOM 0 HB1 ALA A 18 5.952 -3.315 -11.474 1.00 1.62 H new ATOM 0 HB2 ALA A 18 5.885 -5.077 -11.714 1.00 1.62 H new ATOM 0 HB3 ALA A 18 5.785 -3.984 -13.115 1.00 1.62 H new ATOM 267 N ALA A 19 2.081 -2.624 -12.438 1.00 0.69 N ATOM 268 CA ALA A 19 1.353 -1.411 -12.785 1.00 0.55 C ATOM 269 C ALA A 19 0.075 -1.345 -11.957 1.00 0.43 C ATOM 270 O ALA A 19 -0.175 -0.349 -11.279 1.00 0.48 O ATOM 271 CB ALA A 19 1.065 -1.361 -14.288 1.00 0.64 C ATOM 0 H ALA A 19 1.466 -3.420 -12.267 1.00 0.69 H new ATOM 0 HA ALA A 19 1.962 -0.537 -12.554 1.00 0.55 H new ATOM 0 HB1 ALA A 19 0.521 -0.447 -14.524 1.00 0.64 H new ATOM 0 HB2 ALA A 19 2.005 -1.376 -14.839 1.00 0.64 H new ATOM 0 HB3 ALA A 19 0.464 -2.225 -14.572 1.00 0.64 H new ATOM 277 N CYS A 20 -0.709 -2.426 -11.920 1.00 0.39 N ATOM 278 CA CYS A 20 -1.800 -2.511 -10.959 1.00 0.38 C ATOM 279 C CYS A 20 -1.257 -2.366 -9.533 1.00 0.34 C ATOM 280 O CYS A 20 -1.853 -1.703 -8.685 1.00 0.44 O ATOM 281 CB CYS A 20 -2.569 -3.827 -11.130 1.00 0.46 C ATOM 282 SG CYS A 20 -3.076 -4.063 -12.855 1.00 1.17 S ATOM 0 H CYS A 20 -0.609 -3.236 -12.532 1.00 0.39 H new ATOM 0 HA CYS A 20 -2.498 -1.694 -11.143 1.00 0.38 H new ATOM 0 HB2 CYS A 20 -1.944 -4.662 -10.813 1.00 0.46 H new ATOM 0 HB3 CYS A 20 -3.448 -3.825 -10.486 1.00 0.46 H new ATOM 0 HG CYS A 20 -2.034 -4.350 -13.578 1.00 1.17 H new ATOM 287 N ALA A 21 -0.069 -2.933 -9.306 1.00 0.31 N ATOM 288 CA ALA A 21 0.700 -2.746 -8.087 1.00 0.42 C ATOM 289 C ALA A 21 0.876 -1.260 -7.733 1.00 0.43 C ATOM 290 O ALA A 21 0.966 -0.906 -6.566 1.00 0.51 O ATOM 291 CB ALA A 21 2.048 -3.449 -8.255 1.00 0.55 C ATOM 0 H ALA A 21 0.388 -3.545 -9.982 1.00 0.31 H new ATOM 0 HA ALA A 21 0.157 -3.186 -7.251 1.00 0.42 H new ATOM 0 HB1 ALA A 21 2.641 -3.320 -7.349 1.00 0.55 H new ATOM 0 HB2 ALA A 21 1.884 -4.512 -8.433 1.00 0.55 H new ATOM 0 HB3 ALA A 21 2.581 -3.017 -9.102 1.00 0.55 H new ATOM 297 N ALA A 22 0.948 -0.366 -8.724 1.00 0.41 N ATOM 298 CA ALA A 22 0.917 1.067 -8.487 1.00 0.44 C ATOM 299 C ALA A 22 -0.500 1.495 -8.114 1.00 0.42 C ATOM 300 O ALA A 22 -0.709 2.193 -7.120 1.00 0.43 O ATOM 301 CB ALA A 22 1.400 1.813 -9.733 1.00 0.49 C ATOM 0 H ALA A 22 1.029 -0.622 -9.708 1.00 0.41 H new ATOM 0 HA ALA A 22 1.584 1.313 -7.661 1.00 0.44 H new ATOM 0 HB1 ALA A 22 1.374 2.887 -9.547 1.00 0.49 H new ATOM 0 HB2 ALA A 22 2.421 1.510 -9.966 1.00 0.49 H new ATOM 0 HB3 ALA A 22 0.750 1.574 -10.575 1.00 0.49 H new ATOM 307 N ARG A 23 -1.465 1.130 -8.965 1.00 0.41 N ATOM 308 CA ARG A 23 -2.858 1.537 -8.828 1.00 0.41 C ATOM 309 C ARG A 23 -3.355 1.332 -7.401 1.00 0.33 C ATOM 310 O ARG A 23 -3.973 2.242 -6.850 1.00 0.34 O ATOM 311 CB ARG A 23 -3.757 0.794 -9.826 1.00 0.50 C ATOM 312 CG ARG A 23 -3.486 1.182 -11.289 1.00 0.78 C ATOM 313 CD ARG A 23 -4.150 2.515 -11.675 1.00 1.66 C ATOM 314 NE ARG A 23 -5.620 2.447 -11.593 1.00 2.26 N ATOM 315 CZ ARG A 23 -6.430 1.884 -12.509 1.00 2.78 C ATOM 316 NH1 ARG A 23 -5.909 1.313 -13.599 1.00 3.21 N ATOM 317 NH2 ARG A 23 -7.756 1.895 -12.326 1.00 3.89 N ATOM 0 H ARG A 23 -1.293 0.536 -9.776 1.00 0.41 H new ATOM 0 HA ARG A 23 -2.910 2.602 -9.055 1.00 0.41 H new ATOM 0 HB2 ARG A 23 -3.610 -0.280 -9.708 1.00 0.50 H new ATOM 0 HB3 ARG A 23 -4.801 1.001 -9.589 1.00 0.50 H new ATOM 0 HG2 ARG A 23 -2.410 1.255 -11.449 1.00 0.78 H new ATOM 0 HG3 ARG A 23 -3.853 0.393 -11.945 1.00 0.78 H new ATOM 0 HD2 ARG A 23 -3.787 3.304 -11.017 1.00 1.66 H new ATOM 0 HD3 ARG A 23 -3.856 2.785 -12.689 1.00 1.66 H new ATOM 0 HE ARG A 23 -6.061 2.862 -10.772 1.00 2.26 H new ATOM 0 HH11 ARG A 23 -4.898 1.304 -13.736 1.00 3.21 H new ATOM 0 HH12 ARG A 23 -6.522 0.886 -14.294 1.00 3.21 H new ATOM 0 HH21 ARG A 23 -8.152 2.330 -11.493 1.00 3.89 H new ATOM 0 HH22 ARG A 23 -8.370 1.469 -13.020 1.00 3.89 H new ATOM 331 N ILE A 24 -3.076 0.173 -6.799 1.00 0.30 N ATOM 332 CA ILE A 24 -3.479 -0.067 -5.417 1.00 0.29 C ATOM 333 C ILE A 24 -2.952 1.021 -4.472 1.00 0.26 C ATOM 334 O ILE A 24 -3.749 1.653 -3.785 1.00 0.27 O ATOM 335 CB ILE A 24 -3.187 -1.502 -4.952 1.00 0.34 C ATOM 336 CG1 ILE A 24 -1.677 -1.713 -4.846 1.00 0.40 C ATOM 337 CG2 ILE A 24 -3.861 -2.504 -5.893 1.00 0.45 C ATOM 338 CD1 ILE A 24 -1.213 -3.159 -4.710 1.00 0.45 C ATOM 0 H ILE A 24 -2.580 -0.601 -7.241 1.00 0.30 H new ATOM 0 HA ILE A 24 -4.565 0.014 -5.379 1.00 0.29 H new ATOM 0 HB ILE A 24 -3.606 -1.668 -3.959 1.00 0.34 H new ATOM 0 HG12 ILE A 24 -1.207 -1.283 -5.730 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.311 -1.152 -3.986 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.649 -3.519 -5.556 1.00 0.45 H new ATOM 0 HG22 ILE A 24 -4.938 -2.338 -5.890 1.00 0.45 H new ATOM 0 HG23 ILE A 24 -3.476 -2.369 -6.904 1.00 0.45 H new ATOM 0 HD11 ILE A 24 -0.125 -3.187 -4.643 1.00 0.45 H new ATOM 0 HD12 ILE A 24 -1.644 -3.596 -3.809 1.00 0.45 H new ATOM 0 HD13 ILE A 24 -1.538 -3.729 -5.581 1.00 0.45 H new ATOM 350 N GLU A 25 -1.645 1.302 -4.478 1.00 0.26 N ATOM 351 CA GLU A 25 -1.044 2.323 -3.626 1.00 0.26 C ATOM 352 C GLU A 25 -1.639 3.706 -3.912 1.00 0.22 C ATOM 353 O GLU A 25 -1.919 4.477 -2.994 1.00 0.26 O ATOM 354 CB GLU A 25 0.486 2.328 -3.802 1.00 0.34 C ATOM 355 CG GLU A 25 1.191 1.508 -2.712 1.00 0.44 C ATOM 356 CD GLU A 25 0.718 0.065 -2.658 1.00 1.16 C ATOM 357 OE1 GLU A 25 1.281 -0.740 -3.426 1.00 2.21 O ATOM 358 OE2 GLU A 25 -0.182 -0.204 -1.835 1.00 2.25 O ATOM 0 H GLU A 25 -0.974 0.823 -5.079 1.00 0.26 H new ATOM 0 HA GLU A 25 -1.271 2.081 -2.588 1.00 0.26 H new ATOM 0 HB2 GLU A 25 0.740 1.923 -4.782 1.00 0.34 H new ATOM 0 HB3 GLU A 25 0.851 3.355 -3.777 1.00 0.34 H new ATOM 0 HG2 GLU A 25 2.266 1.526 -2.889 1.00 0.44 H new ATOM 0 HG3 GLU A 25 1.020 1.978 -1.743 1.00 0.44 H new ATOM 365 N LYS A 26 -1.834 4.036 -5.190 1.00 0.25 N ATOM 366 CA LYS A 26 -2.323 5.362 -5.558 1.00 0.33 C ATOM 367 C LYS A 26 -3.770 5.529 -5.097 1.00 0.37 C ATOM 368 O LYS A 26 -4.133 6.566 -4.547 1.00 0.49 O ATOM 369 CB LYS A 26 -2.185 5.648 -7.059 1.00 0.38 C ATOM 370 CG LYS A 26 -0.812 6.228 -7.441 1.00 0.50 C ATOM 371 CD LYS A 26 0.279 5.158 -7.464 1.00 1.28 C ATOM 372 CE LYS A 26 1.588 5.649 -8.100 1.00 1.06 C ATOM 373 NZ LYS A 26 1.455 5.913 -9.550 1.00 2.79 N ATOM 0 H LYS A 26 -1.663 3.411 -5.977 1.00 0.25 H new ATOM 0 HA LYS A 26 -1.697 6.095 -5.049 1.00 0.33 H new ATOM 0 HB2 LYS A 26 -2.350 4.725 -7.615 1.00 0.38 H new ATOM 0 HB3 LYS A 26 -2.965 6.347 -7.363 1.00 0.38 H new ATOM 0 HG2 LYS A 26 -0.878 6.699 -8.422 1.00 0.50 H new ATOM 0 HG3 LYS A 26 -0.539 7.008 -6.731 1.00 0.50 H new ATOM 0 HD2 LYS A 26 0.478 4.828 -6.444 1.00 1.28 H new ATOM 0 HD3 LYS A 26 -0.083 4.290 -8.015 1.00 1.28 H new ATOM 0 HE2 LYS A 26 1.912 6.560 -7.597 1.00 1.06 H new ATOM 0 HE3 LYS A 26 2.367 4.903 -7.941 1.00 1.06 H new ATOM 0 HZ1 LYS A 26 2.395 6.093 -9.958 1.00 2.79 H new ATOM 0 HZ2 LYS A 26 1.028 5.087 -10.016 1.00 2.79 H new ATOM 0 HZ3 LYS A 26 0.849 6.745 -9.697 1.00 2.79 H new ATOM 387 N GLY A 27 -4.600 4.508 -5.318 1.00 0.38 N ATOM 388 CA GLY A 27 -5.944 4.473 -4.774 1.00 0.44 C ATOM 389 C GLY A 27 -5.881 4.598 -3.254 1.00 0.51 C ATOM 390 O GLY A 27 -6.596 5.404 -2.661 1.00 0.79 O ATOM 0 H GLY A 27 -4.355 3.691 -5.876 1.00 0.38 H new ATOM 0 HA2 GLY A 27 -6.538 5.285 -5.192 1.00 0.44 H new ATOM 0 HA3 GLY A 27 -6.437 3.542 -5.053 1.00 0.44 H new ATOM 394 N LEU A 28 -5.003 3.807 -2.634 1.00 0.37 N ATOM 395 CA LEU A 28 -4.875 3.721 -1.187 1.00 0.43 C ATOM 396 C LEU A 28 -4.550 5.100 -0.598 1.00 0.43 C ATOM 397 O LEU A 28 -5.143 5.483 0.409 1.00 0.52 O ATOM 398 CB LEU A 28 -3.888 2.595 -0.830 1.00 0.44 C ATOM 399 CG LEU A 28 -3.632 2.317 0.660 1.00 0.56 C ATOM 400 CD1 LEU A 28 -2.580 3.281 1.214 1.00 2.33 C ATOM 401 CD2 LEU A 28 -4.920 2.350 1.490 1.00 2.17 C ATOM 0 H LEU A 28 -4.353 3.201 -3.135 1.00 0.37 H new ATOM 0 HA LEU A 28 -5.819 3.442 -0.720 1.00 0.43 H new ATOM 0 HB2 LEU A 28 -4.251 1.674 -1.286 1.00 0.44 H new ATOM 0 HB3 LEU A 28 -2.931 2.827 -1.297 1.00 0.44 H new ATOM 0 HG LEU A 28 -3.242 1.302 0.740 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -2.412 3.069 2.270 1.00 2.33 H new ATOM 0 HD12 LEU A 28 -1.646 3.155 0.666 1.00 2.33 H new ATOM 0 HD13 LEU A 28 -2.931 4.307 1.101 1.00 2.33 H new ATOM 0 HD21 LEU A 28 -4.685 2.148 2.535 1.00 2.17 H new ATOM 0 HD22 LEU A 28 -5.382 3.334 1.406 1.00 2.17 H new ATOM 0 HD23 LEU A 28 -5.611 1.592 1.120 1.00 2.17 H new ATOM 413 N LYS A 29 -3.681 5.887 -1.248 1.00 0.38 N ATOM 414 CA LYS A 29 -3.412 7.267 -0.837 1.00 0.45 C ATOM 415 C LYS A 29 -4.698 8.037 -0.497 1.00 0.48 C ATOM 416 O LYS A 29 -4.690 8.887 0.384 1.00 0.67 O ATOM 417 CB LYS A 29 -2.598 8.026 -1.903 1.00 0.60 C ATOM 418 CG LYS A 29 -2.116 9.386 -1.356 1.00 0.95 C ATOM 419 CD LYS A 29 -1.730 10.410 -2.432 1.00 0.90 C ATOM 420 CE LYS A 29 -0.427 10.034 -3.147 1.00 1.62 C ATOM 421 NZ LYS A 29 0.453 11.198 -3.384 1.00 2.81 N ATOM 0 H LYS A 29 -3.151 5.586 -2.066 1.00 0.38 H new ATOM 0 HA LYS A 29 -2.816 7.205 0.073 1.00 0.45 H new ATOM 0 HB2 LYS A 29 -1.740 7.426 -2.208 1.00 0.60 H new ATOM 0 HB3 LYS A 29 -3.210 8.182 -2.792 1.00 0.60 H new ATOM 0 HG2 LYS A 29 -2.904 9.812 -0.734 1.00 0.95 H new ATOM 0 HG3 LYS A 29 -1.255 9.217 -0.709 1.00 0.95 H new ATOM 0 HD2 LYS A 29 -2.535 10.487 -3.163 1.00 0.90 H new ATOM 0 HD3 LYS A 29 -1.621 11.393 -1.974 1.00 0.90 H new ATOM 0 HE2 LYS A 29 0.109 9.295 -2.551 1.00 1.62 H new ATOM 0 HE3 LYS A 29 -0.664 9.563 -4.101 1.00 1.62 H new ATOM 0 HZ1 LYS A 29 1.347 10.877 -3.808 1.00 2.81 H new ATOM 0 HZ2 LYS A 29 -0.018 11.863 -4.030 1.00 2.81 H new ATOM 0 HZ3 LYS A 29 0.650 11.674 -2.481 1.00 2.81 H new ATOM 435 N ARG A 30 -5.802 7.771 -1.198 1.00 0.45 N ATOM 436 CA ARG A 30 -7.016 8.559 -1.044 1.00 0.49 C ATOM 437 C ARG A 30 -7.683 8.395 0.340 1.00 0.51 C ATOM 438 O ARG A 30 -8.627 9.124 0.634 1.00 0.58 O ATOM 439 CB ARG A 30 -7.951 8.241 -2.223 1.00 0.54 C ATOM 440 CG ARG A 30 -8.924 9.387 -2.528 1.00 1.53 C ATOM 441 CD ARG A 30 -9.681 9.137 -3.842 1.00 1.74 C ATOM 442 NE ARG A 30 -8.797 9.176 -5.024 1.00 2.35 N ATOM 443 CZ ARG A 30 -8.409 10.287 -5.675 1.00 2.69 C ATOM 444 NH1 ARG A 30 -8.737 11.491 -5.197 1.00 3.06 N ATOM 445 NH2 ARG A 30 -7.698 10.187 -6.806 1.00 3.82 N ATOM 0 H ARG A 30 -5.875 7.014 -1.878 1.00 0.45 H new ATOM 0 HA ARG A 30 -6.761 9.618 -1.073 1.00 0.49 H new ATOM 0 HB2 ARG A 30 -7.353 8.031 -3.110 1.00 0.54 H new ATOM 0 HB3 ARG A 30 -8.518 7.337 -1.999 1.00 0.54 H new ATOM 0 HG2 ARG A 30 -9.636 9.491 -1.709 1.00 1.53 H new ATOM 0 HG3 ARG A 30 -8.375 10.326 -2.594 1.00 1.53 H new ATOM 0 HD2 ARG A 30 -10.174 8.166 -3.794 1.00 1.74 H new ATOM 0 HD3 ARG A 30 -10.464 9.887 -3.954 1.00 1.74 H new ATOM 0 HE ARG A 30 -8.451 8.284 -5.377 1.00 2.35 H new ATOM 0 HH11 ARG A 30 -9.282 11.568 -4.338 1.00 3.06 H new ATOM 0 HH12 ARG A 30 -8.443 12.333 -5.691 1.00 3.06 H new ATOM 0 HH21 ARG A 30 -7.451 9.268 -7.173 1.00 3.82 H new ATOM 0 HH22 ARG A 30 -7.404 11.030 -7.300 1.00 3.82 H new ATOM 459 N MET A 31 -7.227 7.457 1.182 1.00 0.49 N ATOM 460 CA MET A 31 -7.762 7.231 2.521 1.00 0.51 C ATOM 461 C MET A 31 -7.068 8.125 3.561 1.00 0.45 C ATOM 462 O MET A 31 -5.958 8.596 3.326 1.00 0.43 O ATOM 463 CB MET A 31 -7.594 5.743 2.863 1.00 0.59 C ATOM 464 CG MET A 31 -8.867 4.951 2.562 1.00 2.28 C ATOM 465 SD MET A 31 -9.677 5.152 0.946 1.00 3.73 S ATOM 466 CE MET A 31 -8.380 4.634 -0.194 1.00 4.17 C ATOM 0 H MET A 31 -6.462 6.826 0.942 1.00 0.49 H new ATOM 0 HA MET A 31 -8.819 7.496 2.542 1.00 0.51 H new ATOM 0 HB2 MET A 31 -6.763 5.329 2.292 1.00 0.59 H new ATOM 0 HB3 MET A 31 -7.340 5.638 3.918 1.00 0.59 H new ATOM 0 HG2 MET A 31 -8.631 3.894 2.681 1.00 2.28 H new ATOM 0 HG3 MET A 31 -9.599 5.203 3.329 1.00 2.28 H new ATOM 0 HE1 MET A 31 -8.831 4.267 -1.116 1.00 4.17 H new ATOM 0 HE2 MET A 31 -7.734 5.482 -0.419 1.00 4.17 H new ATOM 0 HE3 MET A 31 -7.790 3.840 0.263 1.00 4.17 H new ATOM 476 N PRO A 32 -7.711 8.367 4.718 1.00 0.61 N ATOM 477 CA PRO A 32 -7.193 9.260 5.745 1.00 0.65 C ATOM 478 C PRO A 32 -5.864 8.761 6.326 1.00 0.70 C ATOM 479 O PRO A 32 -5.536 7.572 6.276 1.00 0.91 O ATOM 480 CB PRO A 32 -8.295 9.363 6.804 1.00 0.83 C ATOM 481 CG PRO A 32 -9.075 8.062 6.634 1.00 0.87 C ATOM 482 CD PRO A 32 -8.993 7.819 5.129 1.00 0.76 C ATOM 0 HA PRO A 32 -6.958 10.242 5.334 1.00 0.65 H new ATOM 0 HB2 PRO A 32 -7.880 9.454 7.808 1.00 0.83 H new ATOM 0 HB3 PRO A 32 -8.928 10.235 6.641 1.00 0.83 H new ATOM 0 HG2 PRO A 32 -8.629 7.245 7.201 1.00 0.87 H new ATOM 0 HG3 PRO A 32 -10.106 8.160 6.973 1.00 0.87 H new ATOM 0 HD2 PRO A 32 -9.057 6.756 4.899 1.00 0.76 H new ATOM 0 HD3 PRO A 32 -9.815 8.309 4.607 1.00 0.76 H new ATOM 490 N GLY A 33 -5.059 9.693 6.831 1.00 0.70 N ATOM 491 CA GLY A 33 -3.744 9.436 7.392 1.00 0.76 C ATOM 492 C GLY A 33 -2.699 9.135 6.323 1.00 0.60 C ATOM 493 O GLY A 33 -1.537 9.500 6.474 1.00 0.80 O ATOM 0 H GLY A 33 -5.317 10.679 6.860 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.425 10.302 7.973 1.00 0.76 H new ATOM 0 HA3 GLY A 33 -3.806 8.594 8.082 1.00 0.76 H new ATOM 497 N VAL A 34 -3.070 8.448 5.241 1.00 0.44 N ATOM 498 CA VAL A 34 -2.141 8.213 4.158 1.00 0.28 C ATOM 499 C VAL A 34 -1.916 9.524 3.416 1.00 0.31 C ATOM 500 O VAL A 34 -2.875 10.199 3.052 1.00 0.54 O ATOM 501 CB VAL A 34 -2.632 7.108 3.223 1.00 0.35 C ATOM 502 CG1 VAL A 34 -1.457 6.733 2.302 1.00 0.34 C ATOM 503 CG2 VAL A 34 -3.107 5.877 4.006 1.00 0.50 C ATOM 0 H VAL A 34 -4.000 8.052 5.101 1.00 0.44 H new ATOM 0 HA VAL A 34 -1.192 7.864 4.565 1.00 0.28 H new ATOM 0 HB VAL A 34 -3.486 7.464 2.646 1.00 0.35 H new ATOM 0 HG11 VAL A 34 -1.769 5.944 1.617 1.00 0.34 H new ATOM 0 HG12 VAL A 34 -1.149 7.609 1.731 1.00 0.34 H new ATOM 0 HG13 VAL A 34 -0.620 6.380 2.905 1.00 0.34 H new ATOM 0 HG21 VAL A 34 -3.449 5.112 3.309 1.00 0.50 H new ATOM 0 HG22 VAL A 34 -2.283 5.484 4.601 1.00 0.50 H new ATOM 0 HG23 VAL A 34 -3.928 6.160 4.666 1.00 0.50 H new ATOM 513 N THR A 35 -0.649 9.869 3.184 1.00 0.26 N ATOM 514 CA THR A 35 -0.290 11.091 2.484 1.00 0.30 C ATOM 515 C THR A 35 0.472 10.752 1.205 1.00 0.31 C ATOM 516 O THR A 35 0.146 11.312 0.156 1.00 0.45 O ATOM 517 CB THR A 35 0.402 12.058 3.453 1.00 0.40 C ATOM 518 OG1 THR A 35 -0.544 12.983 3.948 1.00 0.94 O ATOM 519 CG2 THR A 35 1.563 12.822 2.827 1.00 0.65 C ATOM 0 H THR A 35 0.151 9.308 3.477 1.00 0.26 H new ATOM 0 HA THR A 35 -1.171 11.633 2.139 1.00 0.30 H new ATOM 0 HB THR A 35 0.818 11.449 4.255 1.00 0.40 H new ATOM 0 HG1 THR A 35 -0.104 13.601 4.569 1.00 0.94 H new ATOM 0 HG21 THR A 35 2.004 13.486 3.570 1.00 0.65 H new ATOM 0 HG22 THR A 35 2.317 12.116 2.478 1.00 0.65 H new ATOM 0 HG23 THR A 35 1.199 13.410 1.985 1.00 0.65 H new ATOM 527 N ASP A 36 1.419 9.802 1.239 1.00 0.28 N ATOM 528 CA ASP A 36 1.983 9.297 0.003 1.00 0.32 C ATOM 529 C ASP A 36 2.217 7.802 0.055 1.00 0.28 C ATOM 530 O ASP A 36 2.112 7.172 1.104 1.00 0.25 O ATOM 531 CB ASP A 36 3.190 10.111 -0.492 1.00 0.44 C ATOM 532 CG ASP A 36 2.831 10.702 -1.842 1.00 0.82 C ATOM 533 OD1 ASP A 36 2.666 9.913 -2.800 1.00 2.02 O ATOM 534 OD2 ASP A 36 2.479 11.899 -1.912 1.00 1.55 O ATOM 0 H ASP A 36 1.795 9.385 2.090 1.00 0.28 H new ATOM 0 HA ASP A 36 1.230 9.447 -0.770 1.00 0.32 H new ATOM 0 HB2 ASP A 36 3.434 10.901 0.218 1.00 0.44 H new ATOM 0 HB3 ASP A 36 4.071 9.475 -0.576 1.00 0.44 H new ATOM 539 N ALA A 37 2.429 7.224 -1.119 1.00 0.32 N ATOM 540 CA ALA A 37 2.496 5.785 -1.292 1.00 0.28 C ATOM 541 C ALA A 37 3.270 5.470 -2.562 1.00 0.32 C ATOM 542 O ALA A 37 3.147 6.195 -3.549 1.00 0.40 O ATOM 543 CB ALA A 37 1.080 5.209 -1.309 1.00 0.34 C ATOM 0 H ALA A 37 2.560 7.748 -1.984 1.00 0.32 H new ATOM 0 HA ALA A 37 3.025 5.319 -0.461 1.00 0.28 H new ATOM 0 HB1 ALA A 37 1.129 4.128 -1.439 1.00 0.34 H new ATOM 0 HB2 ALA A 37 0.582 5.439 -0.367 1.00 0.34 H new ATOM 0 HB3 ALA A 37 0.518 5.649 -2.133 1.00 0.34 H new ATOM 549 N ASN A 38 4.104 4.430 -2.531 1.00 0.27 N ATOM 550 CA ASN A 38 5.118 4.228 -3.548 1.00 0.29 C ATOM 551 C ASN A 38 5.385 2.734 -3.589 1.00 0.26 C ATOM 552 O ASN A 38 6.019 2.191 -2.685 1.00 0.30 O ATOM 553 CB ASN A 38 6.430 4.997 -3.253 1.00 0.33 C ATOM 554 CG ASN A 38 6.505 5.755 -1.926 1.00 0.35 C ATOM 555 OD1 ASN A 38 6.758 6.954 -1.903 1.00 0.49 O ATOM 556 ND2 ASN A 38 6.312 5.071 -0.803 1.00 0.36 N ATOM 0 H ASN A 38 4.091 3.714 -1.805 1.00 0.27 H new ATOM 0 HA ASN A 38 4.761 4.613 -4.503 1.00 0.29 H new ATOM 0 HB2 ASN A 38 7.255 4.285 -3.284 1.00 0.33 H new ATOM 0 HB3 ASN A 38 6.594 5.710 -4.061 1.00 0.33 H new ATOM 0 HD21 ASN A 38 6.373 5.543 0.099 1.00 0.36 H new ATOM 0 HD22 ASN A 38 6.102 4.074 -0.843 1.00 0.36 H new ATOM 563 N VAL A 39 4.917 2.066 -4.641 1.00 0.27 N ATOM 564 CA VAL A 39 5.218 0.659 -4.799 1.00 0.26 C ATOM 565 C VAL A 39 6.630 0.560 -5.380 1.00 0.29 C ATOM 566 O VAL A 39 6.918 1.145 -6.423 1.00 0.60 O ATOM 567 CB VAL A 39 4.136 -0.034 -5.643 1.00 0.37 C ATOM 568 CG1 VAL A 39 4.261 0.217 -7.152 1.00 0.62 C ATOM 569 CG2 VAL A 39 4.171 -1.533 -5.347 1.00 0.58 C ATOM 0 H VAL A 39 4.341 2.472 -5.378 1.00 0.27 H new ATOM 0 HA VAL A 39 5.205 0.129 -3.847 1.00 0.26 H new ATOM 0 HB VAL A 39 3.178 0.400 -5.358 1.00 0.37 H new ATOM 0 HG11 VAL A 39 3.461 -0.306 -7.675 1.00 0.62 H new ATOM 0 HG12 VAL A 39 4.186 1.286 -7.350 1.00 0.62 H new ATOM 0 HG13 VAL A 39 5.225 -0.150 -7.503 1.00 0.62 H new ATOM 0 HG21 VAL A 39 3.408 -2.039 -5.939 1.00 0.58 H new ATOM 0 HG22 VAL A 39 5.153 -1.932 -5.603 1.00 0.58 H new ATOM 0 HG23 VAL A 39 3.977 -1.699 -4.287 1.00 0.58 H new ATOM 579 N ASN A 40 7.534 -0.142 -4.695 1.00 0.27 N ATOM 580 CA ASN A 40 8.904 -0.341 -5.145 1.00 0.28 C ATOM 581 C ASN A 40 8.982 -1.756 -5.719 1.00 0.27 C ATOM 582 O ASN A 40 9.778 -2.605 -5.306 1.00 0.28 O ATOM 583 CB ASN A 40 9.853 -0.096 -3.969 1.00 0.30 C ATOM 584 CG ASN A 40 11.318 -0.115 -4.390 1.00 0.37 C ATOM 585 OD1 ASN A 40 11.645 -0.281 -5.561 1.00 0.51 O ATOM 586 ND2 ASN A 40 12.220 0.074 -3.431 1.00 0.58 N ATOM 0 H ASN A 40 7.329 -0.592 -3.803 1.00 0.27 H new ATOM 0 HA ASN A 40 9.204 0.358 -5.925 1.00 0.28 H new ATOM 0 HB2 ASN A 40 9.621 0.867 -3.513 1.00 0.30 H new ATOM 0 HB3 ASN A 40 9.687 -0.858 -3.207 1.00 0.30 H new ATOM 0 HD21 ASN A 40 13.214 0.084 -3.660 1.00 0.58 H new ATOM 0 HD22 ASN A 40 11.918 0.209 -2.466 1.00 0.58 H new ATOM 593 N LEU A 41 8.107 -2.000 -6.698 1.00 0.30 N ATOM 594 CA LEU A 41 7.906 -3.315 -7.288 1.00 0.32 C ATOM 595 C LEU A 41 9.146 -3.709 -8.101 1.00 0.36 C ATOM 596 O LEU A 41 9.419 -4.890 -8.292 1.00 0.43 O ATOM 597 CB LEU A 41 6.596 -3.303 -8.098 1.00 0.43 C ATOM 598 CG LEU A 41 5.756 -4.594 -8.065 1.00 0.51 C ATOM 599 CD1 LEU A 41 6.473 -5.769 -8.736 1.00 1.05 C ATOM 600 CD2 LEU A 41 5.291 -5.005 -6.661 1.00 1.07 C ATOM 0 H LEU A 41 7.513 -1.277 -7.104 1.00 0.30 H new ATOM 0 HA LEU A 41 7.793 -4.084 -6.524 1.00 0.32 H new ATOM 0 HB2 LEU A 41 5.977 -2.484 -7.733 1.00 0.43 H new ATOM 0 HB3 LEU A 41 6.839 -3.081 -9.137 1.00 0.43 H new ATOM 0 HG LEU A 41 4.862 -4.346 -8.637 1.00 0.51 H new ATOM 0 HD11 LEU A 41 5.842 -6.656 -8.688 1.00 1.05 H new ATOM 0 HD12 LEU A 41 6.676 -5.524 -9.779 1.00 1.05 H new ATOM 0 HD13 LEU A 41 7.413 -5.964 -8.220 1.00 1.05 H new ATOM 0 HD21 LEU A 41 4.706 -5.923 -6.725 1.00 1.07 H new ATOM 0 HD22 LEU A 41 6.160 -5.172 -6.024 1.00 1.07 H new ATOM 0 HD23 LEU A 41 4.676 -4.212 -6.235 1.00 1.07 H new ATOM 612 N ALA A 42 9.952 -2.718 -8.501 1.00 0.37 N ATOM 613 CA ALA A 42 11.292 -2.920 -9.036 1.00 0.44 C ATOM 614 C ALA A 42 12.104 -3.915 -8.205 1.00 0.44 C ATOM 615 O ALA A 42 12.877 -4.681 -8.773 1.00 0.54 O ATOM 616 CB ALA A 42 12.032 -1.584 -9.079 1.00 0.46 C ATOM 0 H ALA A 42 9.680 -1.736 -8.458 1.00 0.37 H new ATOM 0 HA ALA A 42 11.184 -3.332 -10.039 1.00 0.44 H new ATOM 0 HB1 ALA A 42 13.034 -1.736 -9.479 1.00 0.46 H new ATOM 0 HB2 ALA A 42 11.488 -0.887 -9.717 1.00 0.46 H new ATOM 0 HB3 ALA A 42 12.102 -1.174 -8.071 1.00 0.46 H new ATOM 622 N THR A 43 11.945 -3.894 -6.875 1.00 0.39 N ATOM 623 CA THR A 43 12.559 -4.878 -5.990 1.00 0.50 C ATOM 624 C THR A 43 11.462 -5.575 -5.169 1.00 0.63 C ATOM 625 O THR A 43 11.609 -5.821 -3.974 1.00 1.27 O ATOM 626 CB THR A 43 13.694 -4.217 -5.190 1.00 0.58 C ATOM 627 OG1 THR A 43 14.533 -5.181 -4.587 1.00 0.81 O ATOM 628 CG2 THR A 43 13.217 -3.212 -4.138 1.00 0.59 C ATOM 0 H THR A 43 11.387 -3.193 -6.388 1.00 0.39 H new ATOM 0 HA THR A 43 13.048 -5.681 -6.542 1.00 0.50 H new ATOM 0 HB THR A 43 14.261 -3.650 -5.928 1.00 0.58 H new ATOM 0 HG1 THR A 43 13.986 -5.828 -4.093 1.00 0.81 H new ATOM 0 HG21 THR A 43 14.079 -2.792 -3.619 1.00 0.59 H new ATOM 0 HG22 THR A 43 12.661 -2.411 -4.626 1.00 0.59 H new ATOM 0 HG23 THR A 43 12.571 -3.716 -3.419 1.00 0.59 H new ATOM 636 N GLU A 44 10.336 -5.870 -5.832 1.00 0.36 N ATOM 637 CA GLU A 44 9.160 -6.549 -5.301 1.00 0.39 C ATOM 638 C GLU A 44 8.820 -6.126 -3.866 1.00 0.41 C ATOM 639 O GLU A 44 8.550 -6.969 -3.013 1.00 0.65 O ATOM 640 CB GLU A 44 9.343 -8.064 -5.437 1.00 0.48 C ATOM 641 CG GLU A 44 9.367 -8.487 -6.913 1.00 0.91 C ATOM 642 CD GLU A 44 9.280 -9.999 -7.060 1.00 1.54 C ATOM 643 OE1 GLU A 44 10.225 -10.669 -6.595 1.00 2.62 O ATOM 644 OE2 GLU A 44 8.264 -10.455 -7.632 1.00 2.10 O ATOM 0 H GLU A 44 10.221 -5.623 -6.815 1.00 0.36 H new ATOM 0 HA GLU A 44 8.296 -6.246 -5.893 1.00 0.39 H new ATOM 0 HB2 GLU A 44 10.272 -8.366 -4.954 1.00 0.48 H new ATOM 0 HB3 GLU A 44 8.533 -8.579 -4.921 1.00 0.48 H new ATOM 0 HG2 GLU A 44 8.535 -8.020 -7.440 1.00 0.91 H new ATOM 0 HG3 GLU A 44 10.283 -8.127 -7.381 1.00 0.91 H new ATOM 651 N THR A 45 8.822 -4.817 -3.606 1.00 0.30 N ATOM 652 CA THR A 45 8.558 -4.225 -2.305 1.00 0.31 C ATOM 653 C THR A 45 7.469 -3.160 -2.473 1.00 0.22 C ATOM 654 O THR A 45 7.313 -2.602 -3.557 1.00 0.25 O ATOM 655 CB THR A 45 9.886 -3.634 -1.802 1.00 0.46 C ATOM 656 OG1 THR A 45 10.828 -4.663 -1.588 1.00 0.64 O ATOM 657 CG2 THR A 45 9.738 -2.863 -0.493 1.00 0.80 C ATOM 0 H THR A 45 9.015 -4.120 -4.325 1.00 0.30 H new ATOM 0 HA THR A 45 8.198 -4.949 -1.575 1.00 0.31 H new ATOM 0 HB THR A 45 10.219 -2.943 -2.577 1.00 0.46 H new ATOM 0 HG1 THR A 45 11.013 -5.119 -2.436 1.00 0.64 H new ATOM 0 HG21 THR A 45 10.709 -2.471 -0.190 1.00 0.80 H new ATOM 0 HG22 THR A 45 9.041 -2.037 -0.634 1.00 0.80 H new ATOM 0 HG23 THR A 45 9.359 -3.530 0.281 1.00 0.80 H new ATOM 665 N VAL A 46 6.723 -2.842 -1.414 1.00 0.22 N ATOM 666 CA VAL A 46 5.828 -1.691 -1.366 1.00 0.20 C ATOM 667 C VAL A 46 6.253 -0.798 -0.204 1.00 0.24 C ATOM 668 O VAL A 46 6.653 -1.322 0.838 1.00 0.30 O ATOM 669 CB VAL A 46 4.359 -2.143 -1.278 1.00 0.27 C ATOM 670 CG1 VAL A 46 4.112 -3.159 -0.162 1.00 0.36 C ATOM 671 CG2 VAL A 46 3.419 -0.955 -1.056 1.00 0.40 C ATOM 0 H VAL A 46 6.726 -3.388 -0.552 1.00 0.22 H new ATOM 0 HA VAL A 46 5.901 -1.109 -2.285 1.00 0.20 H new ATOM 0 HB VAL A 46 4.149 -2.618 -2.236 1.00 0.27 H new ATOM 0 HG11 VAL A 46 3.059 -3.439 -0.151 1.00 0.36 H new ATOM 0 HG12 VAL A 46 4.721 -4.046 -0.336 1.00 0.36 H new ATOM 0 HG13 VAL A 46 4.380 -2.718 0.798 1.00 0.36 H new ATOM 0 HG21 VAL A 46 2.390 -1.311 -0.999 1.00 0.40 H new ATOM 0 HG22 VAL A 46 3.681 -0.452 -0.125 1.00 0.40 H new ATOM 0 HG23 VAL A 46 3.515 -0.255 -1.886 1.00 0.40 H new ATOM 681 N ASN A 47 6.179 0.530 -0.377 1.00 0.24 N ATOM 682 CA ASN A 47 6.446 1.492 0.678 1.00 0.27 C ATOM 683 C ASN A 47 5.235 2.410 0.770 1.00 0.27 C ATOM 684 O ASN A 47 4.706 2.811 -0.268 1.00 0.32 O ATOM 685 CB ASN A 47 7.706 2.306 0.357 1.00 0.27 C ATOM 686 CG ASN A 47 8.995 1.524 0.570 1.00 0.37 C ATOM 687 OD1 ASN A 47 9.669 1.138 -0.382 1.00 0.41 O ATOM 688 ND2 ASN A 47 9.370 1.318 1.828 1.00 0.48 N ATOM 0 H ASN A 47 5.929 0.961 -1.267 1.00 0.24 H new ATOM 0 HA ASN A 47 6.617 0.982 1.626 1.00 0.27 H new ATOM 0 HB2 ASN A 47 7.659 2.642 -0.679 1.00 0.27 H new ATOM 0 HB3 ASN A 47 7.723 3.199 0.982 1.00 0.27 H new ATOM 0 HD21 ASN A 47 10.241 0.826 2.026 1.00 0.48 H new ATOM 0 HD22 ASN A 47 8.787 1.652 2.595 1.00 0.48 H new ATOM 695 N VAL A 48 4.800 2.768 1.981 1.00 0.30 N ATOM 696 CA VAL A 48 3.637 3.611 2.182 1.00 0.31 C ATOM 697 C VAL A 48 4.080 4.655 3.192 1.00 0.36 C ATOM 698 O VAL A 48 4.795 4.307 4.132 1.00 0.54 O ATOM 699 CB VAL A 48 2.422 2.790 2.651 1.00 0.39 C ATOM 700 CG1 VAL A 48 1.165 3.667 2.645 1.00 1.90 C ATOM 701 CG2 VAL A 48 2.172 1.575 1.747 1.00 2.01 C ATOM 0 H VAL A 48 5.252 2.476 2.848 1.00 0.30 H new ATOM 0 HA VAL A 48 3.299 4.085 1.260 1.00 0.31 H new ATOM 0 HB VAL A 48 2.640 2.437 3.659 1.00 0.39 H new ATOM 0 HG11 VAL A 48 0.310 3.079 2.978 1.00 1.90 H new ATOM 0 HG12 VAL A 48 1.308 4.513 3.318 1.00 1.90 H new ATOM 0 HG13 VAL A 48 0.982 4.034 1.635 1.00 1.90 H new ATOM 0 HG21 VAL A 48 1.306 1.022 2.112 1.00 2.01 H new ATOM 0 HG22 VAL A 48 1.984 1.912 0.728 1.00 2.01 H new ATOM 0 HG23 VAL A 48 3.048 0.926 1.759 1.00 2.01 H new ATOM 711 N ILE A 49 3.728 5.916 2.940 1.00 0.26 N ATOM 712 CA ILE A 49 4.056 7.062 3.764 1.00 0.24 C ATOM 713 C ILE A 49 2.741 7.561 4.370 1.00 0.21 C ATOM 714 O ILE A 49 2.010 8.350 3.753 1.00 0.24 O ATOM 715 CB ILE A 49 4.735 8.168 2.924 1.00 0.30 C ATOM 716 CG1 ILE A 49 5.800 7.653 1.940 1.00 0.45 C ATOM 717 CG2 ILE A 49 5.313 9.244 3.854 1.00 0.35 C ATOM 718 CD1 ILE A 49 6.939 6.893 2.615 1.00 0.47 C ATOM 0 H ILE A 49 3.182 6.170 2.117 1.00 0.26 H new ATOM 0 HA ILE A 49 4.762 6.788 4.548 1.00 0.24 H new ATOM 0 HB ILE A 49 3.957 8.600 2.294 1.00 0.30 H new ATOM 0 HG12 ILE A 49 5.322 7.001 1.209 1.00 0.45 H new ATOM 0 HG13 ILE A 49 6.214 8.498 1.390 1.00 0.45 H new ATOM 0 HG21 ILE A 49 5.791 10.022 3.258 1.00 0.35 H new ATOM 0 HG22 ILE A 49 4.510 9.683 4.446 1.00 0.35 H new ATOM 0 HG23 ILE A 49 6.049 8.793 4.519 1.00 0.35 H new ATOM 0 HD11 ILE A 49 7.652 6.560 1.860 1.00 0.47 H new ATOM 0 HD12 ILE A 49 7.443 7.548 3.326 1.00 0.47 H new ATOM 0 HD13 ILE A 49 6.537 6.027 3.141 1.00 0.47 H new ATOM 730 N TYR A 50 2.410 7.070 5.566 1.00 0.27 N ATOM 731 CA TYR A 50 1.152 7.403 6.214 1.00 0.26 C ATOM 732 C TYR A 50 1.397 7.912 7.613 1.00 0.23 C ATOM 733 O TYR A 50 2.522 7.857 8.114 1.00 0.25 O ATOM 734 CB TYR A 50 0.149 6.234 6.166 1.00 0.27 C ATOM 735 CG TYR A 50 0.500 4.900 6.811 1.00 0.42 C ATOM 736 CD1 TYR A 50 0.881 4.808 8.165 1.00 1.59 C ATOM 737 CD2 TYR A 50 0.185 3.719 6.111 1.00 2.21 C ATOM 738 CE1 TYR A 50 1.046 3.551 8.771 1.00 1.53 C ATOM 739 CE2 TYR A 50 0.338 2.463 6.719 1.00 2.31 C ATOM 740 CZ TYR A 50 0.778 2.379 8.048 1.00 0.63 C ATOM 741 OH TYR A 50 0.970 1.162 8.630 1.00 0.71 O ATOM 0 H TYR A 50 3.003 6.438 6.103 1.00 0.27 H new ATOM 0 HA TYR A 50 0.683 8.212 5.654 1.00 0.26 H new ATOM 0 HB2 TYR A 50 -0.776 6.582 6.625 1.00 0.27 H new ATOM 0 HB3 TYR A 50 -0.070 6.038 5.116 1.00 0.27 H new ATOM 0 HD1 TYR A 50 1.047 5.708 8.739 1.00 1.59 H new ATOM 0 HD2 TYR A 50 -0.178 3.780 5.096 1.00 2.21 H new ATOM 0 HE1 TYR A 50 1.380 3.487 9.796 1.00 1.53 H new ATOM 0 HE2 TYR A 50 0.117 1.563 6.164 1.00 2.31 H new ATOM 0 HH TYR A 50 0.736 0.454 7.993 1.00 0.71 H new ATOM 751 N ASP A 51 0.325 8.401 8.227 1.00 0.26 N ATOM 752 CA ASP A 51 0.366 8.872 9.596 1.00 0.29 C ATOM 753 C ASP A 51 -0.065 7.732 10.517 1.00 0.31 C ATOM 754 O ASP A 51 -1.265 7.458 10.593 1.00 0.34 O ATOM 755 CB ASP A 51 -0.529 10.100 9.800 1.00 0.37 C ATOM 756 CG ASP A 51 -0.247 11.276 8.880 1.00 2.36 C ATOM 757 OD1 ASP A 51 0.798 11.240 8.204 1.00 3.80 O ATOM 758 OD2 ASP A 51 -1.070 12.214 8.902 1.00 3.09 O ATOM 0 H ASP A 51 -0.592 8.480 7.786 1.00 0.26 H new ATOM 0 HA ASP A 51 1.384 9.180 9.834 1.00 0.29 H new ATOM 0 HB2 ASP A 51 -1.567 9.797 9.666 1.00 0.37 H new ATOM 0 HB3 ASP A 51 -0.426 10.436 10.832 1.00 0.37 H new ATOM 763 N PRO A 52 0.849 7.077 11.259 1.00 0.40 N ATOM 764 CA PRO A 52 0.491 5.973 12.140 1.00 0.46 C ATOM 765 C PRO A 52 -0.315 6.422 13.370 1.00 0.51 C ATOM 766 O PRO A 52 -0.582 5.606 14.250 1.00 0.61 O ATOM 767 CB PRO A 52 1.815 5.308 12.530 1.00 0.57 C ATOM 768 CG PRO A 52 2.796 6.476 12.485 1.00 0.61 C ATOM 769 CD PRO A 52 2.287 7.299 11.303 1.00 0.55 C ATOM 0 HA PRO A 52 -0.173 5.275 11.630 1.00 0.46 H new ATOM 0 HB2 PRO A 52 1.766 4.857 13.521 1.00 0.57 H new ATOM 0 HB3 PRO A 52 2.093 4.517 11.833 1.00 0.57 H new ATOM 0 HG2 PRO A 52 2.785 7.049 13.412 1.00 0.61 H new ATOM 0 HG3 PRO A 52 3.821 6.138 12.331 1.00 0.61 H new ATOM 0 HD2 PRO A 52 2.516 8.356 11.435 1.00 0.55 H new ATOM 0 HD3 PRO A 52 2.761 6.984 10.373 1.00 0.55 H new ATOM 777 N ALA A 53 -0.702 7.703 13.456 1.00 0.52 N ATOM 778 CA ALA A 53 -1.649 8.193 14.437 1.00 0.62 C ATOM 779 C ALA A 53 -3.071 7.999 13.912 1.00 0.58 C ATOM 780 O ALA A 53 -3.998 7.884 14.711 1.00 0.74 O ATOM 781 CB ALA A 53 -1.373 9.678 14.681 1.00 0.75 C ATOM 0 H ALA A 53 -0.354 8.430 12.831 1.00 0.52 H new ATOM 0 HA ALA A 53 -1.544 7.644 15.373 1.00 0.62 H new ATOM 0 HB1 ALA A 53 -2.078 10.063 15.418 1.00 0.75 H new ATOM 0 HB2 ALA A 53 -0.356 9.803 15.052 1.00 0.75 H new ATOM 0 HB3 ALA A 53 -1.488 10.228 13.747 1.00 0.75 H new ATOM 787 N GLU A 54 -3.236 8.003 12.580 1.00 0.45 N ATOM 788 CA GLU A 54 -4.528 7.969 11.915 1.00 0.45 C ATOM 789 C GLU A 54 -4.704 6.637 11.176 1.00 0.44 C ATOM 790 O GLU A 54 -5.608 5.867 11.497 1.00 0.52 O ATOM 791 CB GLU A 54 -4.678 9.192 10.989 1.00 0.50 C ATOM 792 CG GLU A 54 -5.926 10.022 11.311 1.00 0.66 C ATOM 793 CD GLU A 54 -6.053 11.208 10.359 1.00 1.63 C ATOM 794 OE1 GLU A 54 -6.314 10.952 9.163 1.00 2.61 O ATOM 795 OE2 GLU A 54 -5.881 12.346 10.845 1.00 2.81 O ATOM 0 H GLU A 54 -2.451 8.031 11.929 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.327 8.030 12.653 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -3.793 9.822 11.079 1.00 0.50 H new ATOM 0 HB3 GLU A 54 -4.726 8.856 9.953 1.00 0.50 H new ATOM 0 HG2 GLU A 54 -6.814 9.394 11.237 1.00 0.66 H new ATOM 0 HG3 GLU A 54 -5.874 10.380 12.339 1.00 0.66 H new ATOM 802 N THR A 55 -3.829 6.360 10.203 1.00 0.44 N ATOM 803 CA THR A 55 -3.612 5.033 9.645 1.00 0.52 C ATOM 804 C THR A 55 -2.622 4.185 10.429 1.00 0.56 C ATOM 805 O THR A 55 -2.329 4.460 11.588 1.00 0.55 O ATOM 806 CB THR A 55 -3.576 4.981 8.101 1.00 0.62 C ATOM 807 OG1 THR A 55 -3.204 6.232 7.590 1.00 0.82 O ATOM 808 CG2 THR A 55 -4.997 4.753 7.595 1.00 0.57 C ATOM 0 H THR A 55 -3.240 7.075 9.775 1.00 0.44 H new ATOM 0 HA THR A 55 -4.530 4.473 9.821 1.00 0.52 H new ATOM 0 HB THR A 55 -2.881 4.198 7.796 1.00 0.62 H new ATOM 0 HG1 THR A 55 -3.978 6.654 7.163 1.00 0.82 H new ATOM 0 HG21 THR A 55 -4.993 4.713 6.506 1.00 0.57 H new ATOM 0 HG22 THR A 55 -5.378 3.812 7.991 1.00 0.57 H new ATOM 0 HG23 THR A 55 -5.637 5.571 7.926 1.00 0.57 H new ATOM 816 N GLY A 56 -2.229 3.065 9.834 1.00 0.73 N ATOM 817 CA GLY A 56 -1.695 1.902 10.482 1.00 0.81 C ATOM 818 C GLY A 56 -1.932 0.787 9.468 1.00 1.21 C ATOM 819 O GLY A 56 -1.981 1.033 8.263 1.00 2.68 O ATOM 0 H GLY A 56 -2.284 2.951 8.822 1.00 0.73 H new ATOM 0 HA2 GLY A 56 -0.635 2.020 10.708 1.00 0.81 H new ATOM 0 HA3 GLY A 56 -2.202 1.700 11.426 1.00 0.81 H new ATOM 823 N THR A 57 -2.120 -0.429 9.949 1.00 0.57 N ATOM 824 CA THR A 57 -2.345 -1.612 9.148 1.00 0.74 C ATOM 825 C THR A 57 -3.776 -1.610 8.619 1.00 0.50 C ATOM 826 O THR A 57 -4.029 -2.056 7.501 1.00 0.51 O ATOM 827 CB THR A 57 -2.051 -2.810 10.052 1.00 1.27 C ATOM 828 OG1 THR A 57 -2.691 -2.587 11.297 1.00 1.49 O ATOM 829 CG2 THR A 57 -0.539 -2.906 10.294 1.00 1.45 C ATOM 0 H THR A 57 -2.119 -0.624 10.950 1.00 0.57 H new ATOM 0 HA THR A 57 -1.697 -1.651 8.272 1.00 0.74 H new ATOM 0 HB THR A 57 -2.408 -3.729 9.587 1.00 1.27 H new ATOM 0 HG1 THR A 57 -2.518 -3.345 11.894 1.00 1.49 H new ATOM 0 HG21 THR A 57 -0.327 -3.759 10.938 1.00 1.45 H new ATOM 0 HG22 THR A 57 -0.025 -3.034 9.341 1.00 1.45 H new ATOM 0 HG23 THR A 57 -0.189 -1.993 10.775 1.00 1.45 H new ATOM 837 N ALA A 58 -4.702 -1.138 9.461 1.00 0.55 N ATOM 838 CA ALA A 58 -6.129 -1.340 9.306 1.00 0.57 C ATOM 839 C ALA A 58 -6.652 -0.893 7.955 1.00 0.54 C ATOM 840 O ALA A 58 -7.089 -1.702 7.137 1.00 0.52 O ATOM 841 CB ALA A 58 -6.874 -0.653 10.456 1.00 0.71 C ATOM 0 H ALA A 58 -4.463 -0.591 10.288 1.00 0.55 H new ATOM 0 HA ALA A 58 -6.316 -2.413 9.347 1.00 0.57 H new ATOM 0 HB1 ALA A 58 -7.947 -0.806 10.338 1.00 0.71 H new ATOM 0 HB2 ALA A 58 -6.549 -1.079 11.406 1.00 0.71 H new ATOM 0 HB3 ALA A 58 -6.656 0.415 10.444 1.00 0.71 H new ATOM 847 N ALA A 59 -6.546 0.407 7.693 1.00 0.55 N ATOM 848 CA ALA A 59 -7.268 0.948 6.540 1.00 0.54 C ATOM 849 C ALA A 59 -6.649 0.391 5.266 1.00 0.49 C ATOM 850 O ALA A 59 -7.336 0.101 4.286 1.00 0.49 O ATOM 851 CB ALA A 59 -7.260 2.471 6.516 1.00 0.57 C ATOM 0 H ALA A 59 -5.997 1.078 8.231 1.00 0.55 H new ATOM 0 HA ALA A 59 -8.312 0.643 6.615 1.00 0.54 H new ATOM 0 HB1 ALA A 59 -7.808 2.824 5.642 1.00 0.57 H new ATOM 0 HB2 ALA A 59 -7.735 2.852 7.420 1.00 0.57 H new ATOM 0 HB3 ALA A 59 -6.231 2.829 6.468 1.00 0.57 H new ATOM 857 N ILE A 60 -5.326 0.232 5.325 1.00 0.49 N ATOM 858 CA ILE A 60 -4.545 -0.400 4.298 1.00 0.48 C ATOM 859 C ILE A 60 -5.100 -1.783 4.030 1.00 0.51 C ATOM 860 O ILE A 60 -5.502 -2.031 2.908 1.00 0.58 O ATOM 861 CB ILE A 60 -3.052 -0.358 4.668 1.00 0.49 C ATOM 862 CG1 ILE A 60 -2.507 1.008 4.236 1.00 0.47 C ATOM 863 CG2 ILE A 60 -2.230 -1.432 3.941 1.00 0.57 C ATOM 864 CD1 ILE A 60 -3.080 2.206 5.005 1.00 1.25 C ATOM 0 H ILE A 60 -4.767 0.553 6.116 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.618 0.141 3.355 1.00 0.48 H new ATOM 0 HB ILE A 60 -2.967 -0.535 5.740 1.00 0.49 H new ATOM 0 HG12 ILE A 60 -1.423 1.004 4.354 1.00 0.47 H new ATOM 0 HG13 ILE A 60 -2.712 1.145 3.174 1.00 0.47 H new ATOM 0 HG21 ILE A 60 -1.185 -1.355 4.240 1.00 0.57 H new ATOM 0 HG22 ILE A 60 -2.610 -2.420 4.202 1.00 0.57 H new ATOM 0 HG23 ILE A 60 -2.311 -1.285 2.864 1.00 0.57 H new ATOM 0 HD11 ILE A 60 -2.635 3.127 4.629 1.00 1.25 H new ATOM 0 HD12 ILE A 60 -4.161 2.243 4.868 1.00 1.25 H new ATOM 0 HD13 ILE A 60 -2.852 2.100 6.066 1.00 1.25 H new ATOM 876 N GLN A 61 -5.165 -2.670 5.019 1.00 0.50 N ATOM 877 CA GLN A 61 -5.600 -4.038 4.781 1.00 0.53 C ATOM 878 C GLN A 61 -7.028 -4.027 4.211 1.00 0.52 C ATOM 879 O GLN A 61 -7.302 -4.685 3.204 1.00 0.53 O ATOM 880 CB GLN A 61 -5.517 -4.850 6.074 1.00 0.64 C ATOM 881 CG GLN A 61 -4.491 -5.991 6.025 1.00 0.63 C ATOM 882 CD GLN A 61 -3.027 -5.546 6.015 1.00 0.91 C ATOM 883 OE1 GLN A 61 -2.150 -6.339 5.693 1.00 1.82 O ATOM 884 NE2 GLN A 61 -2.713 -4.302 6.371 1.00 1.11 N ATOM 0 H GLN A 61 -4.923 -2.465 5.988 1.00 0.50 H new ATOM 0 HA GLN A 61 -4.943 -4.513 4.052 1.00 0.53 H new ATOM 0 HB2 GLN A 61 -5.263 -4.181 6.896 1.00 0.64 H new ATOM 0 HB3 GLN A 61 -6.500 -5.267 6.294 1.00 0.64 H new ATOM 0 HG2 GLN A 61 -4.651 -6.641 6.885 1.00 0.63 H new ATOM 0 HG3 GLN A 61 -4.679 -6.590 5.134 1.00 0.63 H new ATOM 0 HE21 GLN A 61 -3.448 -3.647 6.638 1.00 1.11 H new ATOM 0 HE22 GLN A 61 -1.738 -4.004 6.377 1.00 1.11 H new ATOM 893 N GLU A 62 -7.918 -3.239 4.829 1.00 0.50 N ATOM 894 CA GLU A 62 -9.290 -3.073 4.370 1.00 0.51 C ATOM 895 C GLU A 62 -9.321 -2.774 2.872 1.00 0.50 C ATOM 896 O GLU A 62 -9.996 -3.455 2.094 1.00 0.55 O ATOM 897 CB GLU A 62 -9.990 -1.960 5.175 1.00 0.53 C ATOM 898 CG GLU A 62 -10.840 -2.509 6.328 1.00 0.60 C ATOM 899 CD GLU A 62 -10.007 -3.196 7.403 1.00 2.56 C ATOM 900 OE1 GLU A 62 -9.717 -4.396 7.207 1.00 4.07 O ATOM 901 OE2 GLU A 62 -9.695 -2.511 8.401 1.00 3.70 O ATOM 0 H GLU A 62 -7.698 -2.699 5.666 1.00 0.50 H new ATOM 0 HA GLU A 62 -9.832 -4.004 4.536 1.00 0.51 H new ATOM 0 HB2 GLU A 62 -9.239 -1.279 5.575 1.00 0.53 H new ATOM 0 HB3 GLU A 62 -10.624 -1.378 4.507 1.00 0.53 H new ATOM 0 HG2 GLU A 62 -11.403 -1.692 6.779 1.00 0.60 H new ATOM 0 HG3 GLU A 62 -11.568 -3.217 5.931 1.00 0.60 H new ATOM 908 N LYS A 63 -8.611 -1.728 2.456 1.00 0.47 N ATOM 909 CA LYS A 63 -8.600 -1.307 1.084 1.00 0.50 C ATOM 910 C LYS A 63 -7.844 -2.265 0.177 1.00 0.48 C ATOM 911 O LYS A 63 -8.305 -2.502 -0.928 1.00 0.51 O ATOM 912 CB LYS A 63 -8.016 0.093 1.021 1.00 0.54 C ATOM 913 CG LYS A 63 -9.022 1.176 1.414 1.00 0.54 C ATOM 914 CD LYS A 63 -9.999 1.632 0.311 1.00 0.65 C ATOM 915 CE LYS A 63 -11.005 0.582 -0.185 1.00 1.79 C ATOM 916 NZ LYS A 63 -12.093 1.187 -0.981 1.00 2.43 N ATOM 0 H LYS A 63 -8.032 -1.158 3.072 1.00 0.47 H new ATOM 0 HA LYS A 63 -9.624 -1.306 0.711 1.00 0.50 H new ATOM 0 HB2 LYS A 63 -7.151 0.151 1.682 1.00 0.54 H new ATOM 0 HB3 LYS A 63 -7.658 0.287 0.010 1.00 0.54 H new ATOM 0 HG2 LYS A 63 -9.606 0.811 2.259 1.00 0.54 H new ATOM 0 HG3 LYS A 63 -8.468 2.048 1.762 1.00 0.54 H new ATOM 0 HD2 LYS A 63 -10.557 2.492 0.682 1.00 0.65 H new ATOM 0 HD3 LYS A 63 -9.415 1.976 -0.543 1.00 0.65 H new ATOM 0 HE2 LYS A 63 -10.484 -0.161 -0.789 1.00 1.79 H new ATOM 0 HE3 LYS A 63 -11.431 0.056 0.670 1.00 1.79 H new ATOM 0 HZ1 LYS A 63 -12.748 0.443 -1.295 1.00 2.43 H new ATOM 0 HZ2 LYS A 63 -12.607 1.878 -0.398 1.00 2.43 H new ATOM 0 HZ3 LYS A 63 -11.690 1.667 -1.811 1.00 2.43 H new ATOM 930 N ILE A 64 -6.706 -2.798 0.612 1.00 0.43 N ATOM 931 CA ILE A 64 -5.893 -3.773 -0.084 1.00 0.39 C ATOM 932 C ILE A 64 -6.822 -4.886 -0.579 1.00 0.39 C ATOM 933 O ILE A 64 -6.869 -5.190 -1.772 1.00 0.41 O ATOM 934 CB ILE A 64 -4.835 -4.262 0.910 1.00 0.41 C ATOM 935 CG1 ILE A 64 -3.632 -3.314 0.935 1.00 0.56 C ATOM 936 CG2 ILE A 64 -4.422 -5.713 0.715 1.00 0.31 C ATOM 937 CD1 ILE A 64 -2.748 -3.410 -0.299 1.00 0.62 C ATOM 0 H ILE A 64 -6.308 -2.541 1.515 1.00 0.43 H new ATOM 0 HA ILE A 64 -5.377 -3.371 -0.956 1.00 0.39 H new ATOM 0 HB ILE A 64 -5.308 -4.242 1.892 1.00 0.41 H new ATOM 0 HG12 ILE A 64 -3.991 -2.290 1.034 1.00 0.56 H new ATOM 0 HG13 ILE A 64 -3.031 -3.528 1.819 1.00 0.56 H new ATOM 0 HG21 ILE A 64 -3.671 -5.980 1.458 1.00 0.31 H new ATOM 0 HG22 ILE A 64 -5.293 -6.358 0.831 1.00 0.31 H new ATOM 0 HG23 ILE A 64 -4.006 -5.842 -0.284 1.00 0.31 H new ATOM 0 HD11 ILE A 64 -1.918 -2.709 -0.208 1.00 0.62 H new ATOM 0 HD12 ILE A 64 -2.358 -4.424 -0.389 1.00 0.62 H new ATOM 0 HD13 ILE A 64 -3.333 -3.166 -1.186 1.00 0.62 H new ATOM 949 N GLU A 65 -7.619 -5.433 0.349 1.00 0.39 N ATOM 950 CA GLU A 65 -8.656 -6.395 0.026 1.00 0.42 C ATOM 951 C GLU A 65 -9.596 -5.852 -1.055 1.00 0.40 C ATOM 952 O GLU A 65 -9.742 -6.462 -2.107 1.00 0.43 O ATOM 953 CB GLU A 65 -9.488 -6.702 1.273 1.00 0.53 C ATOM 954 CG GLU A 65 -9.002 -7.865 2.144 1.00 0.89 C ATOM 955 CD GLU A 65 -10.130 -8.876 2.335 1.00 2.00 C ATOM 956 OE1 GLU A 65 -11.252 -8.401 2.640 1.00 3.52 O ATOM 957 OE2 GLU A 65 -9.877 -10.077 2.117 1.00 2.05 O ATOM 0 H GLU A 65 -7.555 -5.214 1.343 1.00 0.39 H new ATOM 0 HA GLU A 65 -8.167 -7.297 -0.341 1.00 0.42 H new ATOM 0 HB2 GLU A 65 -9.524 -5.804 1.890 1.00 0.53 H new ATOM 0 HB3 GLU A 65 -10.510 -6.914 0.959 1.00 0.53 H new ATOM 0 HG2 GLU A 65 -8.144 -8.348 1.676 1.00 0.89 H new ATOM 0 HG3 GLU A 65 -8.669 -7.491 3.112 1.00 0.89 H new ATOM 964 N LYS A 66 -10.286 -4.736 -0.785 1.00 0.45 N ATOM 965 CA LYS A 66 -11.326 -4.245 -1.691 1.00 0.56 C ATOM 966 C LYS A 66 -10.761 -3.880 -3.079 1.00 0.51 C ATOM 967 O LYS A 66 -11.470 -3.970 -4.077 1.00 0.56 O ATOM 968 CB LYS A 66 -12.099 -3.077 -1.050 1.00 0.73 C ATOM 969 CG LYS A 66 -13.378 -3.477 -0.282 1.00 0.80 C ATOM 970 CD LYS A 66 -13.168 -4.081 1.119 1.00 2.25 C ATOM 971 CE LYS A 66 -12.994 -5.609 1.121 1.00 3.54 C ATOM 972 NZ LYS A 66 -12.457 -6.114 2.408 1.00 5.30 N ATOM 0 H LYS A 66 -10.143 -4.162 0.046 1.00 0.45 H new ATOM 0 HA LYS A 66 -12.034 -5.057 -1.857 1.00 0.56 H new ATOM 0 HB2 LYS A 66 -11.432 -2.554 -0.365 1.00 0.73 H new ATOM 0 HB3 LYS A 66 -12.371 -2.369 -1.833 1.00 0.73 H new ATOM 0 HG2 LYS A 66 -14.009 -2.594 -0.183 1.00 0.80 H new ATOM 0 HG3 LYS A 66 -13.930 -4.197 -0.886 1.00 0.80 H new ATOM 0 HD2 LYS A 66 -12.288 -3.625 1.572 1.00 2.25 H new ATOM 0 HD3 LYS A 66 -14.020 -3.822 1.747 1.00 2.25 H new ATOM 0 HE2 LYS A 66 -13.955 -6.082 0.921 1.00 3.54 H new ATOM 0 HE3 LYS A 66 -12.323 -5.897 0.312 1.00 3.54 H new ATOM 0 HZ1 LYS A 66 -12.230 -7.125 2.317 1.00 5.30 H new ATOM 0 HZ2 LYS A 66 -11.596 -5.587 2.656 1.00 5.30 H new ATOM 0 HZ3 LYS A 66 -13.169 -5.985 3.155 1.00 5.30 H new ATOM 986 N LEU A 67 -9.496 -3.466 -3.143 1.00 0.46 N ATOM 987 CA LEU A 67 -8.742 -3.214 -4.366 1.00 0.45 C ATOM 988 C LEU A 67 -8.403 -4.521 -5.093 1.00 0.46 C ATOM 989 O LEU A 67 -8.103 -4.496 -6.285 1.00 0.53 O ATOM 990 CB LEU A 67 -7.465 -2.429 -4.032 1.00 0.46 C ATOM 991 CG LEU A 67 -7.755 -0.981 -3.596 1.00 0.52 C ATOM 992 CD1 LEU A 67 -6.553 -0.430 -2.826 1.00 0.53 C ATOM 993 CD2 LEU A 67 -8.028 -0.070 -4.799 1.00 0.58 C ATOM 0 H LEU A 67 -8.945 -3.290 -2.303 1.00 0.46 H new ATOM 0 HA LEU A 67 -9.361 -2.620 -5.038 1.00 0.45 H new ATOM 0 HB2 LEU A 67 -6.925 -2.943 -3.236 1.00 0.46 H new ATOM 0 HB3 LEU A 67 -6.812 -2.418 -4.904 1.00 0.46 H new ATOM 0 HG LEU A 67 -8.644 -0.996 -2.966 1.00 0.52 H new ATOM 0 HD11 LEU A 67 -6.758 0.595 -2.517 1.00 0.53 H new ATOM 0 HD12 LEU A 67 -6.372 -1.045 -1.945 1.00 0.53 H new ATOM 0 HD13 LEU A 67 -5.672 -0.447 -3.467 1.00 0.53 H new ATOM 0 HD21 LEU A 67 -8.228 0.943 -4.450 1.00 0.58 H new ATOM 0 HD22 LEU A 67 -7.157 -0.063 -5.455 1.00 0.58 H new ATOM 0 HD23 LEU A 67 -8.893 -0.442 -5.348 1.00 0.58 H new ATOM 1005 N GLY A 68 -8.441 -5.655 -4.387 1.00 0.44 N ATOM 1006 CA GLY A 68 -8.214 -6.980 -4.938 1.00 0.49 C ATOM 1007 C GLY A 68 -6.738 -7.361 -4.886 1.00 0.43 C ATOM 1008 O GLY A 68 -6.231 -7.952 -5.836 1.00 0.47 O ATOM 0 H GLY A 68 -8.637 -5.669 -3.386 1.00 0.44 H new ATOM 0 HA2 GLY A 68 -8.800 -7.712 -4.382 1.00 0.49 H new ATOM 0 HA3 GLY A 68 -8.563 -7.011 -5.970 1.00 0.49 H new ATOM 1012 N TYR A 69 -6.051 -7.036 -3.785 1.00 0.38 N ATOM 1013 CA TYR A 69 -4.649 -7.363 -3.569 1.00 0.36 C ATOM 1014 C TYR A 69 -4.458 -7.984 -2.190 1.00 0.33 C ATOM 1015 O TYR A 69 -5.387 -8.002 -1.384 1.00 0.32 O ATOM 1016 CB TYR A 69 -3.820 -6.082 -3.690 1.00 0.39 C ATOM 1017 CG TYR A 69 -2.967 -6.093 -4.929 1.00 0.38 C ATOM 1018 CD1 TYR A 69 -3.567 -5.907 -6.185 1.00 1.62 C ATOM 1019 CD2 TYR A 69 -1.591 -6.364 -4.839 1.00 1.84 C ATOM 1020 CE1 TYR A 69 -2.770 -5.822 -7.333 1.00 1.65 C ATOM 1021 CE2 TYR A 69 -0.795 -6.286 -5.990 1.00 1.83 C ATOM 1022 CZ TYR A 69 -1.381 -6.004 -7.235 1.00 0.44 C ATOM 1023 OH TYR A 69 -0.588 -5.831 -8.330 1.00 0.51 O ATOM 0 H TYR A 69 -6.469 -6.527 -3.006 1.00 0.38 H new ATOM 0 HA TYR A 69 -4.322 -8.085 -4.317 1.00 0.36 H new ATOM 0 HB2 TYR A 69 -4.484 -5.218 -3.712 1.00 0.39 H new ATOM 0 HB3 TYR A 69 -3.185 -5.974 -2.811 1.00 0.39 H new ATOM 0 HD1 TYR A 69 -4.641 -5.830 -6.265 1.00 1.62 H new ATOM 0 HD2 TYR A 69 -1.150 -6.630 -3.890 1.00 1.84 H new ATOM 0 HE1 TYR A 69 -3.223 -5.617 -8.292 1.00 1.65 H new ATOM 0 HE2 TYR A 69 0.271 -6.443 -5.919 1.00 1.83 H new ATOM 0 HH TYR A 69 -1.143 -5.822 -9.138 1.00 0.51 H new ATOM 1033 N HIS A 70 -3.235 -8.441 -1.897 1.00 0.35 N ATOM 1034 CA HIS A 70 -2.842 -8.800 -0.545 1.00 0.35 C ATOM 1035 C HIS A 70 -1.338 -8.586 -0.374 1.00 0.39 C ATOM 1036 O HIS A 70 -0.541 -9.096 -1.161 1.00 0.80 O ATOM 1037 CB HIS A 70 -3.269 -10.242 -0.239 1.00 0.61 C ATOM 1038 CG HIS A 70 -3.186 -10.618 1.220 1.00 0.81 C ATOM 1039 ND1 HIS A 70 -2.908 -11.876 1.705 1.00 1.69 N ATOM 1040 CD2 HIS A 70 -3.521 -9.831 2.294 1.00 2.23 C ATOM 1041 CE1 HIS A 70 -3.055 -11.838 3.041 1.00 1.40 C ATOM 1042 NE2 HIS A 70 -3.431 -10.615 3.446 1.00 1.86 N ATOM 0 H HIS A 70 -2.499 -8.569 -2.592 1.00 0.35 H new ATOM 0 HA HIS A 70 -3.348 -8.157 0.175 1.00 0.35 H new ATOM 0 HB2 HIS A 70 -4.294 -10.385 -0.581 1.00 0.61 H new ATOM 0 HB3 HIS A 70 -2.642 -10.924 -0.814 1.00 0.61 H new ATOM 0 HD2 HIS A 70 -3.804 -8.790 2.255 1.00 2.23 H new ATOM 0 HE1 HIS A 70 -2.892 -12.678 3.699 1.00 1.40 H new ATOM 0 HE2 HIS A 70 -3.614 -10.317 4.404 1.00 1.86 H new ATOM 1050 N VAL A 71 -0.945 -7.820 0.646 1.00 0.37 N ATOM 1051 CA VAL A 71 0.450 -7.600 0.978 1.00 0.45 C ATOM 1052 C VAL A 71 0.961 -8.777 1.811 1.00 0.58 C ATOM 1053 O VAL A 71 0.174 -9.602 2.277 1.00 0.89 O ATOM 1054 CB VAL A 71 0.603 -6.263 1.723 1.00 0.69 C ATOM 1055 CG1 VAL A 71 0.291 -5.087 0.797 1.00 2.24 C ATOM 1056 CG2 VAL A 71 -0.244 -6.155 2.999 1.00 2.02 C ATOM 0 H VAL A 71 -1.596 -7.335 1.264 1.00 0.37 H new ATOM 0 HA VAL A 71 1.050 -7.541 0.070 1.00 0.45 H new ATOM 0 HB VAL A 71 1.646 -6.227 2.039 1.00 0.69 H new ATOM 0 HG11 VAL A 71 0.406 -4.152 1.345 1.00 2.24 H new ATOM 0 HG12 VAL A 71 0.978 -5.098 -0.049 1.00 2.24 H new ATOM 0 HG13 VAL A 71 -0.733 -5.172 0.434 1.00 2.24 H new ATOM 0 HG21 VAL A 71 -0.079 -5.183 3.464 1.00 2.02 H new ATOM 0 HG22 VAL A 71 -1.299 -6.261 2.746 1.00 2.02 H new ATOM 0 HG23 VAL A 71 0.043 -6.944 3.694 1.00 2.02 H new ATOM 1066 N VAL A 72 2.281 -8.859 1.986 1.00 0.48 N ATOM 1067 CA VAL A 72 2.946 -9.889 2.767 1.00 0.57 C ATOM 1068 C VAL A 72 3.926 -9.197 3.718 1.00 0.60 C ATOM 1069 O VAL A 72 4.478 -8.147 3.386 1.00 0.45 O ATOM 1070 CB VAL A 72 3.603 -10.929 1.850 1.00 0.61 C ATOM 1071 CG1 VAL A 72 4.083 -12.151 2.643 1.00 0.74 C ATOM 1072 CG2 VAL A 72 2.649 -11.408 0.750 1.00 0.67 C ATOM 0 H VAL A 72 2.930 -8.189 1.574 1.00 0.48 H new ATOM 0 HA VAL A 72 2.232 -10.453 3.367 1.00 0.57 H new ATOM 0 HB VAL A 72 4.456 -10.430 1.391 1.00 0.61 H new ATOM 0 HG11 VAL A 72 4.543 -12.868 1.963 1.00 0.74 H new ATOM 0 HG12 VAL A 72 4.814 -11.837 3.388 1.00 0.74 H new ATOM 0 HG13 VAL A 72 3.234 -12.618 3.142 1.00 0.74 H new ATOM 0 HG21 VAL A 72 3.155 -12.143 0.124 1.00 0.67 H new ATOM 0 HG22 VAL A 72 1.769 -11.863 1.204 1.00 0.67 H new ATOM 0 HG23 VAL A 72 2.344 -10.559 0.138 1.00 0.67 H new ATOM 1082 N ILE A 73 4.098 -9.756 4.919 1.00 0.82 N ATOM 1083 CA ILE A 73 4.843 -9.144 6.012 1.00 0.88 C ATOM 1084 C ILE A 73 5.986 -10.077 6.424 1.00 0.93 C ATOM 1085 O ILE A 73 5.911 -10.759 7.443 1.00 0.96 O ATOM 1086 CB ILE A 73 3.899 -8.814 7.179 1.00 0.92 C ATOM 1087 CG1 ILE A 73 2.656 -8.026 6.730 1.00 1.01 C ATOM 1088 CG2 ILE A 73 4.652 -8.033 8.267 1.00 0.97 C ATOM 1089 CD1 ILE A 73 2.923 -6.630 6.158 1.00 1.32 C ATOM 0 H ILE A 73 3.712 -10.669 5.160 1.00 0.82 H new ATOM 0 HA ILE A 73 5.283 -8.200 5.689 1.00 0.88 H new ATOM 0 HB ILE A 73 3.549 -9.764 7.583 1.00 0.92 H new ATOM 0 HG12 ILE A 73 2.130 -8.612 5.977 1.00 1.01 H new ATOM 0 HG13 ILE A 73 1.984 -7.926 7.583 1.00 1.01 H new ATOM 0 HG21 ILE A 73 3.972 -7.805 9.088 1.00 0.97 H new ATOM 0 HG22 ILE A 73 5.481 -8.635 8.639 1.00 0.97 H new ATOM 0 HG23 ILE A 73 5.038 -7.104 7.847 1.00 0.97 H new ATOM 0 HD11 ILE A 73 1.978 -6.166 5.874 1.00 1.32 H new ATOM 0 HD12 ILE A 73 3.417 -6.016 6.912 1.00 1.32 H new ATOM 0 HD13 ILE A 73 3.564 -6.713 5.281 1.00 1.32 H new