USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 621 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 24 LYS NZ :NH3+ 161:sc= 1.42 (180deg=0.75) USER MOD Set 1.2: A 64 MET CE :methyl -108:sc=-0.00824 (180deg=-0.776) USER MOD Single : A 1 GLY N :NH3+ 166:sc= 0.761 (180deg=-0.453!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -148:sc= -0.424 (180deg=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.03) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.456 (180deg=-0.667) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 20:sc= 0.203 USER MOD Single : A 18 THR OG1 : rot 111:sc= -0.108 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0226 (180deg=-0.212) USER MOD Single : A 29 GLN : amide:sc= -0.0707 K(o=-0.071,f=-1.6!) USER MOD Single : A 32 GLN : amide:sc= -0.0415 K(o=-0.041,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00184) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 93:sc= 0.571 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 50 HIS : no HD1:sc=-0.00914 X(o=-0.0091,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -126:sc= -1.42 (180deg=-3.54!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0.814 (180deg=0.814) USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 0.318 (180deg=-1.81!) USER MOD Single : A 60 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -118:sc= -0.377 (180deg=-0.549) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.704 9.504 8.672 1.00 0.00 N ATOM 2 CA GLY A 1 -10.159 8.656 9.745 1.00 0.00 C ATOM 3 C GLY A 1 -9.179 7.639 9.168 1.00 0.00 C ATOM 4 O GLY A 1 -9.497 6.457 9.085 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.532 10.024 9.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.978 10.180 8.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.988 8.908 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.656 9.275 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.970 8.139 10.258 1.00 0.00 H new ATOM 10 N GLU A 2 -8.016 8.110 8.716 1.00 0.00 N ATOM 11 CA GLU A 2 -7.061 7.333 7.953 1.00 0.00 C ATOM 12 C GLU A 2 -5.735 8.097 7.963 1.00 0.00 C ATOM 13 O GLU A 2 -5.731 9.308 8.178 1.00 0.00 O ATOM 14 CB GLU A 2 -7.597 7.068 6.530 1.00 0.00 C ATOM 15 CG GLU A 2 -7.964 8.323 5.712 1.00 0.00 C ATOM 16 CD GLU A 2 -9.136 9.089 6.304 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.260 8.539 6.328 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.908 10.148 6.932 1.00 0.00 O ATOM 0 H GLU A 2 -7.712 9.070 8.879 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.901 6.350 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.846 6.503 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.481 6.434 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.097 8.981 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.207 8.028 4.691 1.00 0.00 H new ATOM 25 N VAL A 3 -4.620 7.390 7.783 1.00 0.00 N ATOM 26 CA VAL A 3 -3.273 7.911 7.875 1.00 0.00 C ATOM 27 C VAL A 3 -2.455 7.409 6.692 1.00 0.00 C ATOM 28 O VAL A 3 -2.691 6.307 6.195 1.00 0.00 O ATOM 29 CB VAL A 3 -2.623 7.523 9.200 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.917 8.567 10.281 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.104 6.147 9.632 1.00 0.00 C ATOM 0 H VAL A 3 -4.641 6.395 7.559 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.310 9.000 7.843 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.543 7.487 9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.443 8.267 11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.524 9.535 9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.994 8.644 10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.635 5.878 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.187 6.162 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.835 5.413 8.873 1.00 0.00 H new ATOM 41 N VAL A 4 -1.509 8.235 6.239 1.00 0.00 N ATOM 42 CA VAL A 4 -0.697 7.988 5.068 1.00 0.00 C ATOM 43 C VAL A 4 0.423 7.008 5.416 1.00 0.00 C ATOM 44 O VAL A 4 1.115 7.179 6.419 1.00 0.00 O ATOM 45 CB VAL A 4 -0.154 9.340 4.571 1.00 0.00 C ATOM 46 CG1 VAL A 4 1.006 9.157 3.593 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.272 10.143 3.894 1.00 0.00 C ATOM 0 H VAL A 4 -1.288 9.119 6.698 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.283 7.532 4.270 1.00 0.00 H new ATOM 0 HB VAL A 4 0.216 9.884 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.362 10.133 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.817 8.622 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.667 8.585 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.876 11.097 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.661 9.581 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.075 10.322 4.609 1.00 0.00 H new ATOM 57 N LEU A 5 0.617 6.008 4.555 1.00 0.00 N ATOM 58 CA LEU A 5 1.708 5.052 4.607 1.00 0.00 C ATOM 59 C LEU A 5 2.509 5.156 3.323 1.00 0.00 C ATOM 60 O LEU A 5 1.924 5.083 2.246 1.00 0.00 O ATOM 61 CB LEU A 5 1.131 3.648 4.709 1.00 0.00 C ATOM 62 CG LEU A 5 2.137 2.531 4.383 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.394 2.518 5.262 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.358 1.237 4.568 1.00 0.00 C ATOM 0 H LEU A 5 -0.013 5.841 3.771 1.00 0.00 H new ATOM 0 HA LEU A 5 2.344 5.259 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.750 3.496 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.281 3.566 4.032 1.00 0.00 H new ATOM 0 HG LEU A 5 2.523 2.679 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.042 1.696 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.927 3.462 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.107 2.386 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.007 0.388 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.001 1.171 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.507 1.224 3.887 1.00 0.00 H new ATOM 76 N LYS A 6 3.833 5.242 3.456 1.00 0.00 N ATOM 77 CA LYS A 6 4.779 5.087 2.363 1.00 0.00 C ATOM 78 C LYS A 6 5.223 3.622 2.308 1.00 0.00 C ATOM 79 O LYS A 6 5.847 3.136 3.257 1.00 0.00 O ATOM 80 CB LYS A 6 5.984 6.006 2.609 1.00 0.00 C ATOM 81 CG LYS A 6 6.807 6.187 1.325 1.00 0.00 C ATOM 82 CD LYS A 6 6.470 7.510 0.627 1.00 0.00 C ATOM 83 CE LYS A 6 7.189 8.675 1.325 1.00 0.00 C ATOM 84 NZ LYS A 6 6.853 9.976 0.717 1.00 0.00 N ATOM 0 H LYS A 6 4.284 5.426 4.352 1.00 0.00 H new ATOM 0 HA LYS A 6 4.319 5.359 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.639 6.977 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.614 5.585 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.870 6.161 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.613 5.356 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.769 7.464 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.393 7.675 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.918 8.688 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.267 8.519 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.359 10.734 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.134 9.974 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.828 10.138 0.788 1.00 0.00 H new ATOM 98 N MET A 7 4.924 2.929 1.210 1.00 0.00 N ATOM 99 CA MET A 7 5.418 1.587 0.952 1.00 0.00 C ATOM 100 C MET A 7 6.346 1.617 -0.267 1.00 0.00 C ATOM 101 O MET A 7 6.227 2.493 -1.123 1.00 0.00 O ATOM 102 CB MET A 7 4.242 0.612 0.785 1.00 0.00 C ATOM 103 CG MET A 7 3.534 0.759 -0.564 1.00 0.00 C ATOM 104 SD MET A 7 2.302 -0.489 -1.008 1.00 0.00 S ATOM 105 CE MET A 7 3.245 -2.006 -0.761 1.00 0.00 C ATOM 0 H MET A 7 4.325 3.292 0.469 1.00 0.00 H new ATOM 0 HA MET A 7 6.001 1.227 1.800 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.606 -0.410 0.889 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.523 0.777 1.587 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.046 1.733 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.296 0.770 -1.343 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.909 -2.763 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.305 -1.805 -0.919 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.092 -2.368 0.256 1.00 0.00 H new ATOM 115 N LYS A 8 7.229 0.624 -0.352 1.00 0.00 N ATOM 116 CA LYS A 8 8.061 0.331 -1.505 1.00 0.00 C ATOM 117 C LYS A 8 7.400 -0.827 -2.252 1.00 0.00 C ATOM 118 O LYS A 8 7.075 -1.838 -1.632 1.00 0.00 O ATOM 119 CB LYS A 8 9.466 -0.064 -1.023 1.00 0.00 C ATOM 120 CG LYS A 8 10.489 1.068 -1.172 1.00 0.00 C ATOM 121 CD LYS A 8 10.750 1.371 -2.656 1.00 0.00 C ATOM 122 CE LYS A 8 12.210 1.754 -2.915 1.00 0.00 C ATOM 123 NZ LYS A 8 12.457 1.955 -4.356 1.00 0.00 N ATOM 0 H LYS A 8 7.387 -0.025 0.419 1.00 0.00 H new ATOM 0 HA LYS A 8 8.158 1.195 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.414 -0.364 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.807 -0.932 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.123 1.964 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.422 0.789 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.493 0.498 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.099 2.183 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.452 2.666 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.868 0.972 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.481 1.944 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.001 1.192 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.063 2.871 -4.651 1.00 0.00 H new ATOM 137 N VAL A 9 7.205 -0.672 -3.563 1.00 0.00 N ATOM 138 CA VAL A 9 6.651 -1.676 -4.461 1.00 0.00 C ATOM 139 C VAL A 9 7.752 -2.030 -5.460 1.00 0.00 C ATOM 140 O VAL A 9 7.687 -1.674 -6.636 1.00 0.00 O ATOM 141 CB VAL A 9 5.381 -1.140 -5.154 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.678 -2.256 -5.937 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.380 -0.584 -4.138 1.00 0.00 C ATOM 0 H VAL A 9 7.441 0.196 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 9 6.342 -2.571 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 9 5.704 -0.345 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.785 -1.856 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.354 -2.649 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.395 -3.057 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.498 -0.215 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.088 -1.374 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.841 0.233 -3.583 1.00 0.00 H new ATOM 153 N GLU A 10 8.791 -2.702 -4.970 1.00 0.00 N ATOM 154 CA GLU A 10 9.914 -3.081 -5.816 1.00 0.00 C ATOM 155 C GLU A 10 9.470 -4.173 -6.804 1.00 0.00 C ATOM 156 O GLU A 10 8.420 -4.797 -6.639 1.00 0.00 O ATOM 157 CB GLU A 10 11.099 -3.510 -4.944 1.00 0.00 C ATOM 158 CG GLU A 10 11.541 -2.392 -3.984 1.00 0.00 C ATOM 159 CD GLU A 10 12.394 -1.303 -4.626 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.814 -0.426 -5.302 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.607 -1.266 -4.344 1.00 0.00 O ATOM 0 H GLU A 10 8.876 -2.993 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 10 10.249 -2.229 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.825 -4.395 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.936 -3.792 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.653 -1.931 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.102 -2.837 -3.163 1.00 0.00 H new ATOM 168 N GLY A 11 10.249 -4.406 -7.862 1.00 0.00 N ATOM 169 CA GLY A 11 10.012 -5.517 -8.777 1.00 0.00 C ATOM 170 C GLY A 11 8.968 -5.199 -9.850 1.00 0.00 C ATOM 171 O GLY A 11 9.145 -5.588 -11.004 1.00 0.00 O ATOM 0 H GLY A 11 11.056 -3.832 -8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.950 -5.788 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.685 -6.386 -8.207 1.00 0.00 H new ATOM 175 N MET A 12 7.883 -4.502 -9.502 1.00 0.00 N ATOM 176 CA MET A 12 6.930 -4.023 -10.495 1.00 0.00 C ATOM 177 C MET A 12 7.589 -2.940 -11.356 1.00 0.00 C ATOM 178 O MET A 12 7.429 -1.753 -11.094 1.00 0.00 O ATOM 179 CB MET A 12 5.655 -3.491 -9.823 1.00 0.00 C ATOM 180 CG MET A 12 4.823 -4.608 -9.184 1.00 0.00 C ATOM 181 SD MET A 12 3.247 -4.046 -8.490 1.00 0.00 S ATOM 182 CE MET A 12 2.581 -5.615 -7.905 1.00 0.00 C ATOM 0 H MET A 12 7.647 -4.259 -8.540 1.00 0.00 H new ATOM 0 HA MET A 12 6.638 -4.855 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.927 -2.762 -9.060 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.049 -2.968 -10.562 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.626 -5.375 -9.933 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.409 -5.078 -8.394 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.658 -5.436 -7.353 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.374 -6.263 -8.757 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.307 -6.097 -7.250 1.00 0.00 H new ATOM 192 N THR A 13 8.315 -3.346 -12.398 1.00 0.00 N ATOM 193 CA THR A 13 8.982 -2.458 -13.343 1.00 0.00 C ATOM 194 C THR A 13 8.168 -2.293 -14.634 1.00 0.00 C ATOM 195 O THR A 13 8.730 -1.990 -15.685 1.00 0.00 O ATOM 196 CB THR A 13 10.376 -3.038 -13.616 1.00 0.00 C ATOM 197 OG1 THR A 13 10.246 -4.418 -13.909 1.00 0.00 O ATOM 198 CG2 THR A 13 11.275 -2.883 -12.385 1.00 0.00 C ATOM 0 H THR A 13 8.458 -4.333 -12.612 1.00 0.00 H new ATOM 0 HA THR A 13 9.072 -1.457 -12.921 1.00 0.00 H new ATOM 0 HB THR A 13 10.823 -2.503 -14.454 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.131 -4.799 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.259 -3.300 -12.598 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.375 -1.826 -12.138 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.832 -3.412 -11.542 1.00 0.00 H new ATOM 206 N CYS A 14 6.843 -2.468 -14.567 1.00 0.00 N ATOM 207 CA CYS A 14 5.931 -2.262 -15.687 1.00 0.00 C ATOM 208 C CYS A 14 4.968 -1.144 -15.321 1.00 0.00 C ATOM 209 O CYS A 14 4.237 -1.281 -14.347 1.00 0.00 O ATOM 210 CB CYS A 14 5.148 -3.538 -15.983 1.00 0.00 C ATOM 211 SG CYS A 14 3.979 -3.173 -17.317 1.00 0.00 S ATOM 0 H CYS A 14 6.370 -2.763 -13.713 1.00 0.00 H new ATOM 0 HA CYS A 14 6.501 -1.997 -16.578 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.824 -4.341 -16.276 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.618 -3.876 -15.093 1.00 0.00 H new ATOM 0 HG CYS A 14 3.294 -4.241 -17.598 1.00 0.00 H new ATOM 217 N HIS A 15 4.975 -0.038 -16.073 1.00 0.00 N ATOM 218 CA HIS A 15 4.183 1.145 -15.756 1.00 0.00 C ATOM 219 C HIS A 15 2.718 0.792 -15.468 1.00 0.00 C ATOM 220 O HIS A 15 2.116 1.313 -14.530 1.00 0.00 O ATOM 221 CB HIS A 15 4.322 2.179 -16.878 1.00 0.00 C ATOM 222 CG HIS A 15 3.755 3.525 -16.505 1.00 0.00 C ATOM 223 ND1 HIS A 15 4.341 4.453 -15.669 1.00 0.00 N ATOM 224 CD2 HIS A 15 2.554 4.040 -16.919 1.00 0.00 C ATOM 225 CE1 HIS A 15 3.505 5.500 -15.586 1.00 0.00 C ATOM 226 NE2 HIS A 15 2.403 5.297 -16.331 1.00 0.00 N ATOM 0 H HIS A 15 5.534 0.057 -16.921 1.00 0.00 H new ATOM 0 HA HIS A 15 4.570 1.586 -14.838 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.376 2.292 -17.134 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.815 1.811 -17.770 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.242 4.361 -15.201 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.850 3.559 -17.582 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.692 6.387 -14.999 1.00 0.00 H new ATOM 234 N SER A 16 2.150 -0.138 -16.239 1.00 0.00 N ATOM 235 CA SER A 16 0.790 -0.618 -16.029 1.00 0.00 C ATOM 236 C SER A 16 0.750 -1.659 -14.901 1.00 0.00 C ATOM 237 O SER A 16 0.269 -2.774 -15.090 1.00 0.00 O ATOM 238 CB SER A 16 0.245 -1.159 -17.355 1.00 0.00 C ATOM 239 OG SER A 16 -1.166 -1.265 -17.309 1.00 0.00 O ATOM 0 H SER A 16 2.625 -0.578 -17.027 1.00 0.00 H new ATOM 0 HA SER A 16 0.146 0.201 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.539 -0.499 -18.171 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.682 -2.136 -17.562 1.00 0.00 H new ATOM 0 HG SER A 16 -1.496 -1.611 -18.165 1.00 0.00 H new ATOM 245 N CYS A 17 1.233 -1.282 -13.713 1.00 0.00 N ATOM 246 CA CYS A 17 1.098 -2.060 -12.483 1.00 0.00 C ATOM 247 C CYS A 17 0.792 -1.087 -11.348 1.00 0.00 C ATOM 248 O CYS A 17 1.407 -1.114 -10.286 1.00 0.00 O ATOM 249 CB CYS A 17 2.336 -2.923 -12.194 1.00 0.00 C ATOM 250 SG CYS A 17 2.331 -4.433 -13.190 1.00 0.00 S ATOM 0 H CYS A 17 1.740 -0.407 -13.580 1.00 0.00 H new ATOM 0 HA CYS A 17 0.280 -2.773 -12.589 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.239 -2.349 -12.404 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.362 -3.183 -11.136 1.00 0.00 H new ATOM 0 HG CYS A 17 1.548 -4.274 -14.215 1.00 0.00 H new ATOM 256 N THR A 18 -0.191 -0.223 -11.587 1.00 0.00 N ATOM 257 CA THR A 18 -0.750 0.693 -10.612 1.00 0.00 C ATOM 258 C THR A 18 -2.223 0.348 -10.509 1.00 0.00 C ATOM 259 O THR A 18 -2.618 -0.341 -9.580 1.00 0.00 O ATOM 260 CB THR A 18 -0.528 2.133 -11.094 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.949 2.252 -12.445 1.00 0.00 O ATOM 262 CG2 THR A 18 0.957 2.473 -11.032 1.00 0.00 C ATOM 0 H THR A 18 -0.633 -0.143 -12.503 1.00 0.00 H new ATOM 0 HA THR A 18 -0.280 0.609 -9.632 1.00 0.00 H new ATOM 0 HB THR A 18 -1.098 2.808 -10.456 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.754 2.809 -12.489 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.111 3.496 -11.375 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.309 2.378 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.514 1.788 -11.672 1.00 0.00 H new ATOM 270 N SER A 19 -3.025 0.749 -11.493 1.00 0.00 N ATOM 271 CA SER A 19 -4.475 0.761 -11.374 1.00 0.00 C ATOM 272 C SER A 19 -5.071 -0.563 -10.914 1.00 0.00 C ATOM 273 O SER A 19 -5.888 -0.585 -9.994 1.00 0.00 O ATOM 274 CB SER A 19 -5.100 1.300 -12.667 1.00 0.00 C ATOM 275 OG SER A 19 -6.473 1.580 -12.485 1.00 0.00 O ATOM 0 H SER A 19 -2.683 1.075 -12.397 1.00 0.00 H new ATOM 0 HA SER A 19 -4.732 1.445 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.578 2.205 -12.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.977 0.570 -13.467 1.00 0.00 H new ATOM 0 HG SER A 19 -6.850 1.924 -13.322 1.00 0.00 H new ATOM 281 N THR A 20 -4.609 -1.670 -11.495 1.00 0.00 N ATOM 282 CA THR A 20 -4.935 -2.996 -11.003 1.00 0.00 C ATOM 283 C THR A 20 -4.721 -3.091 -9.489 1.00 0.00 C ATOM 284 O THR A 20 -5.639 -3.442 -8.749 1.00 0.00 O ATOM 285 CB THR A 20 -4.112 -4.029 -11.790 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.778 -4.302 -13.004 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.905 -5.323 -11.009 1.00 0.00 C ATOM 0 H THR A 20 -4.002 -1.667 -12.315 1.00 0.00 H new ATOM 0 HA THR A 20 -5.992 -3.207 -11.164 1.00 0.00 H new ATOM 0 HB THR A 20 -3.123 -3.609 -11.976 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.264 -4.959 -13.519 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.318 -6.020 -11.608 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.376 -5.107 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.873 -5.768 -10.779 1.00 0.00 H new ATOM 295 N ILE A 21 -3.506 -2.793 -9.031 1.00 0.00 N ATOM 296 CA ILE A 21 -3.155 -2.821 -7.630 1.00 0.00 C ATOM 297 C ILE A 21 -4.038 -1.838 -6.866 1.00 0.00 C ATOM 298 O ILE A 21 -4.621 -2.223 -5.864 1.00 0.00 O ATOM 299 CB ILE A 21 -1.640 -2.571 -7.487 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.861 -3.847 -7.849 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.220 -2.114 -6.089 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.416 -3.892 -9.310 1.00 0.00 C ATOM 0 H ILE A 21 -2.733 -2.523 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.345 -3.797 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.404 -1.758 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.017 -3.922 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.485 -4.716 -7.640 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.141 -1.958 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.727 -1.181 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.492 -2.877 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.128 -4.818 -9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.291 -3.848 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.233 -3.042 -9.519 1.00 0.00 H new ATOM 314 N GLU A 22 -4.168 -0.594 -7.325 1.00 0.00 N ATOM 315 CA GLU A 22 -4.869 0.459 -6.619 1.00 0.00 C ATOM 316 C GLU A 22 -6.322 0.047 -6.399 1.00 0.00 C ATOM 317 O GLU A 22 -6.780 -0.120 -5.275 1.00 0.00 O ATOM 318 CB GLU A 22 -4.733 1.761 -7.420 1.00 0.00 C ATOM 319 CG GLU A 22 -3.269 2.223 -7.401 1.00 0.00 C ATOM 320 CD GLU A 22 -3.032 3.448 -8.265 1.00 0.00 C ATOM 321 OE1 GLU A 22 -3.304 3.340 -9.480 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.549 4.450 -7.696 1.00 0.00 O ATOM 0 H GLU A 22 -3.778 -0.291 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.436 0.628 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.063 1.605 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.374 2.532 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.975 2.444 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.631 1.410 -7.747 1.00 0.00 H new ATOM 329 N GLY A 23 -7.028 -0.161 -7.500 1.00 0.00 N ATOM 330 CA GLY A 23 -8.375 -0.704 -7.554 1.00 0.00 C ATOM 331 C GLY A 23 -8.544 -1.935 -6.660 1.00 0.00 C ATOM 332 O GLY A 23 -9.414 -1.945 -5.789 1.00 0.00 O ATOM 0 H GLY A 23 -6.658 0.055 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.086 0.064 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.616 -0.970 -8.583 1.00 0.00 H new ATOM 336 N LYS A 24 -7.731 -2.978 -6.866 1.00 0.00 N ATOM 337 CA LYS A 24 -7.835 -4.216 -6.099 1.00 0.00 C ATOM 338 C LYS A 24 -7.684 -3.928 -4.606 1.00 0.00 C ATOM 339 O LYS A 24 -8.527 -4.306 -3.802 1.00 0.00 O ATOM 340 CB LYS A 24 -6.798 -5.232 -6.603 1.00 0.00 C ATOM 341 CG LYS A 24 -6.811 -6.572 -5.846 1.00 0.00 C ATOM 342 CD LYS A 24 -5.603 -6.688 -4.902 1.00 0.00 C ATOM 343 CE LYS A 24 -5.604 -8.038 -4.167 1.00 0.00 C ATOM 344 NZ LYS A 24 -4.387 -8.228 -3.347 1.00 0.00 N ATOM 0 H LYS A 24 -6.989 -2.984 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.822 -4.655 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.977 -5.423 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.804 -4.791 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.734 -6.660 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.799 -7.396 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.680 -6.581 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.625 -5.875 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.485 -8.101 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.680 -8.846 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.559 -8.967 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.597 -8.514 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.148 -7.336 -2.868 1.00 0.00 H new ATOM 358 N ILE A 25 -6.603 -3.263 -4.217 1.00 0.00 N ATOM 359 CA ILE A 25 -6.321 -2.910 -2.843 1.00 0.00 C ATOM 360 C ILE A 25 -7.416 -2.000 -2.276 1.00 0.00 C ATOM 361 O ILE A 25 -7.763 -2.108 -1.105 1.00 0.00 O ATOM 362 CB ILE A 25 -4.910 -2.303 -2.813 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.807 -3.306 -3.187 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.619 -1.534 -1.535 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.588 -4.340 -2.102 1.00 0.00 C ATOM 0 H ILE A 25 -5.884 -2.949 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.331 -3.781 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.897 -1.558 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.074 -3.808 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.876 -2.769 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.607 -1.130 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.332 -0.716 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.708 -2.203 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.800 -5.028 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.295 -3.841 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.511 -4.896 -1.937 1.00 0.00 H new ATOM 377 N GLY A 26 -8.026 -1.164 -3.115 1.00 0.00 N ATOM 378 CA GLY A 26 -9.171 -0.336 -2.777 1.00 0.00 C ATOM 379 C GLY A 26 -10.376 -1.132 -2.268 1.00 0.00 C ATOM 380 O GLY A 26 -11.265 -0.548 -1.653 1.00 0.00 O ATOM 0 H GLY A 26 -7.722 -1.044 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.875 0.385 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.469 0.234 -3.657 1.00 0.00 H new ATOM 384 N LYS A 27 -10.433 -2.448 -2.511 1.00 0.00 N ATOM 385 CA LYS A 27 -11.501 -3.298 -2.009 1.00 0.00 C ATOM 386 C LYS A 27 -11.190 -3.759 -0.580 1.00 0.00 C ATOM 387 O LYS A 27 -12.069 -4.316 0.075 1.00 0.00 O ATOM 388 CB LYS A 27 -11.688 -4.490 -2.966 1.00 0.00 C ATOM 389 CG LYS A 27 -12.905 -4.347 -3.890 1.00 0.00 C ATOM 390 CD LYS A 27 -14.138 -5.042 -3.290 1.00 0.00 C ATOM 391 CE LYS A 27 -15.224 -5.325 -4.340 1.00 0.00 C ATOM 392 NZ LYS A 27 -14.796 -6.328 -5.341 1.00 0.00 N ATOM 0 H LYS A 27 -9.735 -2.946 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.435 -2.737 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.791 -4.602 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.792 -5.403 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.121 -3.291 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.678 -4.779 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.832 -5.980 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.555 -4.417 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.126 -5.678 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.484 -4.397 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.630 -6.697 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.151 -5.883 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.306 -7.110 -4.861 1.00 0.00 H new ATOM 406 N LEU A 28 -9.952 -3.593 -0.102 1.00 0.00 N ATOM 407 CA LEU A 28 -9.523 -4.199 1.134 1.00 0.00 C ATOM 408 C LEU A 28 -10.107 -3.485 2.355 1.00 0.00 C ATOM 409 O LEU A 28 -10.153 -2.257 2.431 1.00 0.00 O ATOM 410 CB LEU A 28 -8.001 -4.193 1.231 1.00 0.00 C ATOM 411 CG LEU A 28 -7.213 -5.080 0.255 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.568 -6.208 1.044 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.020 -5.746 -0.853 1.00 0.00 C ATOM 0 H LEU A 28 -9.234 -3.037 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.890 -5.225 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.662 -3.166 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.730 -4.489 2.244 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.513 -4.399 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.003 -6.849 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.896 -5.790 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.342 -6.795 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.356 -6.345 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.782 -6.389 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.500 -4.981 -1.464 1.00 0.00 H new ATOM 425 N GLN A 29 -10.490 -4.282 3.350 1.00 0.00 N ATOM 426 CA GLN A 29 -11.012 -3.796 4.615 1.00 0.00 C ATOM 427 C GLN A 29 -9.986 -2.903 5.329 1.00 0.00 C ATOM 428 O GLN A 29 -8.916 -3.368 5.717 1.00 0.00 O ATOM 429 CB GLN A 29 -11.513 -4.979 5.451 1.00 0.00 C ATOM 430 CG GLN A 29 -10.367 -5.899 5.887 1.00 0.00 C ATOM 431 CD GLN A 29 -10.788 -7.349 6.124 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.921 -7.739 5.863 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.862 -8.176 6.596 1.00 0.00 N ATOM 0 H GLN A 29 -10.444 -5.299 3.294 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.873 -3.150 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.034 -4.605 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.237 -5.552 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.588 -5.878 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.927 -5.505 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.926 -7.828 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.086 -9.159 6.749 1.00 0.00 H new ATOM 442 N GLY A 30 -10.307 -1.615 5.482 1.00 0.00 N ATOM 443 CA GLY A 30 -9.483 -0.644 6.189 1.00 0.00 C ATOM 444 C GLY A 30 -8.965 0.454 5.269 1.00 0.00 C ATOM 445 O GLY A 30 -8.658 1.545 5.746 1.00 0.00 O ATOM 0 H GLY A 30 -11.167 -1.215 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.064 -0.196 6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.639 -1.155 6.652 1.00 0.00 H new ATOM 449 N VAL A 31 -8.860 0.183 3.965 1.00 0.00 N ATOM 450 CA VAL A 31 -8.301 1.126 3.019 1.00 0.00 C ATOM 451 C VAL A 31 -9.334 2.195 2.670 1.00 0.00 C ATOM 452 O VAL A 31 -10.509 1.896 2.468 1.00 0.00 O ATOM 453 CB VAL A 31 -7.774 0.341 1.807 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.761 1.170 0.524 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.350 -0.149 2.094 1.00 0.00 C ATOM 0 H VAL A 31 -9.162 -0.697 3.546 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.457 1.668 3.446 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.453 -0.497 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.379 0.563 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.774 1.498 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.120 2.041 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.977 -0.706 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.702 0.707 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.358 -0.797 2.970 1.00 0.00 H new ATOM 465 N GLN A 32 -8.871 3.447 2.608 1.00 0.00 N ATOM 466 CA GLN A 32 -9.658 4.608 2.223 1.00 0.00 C ATOM 467 C GLN A 32 -9.244 5.066 0.822 1.00 0.00 C ATOM 468 O GLN A 32 -10.085 5.301 -0.049 1.00 0.00 O ATOM 469 CB GLN A 32 -9.479 5.701 3.280 1.00 0.00 C ATOM 470 CG GLN A 32 -10.724 5.843 4.163 1.00 0.00 C ATOM 471 CD GLN A 32 -11.871 6.544 3.438 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.654 7.368 2.554 1.00 0.00 O ATOM 473 NE2 GLN A 32 -13.111 6.209 3.782 1.00 0.00 N ATOM 0 H GLN A 32 -7.904 3.681 2.833 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.719 4.362 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.616 5.467 3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.270 6.652 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.052 4.855 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.468 6.405 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.268 5.522 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.905 6.639 3.308 1.00 0.00 H new ATOM 482 N ARG A 33 -7.936 5.198 0.584 1.00 0.00 N ATOM 483 CA ARG A 33 -7.429 5.665 -0.698 1.00 0.00 C ATOM 484 C ARG A 33 -6.048 5.059 -0.937 1.00 0.00 C ATOM 485 O ARG A 33 -5.397 4.594 0.000 1.00 0.00 O ATOM 486 CB ARG A 33 -7.385 7.205 -0.693 1.00 0.00 C ATOM 487 CG ARG A 33 -7.585 7.873 -2.058 1.00 0.00 C ATOM 488 CD ARG A 33 -9.039 8.269 -2.348 1.00 0.00 C ATOM 489 NE ARG A 33 -9.911 7.111 -2.609 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.990 7.151 -3.410 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.474 8.332 -3.816 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.577 6.017 -3.808 1.00 0.00 N ATOM 0 H ARG A 33 -7.211 4.986 1.269 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.083 5.350 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.153 7.571 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.424 7.523 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.958 8.763 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.241 7.194 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.433 8.829 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.063 8.936 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.683 6.226 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.024 9.197 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.292 8.366 -4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.206 5.117 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.395 6.052 -4.416 1.00 0.00 H new ATOM 506 N ILE A 34 -5.603 5.071 -2.194 1.00 0.00 N ATOM 507 CA ILE A 34 -4.318 4.538 -2.596 1.00 0.00 C ATOM 508 C ILE A 34 -3.799 5.327 -3.801 1.00 0.00 C ATOM 509 O ILE A 34 -4.594 5.731 -4.648 1.00 0.00 O ATOM 510 CB ILE A 34 -4.440 3.024 -2.849 1.00 0.00 C ATOM 511 CG1 ILE A 34 -3.049 2.484 -3.197 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.465 2.672 -3.945 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.926 0.977 -2.979 1.00 0.00 C ATOM 0 H ILE A 34 -6.141 5.460 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.579 4.655 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.818 2.552 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.825 2.715 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.303 2.996 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.503 1.590 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.450 3.037 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.169 3.139 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.919 0.652 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.121 0.744 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.650 0.458 -3.607 1.00 0.00 H new ATOM 525 N LYS A 35 -2.490 5.605 -3.819 1.00 0.00 N ATOM 526 CA LYS A 35 -1.752 6.261 -4.890 1.00 0.00 C ATOM 527 C LYS A 35 -0.444 5.475 -5.092 1.00 0.00 C ATOM 528 O LYS A 35 0.487 5.646 -4.308 1.00 0.00 O ATOM 529 CB LYS A 35 -1.414 7.711 -4.488 1.00 0.00 C ATOM 530 CG LYS A 35 -2.530 8.753 -4.676 1.00 0.00 C ATOM 531 CD LYS A 35 -3.535 8.821 -3.514 1.00 0.00 C ATOM 532 CE LYS A 35 -4.433 10.065 -3.614 1.00 0.00 C ATOM 533 NZ LYS A 35 -3.741 11.308 -3.215 1.00 0.00 N ATOM 0 H LYS A 35 -1.886 5.360 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.346 6.283 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.118 7.714 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.547 8.032 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.076 9.735 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.070 8.528 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.154 7.924 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.996 8.836 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.791 10.167 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.310 9.925 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.399 12.110 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.407 11.220 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.929 11.470 -3.844 1.00 0.00 H new ATOM 547 N VAL A 36 -0.355 4.616 -6.110 1.00 0.00 N ATOM 548 CA VAL A 36 0.842 3.825 -6.407 1.00 0.00 C ATOM 549 C VAL A 36 1.631 4.510 -7.524 1.00 0.00 C ATOM 550 O VAL A 36 1.131 4.639 -8.638 1.00 0.00 O ATOM 551 CB VAL A 36 0.448 2.388 -6.792 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.644 1.518 -7.212 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.233 1.685 -5.613 1.00 0.00 C ATOM 0 H VAL A 36 -1.123 4.448 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 36 1.476 3.764 -5.522 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.225 2.492 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.294 0.518 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.133 1.966 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.354 1.452 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.505 0.670 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.452 1.649 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.131 2.235 -5.331 1.00 0.00 H new ATOM 563 N SER A 37 2.876 4.919 -7.254 1.00 0.00 N ATOM 564 CA SER A 37 3.734 5.551 -8.220 1.00 0.00 C ATOM 565 C SER A 37 4.687 4.504 -8.800 1.00 0.00 C ATOM 566 O SER A 37 5.803 4.309 -8.306 1.00 0.00 O ATOM 567 CB SER A 37 4.465 6.682 -7.502 1.00 0.00 C ATOM 568 OG SER A 37 3.690 7.865 -7.532 1.00 0.00 O ATOM 0 H SER A 37 3.308 4.811 -6.336 1.00 0.00 H new ATOM 0 HA SER A 37 3.179 5.971 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.665 6.397 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.430 6.859 -7.977 1.00 0.00 H new ATOM 0 HG SER A 37 4.169 8.582 -7.067 1.00 0.00 H new ATOM 574 N LEU A 38 4.266 3.870 -9.900 1.00 0.00 N ATOM 575 CA LEU A 38 5.193 3.163 -10.773 1.00 0.00 C ATOM 576 C LEU A 38 6.304 4.099 -11.238 1.00 0.00 C ATOM 577 O LEU A 38 6.280 5.298 -10.950 1.00 0.00 O ATOM 578 CB LEU A 38 4.455 2.533 -11.964 1.00 0.00 C ATOM 579 CG LEU A 38 4.546 1.002 -11.994 1.00 0.00 C ATOM 580 CD1 LEU A 38 5.938 0.530 -12.424 1.00 0.00 C ATOM 581 CD2 LEU A 38 4.156 0.317 -10.679 1.00 0.00 C ATOM 0 H LEU A 38 3.292 3.835 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 38 5.651 2.352 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.406 2.827 -11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.867 2.933 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 38 3.806 0.700 -12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.966 -0.560 -12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.158 0.908 -13.423 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.682 0.906 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.249 -0.763 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.816 0.658 -9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.125 0.568 -10.430 1.00 0.00 H new ATOM 593 N ASP A 39 7.318 3.515 -11.882 1.00 0.00 N ATOM 594 CA ASP A 39 8.600 4.088 -12.236 1.00 0.00 C ATOM 595 C ASP A 39 9.420 4.265 -10.966 1.00 0.00 C ATOM 596 O ASP A 39 10.523 3.742 -10.845 1.00 0.00 O ATOM 597 CB ASP A 39 8.465 5.427 -12.957 1.00 0.00 C ATOM 598 CG ASP A 39 7.655 5.401 -14.256 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.704 4.591 -14.367 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.990 6.222 -15.134 1.00 0.00 O ATOM 0 H ASP A 39 7.247 2.546 -12.191 1.00 0.00 H new ATOM 0 HA ASP A 39 9.096 3.407 -12.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.002 6.141 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.464 5.801 -13.180 1.00 0.00 H new ATOM 605 N ASN A 40 8.859 5.017 -10.017 1.00 0.00 N ATOM 606 CA ASN A 40 9.534 5.389 -8.793 1.00 0.00 C ATOM 607 C ASN A 40 9.728 4.181 -7.866 1.00 0.00 C ATOM 608 O ASN A 40 10.643 4.154 -7.045 1.00 0.00 O ATOM 609 CB ASN A 40 8.766 6.513 -8.080 1.00 0.00 C ATOM 610 CG ASN A 40 9.684 7.683 -7.751 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.238 7.767 -6.661 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.844 8.609 -8.693 1.00 0.00 N ATOM 0 H ASN A 40 7.910 5.385 -10.087 1.00 0.00 H new ATOM 0 HA ASN A 40 10.526 5.758 -9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.947 6.856 -8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.320 6.128 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.441 9.417 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.369 8.511 -9.590 1.00 0.00 H new ATOM 619 N GLN A 41 8.833 3.190 -7.995 1.00 0.00 N ATOM 620 CA GLN A 41 8.763 1.953 -7.204 1.00 0.00 C ATOM 621 C GLN A 41 8.325 2.221 -5.769 1.00 0.00 C ATOM 622 O GLN A 41 8.549 1.420 -4.863 1.00 0.00 O ATOM 623 CB GLN A 41 10.077 1.179 -7.239 1.00 0.00 C ATOM 624 CG GLN A 41 10.578 1.104 -8.669 1.00 0.00 C ATOM 625 CD GLN A 41 11.792 0.189 -8.786 1.00 0.00 C ATOM 626 OE1 GLN A 41 11.671 -0.989 -9.112 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.983 0.728 -8.527 1.00 0.00 N ATOM 0 H GLN A 41 8.094 3.234 -8.697 1.00 0.00 H new ATOM 0 HA GLN A 41 8.001 1.328 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.818 1.669 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.932 0.175 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.781 0.738 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.839 2.103 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.051 1.710 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.827 0.159 -8.597 1.00 0.00 H new ATOM 636 N GLU A 42 7.689 3.370 -5.594 1.00 0.00 N ATOM 637 CA GLU A 42 7.169 3.876 -4.329 1.00 0.00 C ATOM 638 C GLU A 42 5.640 3.949 -4.433 1.00 0.00 C ATOM 639 O GLU A 42 5.102 4.256 -5.496 1.00 0.00 O ATOM 640 CB GLU A 42 7.796 5.251 -4.054 1.00 0.00 C ATOM 641 CG GLU A 42 7.624 5.727 -2.599 1.00 0.00 C ATOM 642 CD GLU A 42 8.776 5.342 -1.670 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.406 4.292 -1.912 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.002 6.122 -0.717 1.00 0.00 O ATOM 0 H GLU A 42 7.512 4.008 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 42 7.424 3.220 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.859 5.210 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.348 5.986 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.516 6.812 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.698 5.313 -2.201 1.00 0.00 H new ATOM 651 N ALA A 43 4.920 3.684 -3.343 1.00 0.00 N ATOM 652 CA ALA A 43 3.475 3.862 -3.297 1.00 0.00 C ATOM 653 C ALA A 43 3.067 4.476 -1.964 1.00 0.00 C ATOM 654 O ALA A 43 3.779 4.347 -0.968 1.00 0.00 O ATOM 655 CB ALA A 43 2.773 2.534 -3.549 1.00 0.00 C ATOM 0 H ALA A 43 5.324 3.341 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 43 3.169 4.549 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.693 2.680 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.054 2.154 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.068 1.816 -2.784 1.00 0.00 H new ATOM 661 N THR A 44 1.913 5.141 -1.965 1.00 0.00 N ATOM 662 CA THR A 44 1.350 5.862 -0.848 1.00 0.00 C ATOM 663 C THR A 44 -0.062 5.321 -0.646 1.00 0.00 C ATOM 664 O THR A 44 -0.901 5.475 -1.534 1.00 0.00 O ATOM 665 CB THR A 44 1.374 7.368 -1.162 1.00 0.00 C ATOM 666 OG1 THR A 44 2.683 7.863 -0.944 1.00 0.00 O ATOM 667 CG2 THR A 44 0.397 8.157 -0.287 1.00 0.00 C ATOM 0 H THR A 44 1.322 5.188 -2.795 1.00 0.00 H new ATOM 0 HA THR A 44 1.917 5.726 0.073 1.00 0.00 H new ATOM 0 HB THR A 44 1.072 7.495 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.707 8.822 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.450 9.215 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.617 7.793 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.661 8.026 0.762 1.00 0.00 H new ATOM 675 N ILE A 45 -0.331 4.674 0.490 1.00 0.00 N ATOM 676 CA ILE A 45 -1.665 4.174 0.818 1.00 0.00 C ATOM 677 C ILE A 45 -2.242 5.048 1.938 1.00 0.00 C ATOM 678 O ILE A 45 -1.466 5.632 2.694 1.00 0.00 O ATOM 679 CB ILE A 45 -1.632 2.688 1.194 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.899 1.897 0.103 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.077 2.157 1.300 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.513 0.519 0.607 1.00 0.00 C ATOM 0 H ILE A 45 0.369 4.483 1.206 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.314 4.241 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.117 2.570 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.537 1.803 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.006 2.439 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.058 1.100 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.615 2.715 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.581 2.280 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.006 -0.025 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.144 0.618 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.411 -0.028 0.895 1.00 0.00 H new ATOM 694 N VAL A 46 -3.573 5.138 2.064 1.00 0.00 N ATOM 695 CA VAL A 46 -4.231 5.740 3.216 1.00 0.00 C ATOM 696 C VAL A 46 -5.288 4.770 3.779 1.00 0.00 C ATOM 697 O VAL A 46 -6.180 4.319 3.053 1.00 0.00 O ATOM 698 CB VAL A 46 -4.703 7.167 2.894 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.137 7.195 2.430 1.00 0.00 C ATOM 700 CG2 VAL A 46 -4.608 8.087 4.104 1.00 0.00 C ATOM 0 H VAL A 46 -4.223 4.790 1.359 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.530 5.888 4.038 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.041 7.515 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.429 8.222 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.240 6.591 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.780 6.792 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.952 9.085 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.232 7.696 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.573 8.140 4.441 1.00 0.00 H new ATOM 710 N TYR A 47 -5.149 4.413 5.063 1.00 0.00 N ATOM 711 CA TYR A 47 -5.994 3.461 5.787 1.00 0.00 C ATOM 712 C TYR A 47 -5.909 3.763 7.284 1.00 0.00 C ATOM 713 O TYR A 47 -5.131 4.639 7.658 1.00 0.00 O ATOM 714 CB TYR A 47 -5.533 2.027 5.497 1.00 0.00 C ATOM 715 CG TYR A 47 -4.126 1.676 5.928 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.826 1.439 7.281 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.169 1.380 4.945 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.574 0.934 7.651 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.955 0.786 5.306 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.663 0.554 6.656 1.00 0.00 C ATOM 721 OH TYR A 47 -0.470 0.001 6.985 1.00 0.00 O ATOM 0 H TYR A 47 -4.410 4.799 5.650 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.029 3.558 5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.223 1.340 5.987 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.616 1.851 4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.566 1.648 8.039 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.370 1.611 3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.312 0.838 8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.243 0.506 4.544 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.551 -0.976 6.986 1.00 0.00 H new ATOM 731 N GLN A 48 -6.642 3.039 8.146 1.00 0.00 N ATOM 732 CA GLN A 48 -6.471 3.095 9.586 1.00 0.00 C ATOM 733 C GLN A 48 -6.199 1.703 10.182 1.00 0.00 C ATOM 734 O GLN A 48 -6.874 0.742 9.802 1.00 0.00 O ATOM 735 CB GLN A 48 -7.676 3.840 10.191 1.00 0.00 C ATOM 736 CG GLN A 48 -8.032 3.338 11.589 1.00 0.00 C ATOM 737 CD GLN A 48 -8.803 4.341 12.443 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.448 5.254 11.940 1.00 0.00 O ATOM 739 NE2 GLN A 48 -8.745 4.172 13.761 1.00 0.00 N ATOM 0 H GLN A 48 -7.375 2.395 7.848 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.578 3.663 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.454 4.906 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.539 3.722 9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.625 2.428 11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.113 3.067 12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.201 3.404 14.153 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.245 4.811 14.380 1.00 0.00 H new ATOM 748 N PRO A 49 -5.236 1.584 11.127 1.00 0.00 N ATOM 749 CA PRO A 49 -4.973 0.363 11.877 1.00 0.00 C ATOM 750 C PRO A 49 -6.130 0.066 12.831 1.00 0.00 C ATOM 751 O PRO A 49 -6.023 0.228 14.045 1.00 0.00 O ATOM 752 CB PRO A 49 -3.667 0.608 12.637 1.00 0.00 C ATOM 753 CG PRO A 49 -3.660 2.117 12.852 1.00 0.00 C ATOM 754 CD PRO A 49 -4.335 2.642 11.586 1.00 0.00 C ATOM 0 HA PRO A 49 -4.882 -0.504 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.645 0.067 13.583 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.801 0.280 12.063 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.209 2.400 13.750 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.647 2.505 12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.887 3.559 11.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.595 2.880 10.822 1.00 0.00 H new ATOM 762 N HIS A 50 -7.247 -0.373 12.259 1.00 0.00 N ATOM 763 CA HIS A 50 -8.398 -0.886 12.975 1.00 0.00 C ATOM 764 C HIS A 50 -8.856 -2.152 12.261 1.00 0.00 C ATOM 765 O HIS A 50 -9.021 -3.195 12.888 1.00 0.00 O ATOM 766 CB HIS A 50 -9.490 0.191 13.022 1.00 0.00 C ATOM 767 CG HIS A 50 -10.740 -0.193 13.773 1.00 0.00 C ATOM 768 ND1 HIS A 50 -11.987 0.357 13.572 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.838 -1.062 14.829 1.00 0.00 C ATOM 770 CE1 HIS A 50 -12.818 -0.180 14.481 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.165 -1.049 15.268 1.00 0.00 N ATOM 0 H HIS A 50 -7.375 -0.379 11.247 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.156 -1.136 14.008 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.073 1.089 13.478 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.765 0.451 12.000 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.034 -1.651 15.246 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.868 0.056 14.567 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.559 -1.593 16.035 1.00 0.00 H new ATOM 779 N LEU A 51 -9.032 -2.057 10.940 1.00 0.00 N ATOM 780 CA LEU A 51 -9.429 -3.185 10.112 1.00 0.00 C ATOM 781 C LEU A 51 -8.217 -3.897 9.502 1.00 0.00 C ATOM 782 O LEU A 51 -8.370 -5.035 9.062 1.00 0.00 O ATOM 783 CB LEU A 51 -10.416 -2.722 9.036 1.00 0.00 C ATOM 784 CG LEU A 51 -11.758 -2.284 9.647 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.532 -1.414 8.652 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.632 -3.478 10.056 1.00 0.00 C ATOM 0 H LEU A 51 -8.901 -1.190 10.419 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.930 -3.917 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.983 -1.893 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.586 -3.531 8.326 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.525 -1.714 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.480 -1.110 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.944 -0.529 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.723 -1.984 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.568 -3.115 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.845 -4.090 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.105 -4.078 10.798 1.00 0.00 H new ATOM 798 N ILE A 52 -7.029 -3.267 9.462 1.00 0.00 N ATOM 799 CA ILE A 52 -5.833 -3.875 8.919 1.00 0.00 C ATOM 800 C ILE A 52 -4.751 -3.960 9.992 1.00 0.00 C ATOM 801 O ILE A 52 -4.677 -3.095 10.863 1.00 0.00 O ATOM 802 CB ILE A 52 -5.403 -3.114 7.666 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.326 -3.865 6.880 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.910 -1.719 8.013 1.00 0.00 C ATOM 805 CD1 ILE A 52 -4.873 -5.187 6.343 1.00 0.00 C ATOM 0 H ILE A 52 -6.887 -2.319 9.810 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.028 -4.902 8.612 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.287 -3.030 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.975 -3.248 6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.466 -4.055 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.611 -1.202 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.709 -1.162 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.055 -1.792 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.091 -5.705 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.201 -5.810 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.718 -4.990 5.683 1.00 0.00 H new ATOM 817 N SER A 53 -3.876 -4.965 9.898 1.00 0.00 N ATOM 818 CA SER A 53 -2.829 -5.218 10.880 1.00 0.00 C ATOM 819 C SER A 53 -1.576 -4.375 10.656 1.00 0.00 C ATOM 820 O SER A 53 -0.493 -4.730 11.114 1.00 0.00 O ATOM 821 CB SER A 53 -2.498 -6.703 10.917 1.00 0.00 C ATOM 822 OG SER A 53 -3.661 -7.450 11.210 1.00 0.00 O ATOM 0 H SER A 53 -3.879 -5.632 9.126 1.00 0.00 H new ATOM 0 HA SER A 53 -3.219 -4.913 11.851 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.087 -7.016 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.733 -6.895 11.670 1.00 0.00 H new ATOM 0 HG SER A 53 -3.440 -8.405 11.230 1.00 0.00 H new ATOM 828 N VAL A 54 -1.723 -3.280 9.913 1.00 0.00 N ATOM 829 CA VAL A 54 -0.704 -2.342 9.497 1.00 0.00 C ATOM 830 C VAL A 54 0.200 -2.997 8.460 1.00 0.00 C ATOM 831 O VAL A 54 0.244 -2.584 7.306 1.00 0.00 O ATOM 832 CB VAL A 54 -0.020 -1.670 10.710 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.498 -1.853 10.777 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.303 -0.168 10.671 1.00 0.00 C ATOM 0 H VAL A 54 -2.641 -3.011 9.560 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.142 -1.489 8.978 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.438 -2.161 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.887 -1.347 11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.734 -2.916 10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.956 -1.427 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.176 0.315 11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.092 0.253 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.379 0.001 10.716 1.00 0.00 H new ATOM 844 N GLU A 55 0.881 -4.061 8.852 1.00 0.00 N ATOM 845 CA GLU A 55 1.813 -4.729 7.974 1.00 0.00 C ATOM 846 C GLU A 55 1.046 -5.445 6.865 1.00 0.00 C ATOM 847 O GLU A 55 1.498 -5.470 5.716 1.00 0.00 O ATOM 848 CB GLU A 55 2.711 -5.684 8.764 1.00 0.00 C ATOM 849 CG GLU A 55 4.146 -5.552 8.225 1.00 0.00 C ATOM 850 CD GLU A 55 5.065 -6.718 8.546 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.556 -7.798 8.916 1.00 0.00 O ATOM 852 OE2 GLU A 55 6.255 -6.622 8.192 1.00 0.00 O ATOM 0 H GLU A 55 0.801 -4.479 9.779 1.00 0.00 H new ATOM 0 HA GLU A 55 2.468 -3.992 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.680 -5.443 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.359 -6.710 8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.101 -5.432 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.587 -4.640 8.629 1.00 0.00 H new ATOM 859 N GLU A 56 -0.112 -6.027 7.220 1.00 0.00 N ATOM 860 CA GLU A 56 -0.857 -6.867 6.302 1.00 0.00 C ATOM 861 C GLU A 56 -1.049 -6.186 4.957 1.00 0.00 C ATOM 862 O GLU A 56 -0.775 -6.789 3.925 1.00 0.00 O ATOM 863 CB GLU A 56 -2.200 -7.268 6.914 1.00 0.00 C ATOM 864 CG GLU A 56 -2.076 -8.579 7.695 1.00 0.00 C ATOM 865 CD GLU A 56 -1.672 -9.730 6.778 1.00 0.00 C ATOM 866 OE1 GLU A 56 -2.453 -10.005 5.843 1.00 0.00 O ATOM 867 OE2 GLU A 56 -0.563 -10.264 6.995 1.00 0.00 O ATOM 0 H GLU A 56 -0.542 -5.924 8.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.276 -7.773 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.553 -6.478 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.945 -7.379 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.336 -8.465 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.026 -8.810 8.176 1.00 0.00 H new ATOM 874 N MET A 57 -1.475 -4.920 4.966 1.00 0.00 N ATOM 875 CA MET A 57 -1.652 -4.138 3.765 1.00 0.00 C ATOM 876 C MET A 57 -0.526 -4.356 2.748 1.00 0.00 C ATOM 877 O MET A 57 -0.785 -4.705 1.600 1.00 0.00 O ATOM 878 CB MET A 57 -1.828 -2.668 4.160 1.00 0.00 C ATOM 879 CG MET A 57 -3.153 -2.141 3.617 1.00 0.00 C ATOM 880 SD MET A 57 -3.269 -2.112 1.817 1.00 0.00 S ATOM 881 CE MET A 57 -4.519 -3.399 1.620 1.00 0.00 C ATOM 0 H MET A 57 -1.706 -4.415 5.822 1.00 0.00 H new ATOM 0 HA MET A 57 -2.552 -4.472 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.804 -2.568 5.245 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.002 -2.075 3.767 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.962 -2.756 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.309 -1.130 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.151 -4.161 0.933 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.729 -3.854 2.588 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.433 -2.960 1.219 1.00 0.00 H new ATOM 891 N LYS A 58 0.726 -4.212 3.183 1.00 0.00 N ATOM 892 CA LYS A 58 1.870 -4.454 2.321 1.00 0.00 C ATOM 893 C LYS A 58 2.015 -5.945 2.013 1.00 0.00 C ATOM 894 O LYS A 58 2.259 -6.316 0.866 1.00 0.00 O ATOM 895 CB LYS A 58 3.126 -3.852 2.962 1.00 0.00 C ATOM 896 CG LYS A 58 4.379 -4.050 2.095 1.00 0.00 C ATOM 897 CD LYS A 58 5.238 -5.257 2.495 1.00 0.00 C ATOM 898 CE LYS A 58 5.958 -5.166 3.848 1.00 0.00 C ATOM 899 NZ LYS A 58 7.086 -6.122 3.928 1.00 0.00 N ATOM 0 H LYS A 58 0.968 -3.928 4.132 1.00 0.00 H new ATOM 0 HA LYS A 58 1.720 -3.961 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.969 -2.787 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.287 -4.309 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.073 -4.165 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.991 -3.149 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.600 -6.141 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.987 -5.415 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.328 -4.152 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.251 -5.368 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.550 -6.034 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.728 -7.091 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.773 -5.913 3.175 1.00 0.00 H new ATOM 913 N LYS A 59 1.888 -6.814 3.016 1.00 0.00 N ATOM 914 CA LYS A 59 2.011 -8.249 2.790 1.00 0.00 C ATOM 915 C LYS A 59 1.060 -8.759 1.710 1.00 0.00 C ATOM 916 O LYS A 59 1.408 -9.673 0.968 1.00 0.00 O ATOM 917 CB LYS A 59 1.837 -9.024 4.091 1.00 0.00 C ATOM 918 CG LYS A 59 2.850 -8.630 5.171 1.00 0.00 C ATOM 919 CD LYS A 59 4.305 -8.619 4.652 1.00 0.00 C ATOM 920 CE LYS A 59 5.330 -8.406 5.773 1.00 0.00 C ATOM 921 NZ LYS A 59 5.153 -9.286 6.948 1.00 0.00 N ATOM 0 H LYS A 59 1.702 -6.550 3.983 1.00 0.00 H new ATOM 0 HA LYS A 59 3.021 -8.423 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.829 -8.860 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.931 -10.090 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.599 -7.641 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.772 -9.326 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.514 -9.563 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.416 -7.829 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.330 -8.562 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.278 -7.368 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.077 -9.464 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.523 -8.825 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.734 -10.189 6.646 1.00 0.00 H new ATOM 935 N GLN A 60 -0.120 -8.152 1.573 1.00 0.00 N ATOM 936 CA GLN A 60 -1.087 -8.545 0.568 1.00 0.00 C ATOM 937 C GLN A 60 -0.508 -8.287 -0.815 1.00 0.00 C ATOM 938 O GLN A 60 -0.721 -9.070 -1.734 1.00 0.00 O ATOM 939 CB GLN A 60 -2.381 -7.760 0.768 1.00 0.00 C ATOM 940 CG GLN A 60 -2.883 -7.871 2.212 1.00 0.00 C ATOM 941 CD GLN A 60 -4.236 -8.558 2.352 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.171 -7.993 2.907 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.359 -9.782 1.849 1.00 0.00 N ATOM 0 H GLN A 60 -0.424 -7.375 2.160 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.310 -9.608 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.215 -6.712 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.145 -8.134 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.147 -8.420 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.950 -6.871 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.563 -10.228 1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.249 -10.275 1.920 1.00 0.00 H new ATOM 952 N ILE A 61 0.226 -7.183 -0.948 1.00 0.00 N ATOM 953 CA ILE A 61 1.019 -6.908 -2.145 1.00 0.00 C ATOM 954 C ILE A 61 2.135 -7.947 -2.313 1.00 0.00 C ATOM 955 O ILE A 61 2.239 -8.527 -3.393 1.00 0.00 O ATOM 956 CB ILE A 61 1.517 -5.452 -2.190 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.386 -4.479 -2.575 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.618 -5.264 -3.242 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.321 -3.922 -1.348 1.00 0.00 C ATOM 0 H ILE A 61 0.288 -6.458 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 61 0.369 -7.011 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 61 1.893 -5.240 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.797 -3.658 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.336 -4.993 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.945 -4.224 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.463 -5.909 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.229 -5.525 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.112 -3.240 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.755 -4.741 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.396 -3.385 -0.727 1.00 0.00 H new ATOM 971 N GLU A 62 2.949 -8.209 -1.281 1.00 0.00 N ATOM 972 CA GLU A 62 4.058 -9.164 -1.392 1.00 0.00 C ATOM 973 C GLU A 62 3.533 -10.489 -1.937 1.00 0.00 C ATOM 974 O GLU A 62 4.082 -11.070 -2.870 1.00 0.00 O ATOM 975 CB GLU A 62 4.722 -9.410 -0.038 1.00 0.00 C ATOM 976 CG GLU A 62 5.224 -8.079 0.502 1.00 0.00 C ATOM 977 CD GLU A 62 6.500 -8.249 1.293 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.536 -8.376 0.612 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.423 -8.196 2.542 1.00 0.00 O ATOM 0 H GLU A 62 2.860 -7.774 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 62 4.801 -8.741 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.011 -9.857 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.549 -10.112 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.397 -7.391 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.459 -7.630 1.135 1.00 0.00 H new ATOM 986 N ALA A 63 2.422 -10.925 -1.346 1.00 0.00 N ATOM 987 CA ALA A 63 1.721 -12.154 -1.655 1.00 0.00 C ATOM 988 C ALA A 63 1.264 -12.248 -3.115 1.00 0.00 C ATOM 989 O ALA A 63 1.030 -13.352 -3.598 1.00 0.00 O ATOM 990 CB ALA A 63 0.541 -12.283 -0.692 1.00 0.00 C ATOM 0 H ALA A 63 1.969 -10.397 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 63 2.414 -12.985 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.004 -13.203 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.909 -12.309 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.125 -11.429 -0.817 1.00 0.00 H new ATOM 996 N MET A 64 1.132 -11.126 -3.836 1.00 0.00 N ATOM 997 CA MET A 64 0.882 -11.172 -5.273 1.00 0.00 C ATOM 998 C MET A 64 2.087 -11.777 -5.999 1.00 0.00 C ATOM 999 O MET A 64 1.921 -12.428 -7.028 1.00 0.00 O ATOM 1000 CB MET A 64 0.561 -9.778 -5.822 1.00 0.00 C ATOM 1001 CG MET A 64 -0.585 -9.036 -5.115 1.00 0.00 C ATOM 1002 SD MET A 64 -2.284 -9.664 -5.265 1.00 0.00 S ATOM 1003 CE MET A 64 -2.383 -10.948 -3.993 1.00 0.00 C ATOM 0 H MET A 64 1.194 -10.185 -3.447 1.00 0.00 H new ATOM 0 HA MET A 64 0.013 -11.806 -5.450 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.461 -9.166 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.313 -9.871 -6.879 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.343 -8.998 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.583 -8.009 -5.479 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.401 -11.929 -4.467 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.515 -10.878 -3.337 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.292 -10.811 -3.408 1.00 0.00 H new ATOM 1013 N GLY A 65 3.296 -11.558 -5.469 1.00 0.00 N ATOM 1014 CA GLY A 65 4.523 -12.168 -5.964 1.00 0.00 C ATOM 1015 C GLY A 65 5.701 -11.204 -5.863 1.00 0.00 C ATOM 1016 O GLY A 65 6.828 -11.613 -5.594 1.00 0.00 O ATOM 0 H GLY A 65 3.445 -10.941 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.739 -13.071 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.387 -12.472 -7.002 1.00 0.00 H new ATOM 1020 N PHE A 66 5.448 -9.918 -6.110 1.00 0.00 N ATOM 1021 CA PHE A 66 6.481 -8.896 -6.151 1.00 0.00 C ATOM 1022 C PHE A 66 6.904 -8.562 -4.719 1.00 0.00 C ATOM 1023 O PHE A 66 6.063 -8.062 -3.975 1.00 0.00 O ATOM 1024 CB PHE A 66 5.927 -7.649 -6.840 1.00 0.00 C ATOM 1025 CG PHE A 66 5.622 -7.883 -8.303 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.674 -7.845 -9.232 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.343 -8.300 -8.715 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.442 -8.168 -10.576 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.102 -8.598 -10.067 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.149 -8.524 -11.002 1.00 0.00 C ATOM 0 H PHE A 66 4.510 -9.559 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 66 7.346 -9.255 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.019 -7.329 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.648 -6.836 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.666 -7.566 -8.910 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.546 -8.391 -7.992 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.256 -8.144 -11.285 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.111 -8.884 -10.388 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.962 -8.740 -12.044 1.00 0.00 H new ATOM 1040 N PRO A 67 8.159 -8.810 -4.311 1.00 0.00 N ATOM 1041 CA PRO A 67 8.597 -8.543 -2.949 1.00 0.00 C ATOM 1042 C PRO A 67 8.497 -7.039 -2.688 1.00 0.00 C ATOM 1043 O PRO A 67 9.115 -6.255 -3.407 1.00 0.00 O ATOM 1044 CB PRO A 67 10.039 -9.058 -2.875 1.00 0.00 C ATOM 1045 CG PRO A 67 10.532 -8.964 -4.321 1.00 0.00 C ATOM 1046 CD PRO A 67 9.272 -9.247 -5.139 1.00 0.00 C ATOM 0 HA PRO A 67 7.989 -9.034 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.647 -8.451 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.080 -10.082 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.943 -7.979 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.317 -9.691 -4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.291 -8.708 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.190 -10.307 -5.377 1.00 0.00 H new ATOM 1054 N ALA A 68 7.699 -6.636 -1.695 1.00 0.00 N ATOM 1055 CA ALA A 68 7.457 -5.229 -1.411 1.00 0.00 C ATOM 1056 C ALA A 68 8.024 -4.884 -0.036 1.00 0.00 C ATOM 1057 O ALA A 68 8.734 -5.669 0.587 1.00 0.00 O ATOM 1058 CB ALA A 68 5.961 -4.930 -1.561 1.00 0.00 C ATOM 0 H ALA A 68 7.207 -7.276 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 68 7.972 -4.587 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.777 -3.877 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.645 -5.155 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.395 -5.545 -0.861 1.00 0.00 H new ATOM 1064 N PHE A 69 7.719 -3.693 0.469 1.00 0.00 N ATOM 1065 CA PHE A 69 8.254 -3.226 1.737 1.00 0.00 C ATOM 1066 C PHE A 69 7.421 -2.088 2.281 1.00 0.00 C ATOM 1067 O PHE A 69 6.754 -1.393 1.525 1.00 0.00 O ATOM 1068 CB PHE A 69 9.742 -2.856 1.646 1.00 0.00 C ATOM 1069 CG PHE A 69 10.579 -3.541 2.707 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.685 -2.992 4.000 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.176 -4.783 2.426 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.389 -3.683 5.001 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.894 -5.465 3.422 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.000 -4.916 4.712 1.00 0.00 C ATOM 0 H PHE A 69 7.096 -3.028 0.010 1.00 0.00 H new ATOM 0 HA PHE A 69 8.193 -4.055 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.120 -3.126 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.851 -1.776 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.225 -2.040 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.082 -5.214 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.461 -3.266 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.364 -6.411 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.550 -5.440 5.480 1.00 0.00 H new ATOM 1084 N VAL A 70 7.428 -1.944 3.603 1.00 0.00 N ATOM 1085 CA VAL A 70 6.601 -1.003 4.322 1.00 0.00 C ATOM 1086 C VAL A 70 7.512 -0.249 5.278 1.00 0.00 C ATOM 1087 O VAL A 70 8.359 -0.859 5.929 1.00 0.00 O ATOM 1088 CB VAL A 70 5.404 -1.712 4.962 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.797 -2.401 6.251 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.256 -0.749 5.226 1.00 0.00 C ATOM 0 H VAL A 70 8.029 -2.498 4.213 1.00 0.00 H new ATOM 0 HA VAL A 70 6.136 -0.266 3.668 1.00 0.00 H new ATOM 0 HB VAL A 70 5.067 -2.464 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.925 -2.895 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.570 -3.142 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.180 -1.663 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.425 -1.289 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.590 0.039 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.929 -0.306 4.285 1.00 0.00 H new ATOM 1100 N LYS A 71 7.390 1.076 5.286 1.00 0.00 N ATOM 1101 CA LYS A 71 8.071 1.914 6.261 1.00 0.00 C ATOM 1102 C LYS A 71 7.248 1.967 7.556 1.00 0.00 C ATOM 1103 O LYS A 71 6.893 0.918 8.088 1.00 0.00 O ATOM 1104 CB LYS A 71 8.409 3.279 5.647 1.00 0.00 C ATOM 1105 CG LYS A 71 9.259 3.078 4.382 1.00 0.00 C ATOM 1106 CD LYS A 71 10.248 4.227 4.138 1.00 0.00 C ATOM 1107 CE LYS A 71 11.439 4.169 5.113 1.00 0.00 C ATOM 1108 NZ LYS A 71 12.479 5.167 4.788 1.00 0.00 N ATOM 0 H LYS A 71 6.818 1.594 4.619 1.00 0.00 H new ATOM 0 HA LYS A 71 9.034 1.486 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.493 3.815 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.951 3.890 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.811 2.142 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.600 2.983 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.614 4.180 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.732 5.181 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.082 4.337 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.876 3.171 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.260 5.090 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.840 4.992 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.070 6.122 4.836 1.00 0.00 H new ATOM 1122 N LYS A 72 6.940 3.162 8.073 1.00 0.00 N ATOM 1123 CA LYS A 72 6.178 3.328 9.305 1.00 0.00 C ATOM 1124 C LYS A 72 4.788 3.867 8.993 1.00 0.00 C ATOM 1125 O LYS A 72 4.617 4.673 8.083 1.00 0.00 O ATOM 1126 CB LYS A 72 6.913 4.243 10.295 1.00 0.00 C ATOM 1127 CG LYS A 72 7.186 5.658 9.756 1.00 0.00 C ATOM 1128 CD LYS A 72 6.705 6.790 10.683 1.00 0.00 C ATOM 1129 CE LYS A 72 5.196 7.094 10.608 1.00 0.00 C ATOM 1130 NZ LYS A 72 4.365 6.221 11.467 1.00 0.00 N ATOM 0 H LYS A 72 7.217 4.044 7.641 1.00 0.00 H new ATOM 0 HA LYS A 72 6.074 2.352 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.323 4.321 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.861 3.780 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.257 5.771 9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.699 5.766 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.958 6.530 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.256 7.698 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.030 8.133 10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.866 6.991 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.711 5.672 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.979 5.571 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.821 6.806 12.133 1.00 0.00 H new ATOM 1144 N ILE A 73 3.808 3.455 9.796 1.00 0.00 N ATOM 1145 CA ILE A 73 2.410 3.804 9.631 1.00 0.00 C ATOM 1146 C ILE A 73 1.744 3.636 10.989 1.00 0.00 C ATOM 1147 O ILE A 73 1.896 2.589 11.610 1.00 0.00 O ATOM 1148 CB ILE A 73 1.781 2.955 8.524 1.00 0.00 C ATOM 1149 CG1 ILE A 73 0.246 2.999 8.505 1.00 0.00 C ATOM 1150 CG2 ILE A 73 2.291 1.514 8.605 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -0.323 4.402 8.292 1.00 0.00 C ATOM 0 H ILE A 73 3.977 2.852 10.601 1.00 0.00 H new ATOM 0 HA ILE A 73 2.279 4.837 9.309 1.00 0.00 H new ATOM 0 HB ILE A 73 2.097 3.398 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.118 2.344 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.132 2.602 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.835 0.922 7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.375 1.504 8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.027 1.088 9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.412 4.356 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.011 5.056 9.097 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.026 4.795 7.337 1.00 0.00 H new ATOM 1163 N GLU A 74 1.083 4.682 11.482 1.00 0.00 N ATOM 1164 CA GLU A 74 0.266 4.612 12.677 1.00 0.00 C ATOM 1165 C GLU A 74 -0.738 5.755 12.589 1.00 0.00 C ATOM 1166 O GLU A 74 -0.480 6.733 11.887 1.00 0.00 O ATOM 1167 CB GLU A 74 1.144 4.680 13.933 1.00 0.00 C ATOM 1168 CG GLU A 74 0.333 4.399 15.205 1.00 0.00 C ATOM 1169 CD GLU A 74 1.217 4.191 16.428 1.00 0.00 C ATOM 1170 OE1 GLU A 74 2.403 4.577 16.346 1.00 0.00 O ATOM 1171 OE2 GLU A 74 0.678 3.646 17.417 1.00 0.00 O ATOM 0 H GLU A 74 1.104 5.608 11.054 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.270 3.666 12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.955 3.956 13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.603 5.666 14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.347 5.231 15.390 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.282 3.513 15.051 1.00 0.00 H new ATOM 1178 N GLY A 75 -1.876 5.594 13.261 1.00 0.00 N ATOM 1179 CA GLY A 75 -2.985 6.530 13.280 1.00 0.00 C ATOM 1180 C GLY A 75 -3.980 6.018 14.307 1.00 0.00 C ATOM 1181 O GLY A 75 -4.981 5.400 13.947 1.00 0.00 O ATOM 0 H GLY A 75 -2.053 4.767 13.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.641 7.531 13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.448 6.600 12.296 1.00 0.00 H new ATOM 1185 N ARG A 76 -3.635 6.213 15.577 1.00 0.00 N ATOM 1186 CA ARG A 76 -4.457 5.866 16.719 1.00 0.00 C ATOM 1187 C ARG A 76 -5.034 7.149 17.310 1.00 0.00 C ATOM 1188 O ARG A 76 -5.987 7.021 18.107 1.00 0.00 O ATOM 1189 CB ARG A 76 -3.602 5.144 17.764 1.00 0.00 C ATOM 1190 CG ARG A 76 -2.960 3.878 17.178 1.00 0.00 C ATOM 1191 CD ARG A 76 -2.379 2.990 18.280 1.00 0.00 C ATOM 1192 NE ARG A 76 -3.455 2.458 19.129 1.00 0.00 N ATOM 1193 CZ ARG A 76 -3.297 1.557 20.108 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -2.075 1.092 20.387 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -4.362 1.131 20.796 1.00 0.00 N ATOM 1196 OXT ARG A 76 -4.492 8.225 16.970 1.00 0.00 O ATOM 0 H ARG A 76 -2.743 6.632 15.842 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.268 5.205 16.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.824 5.815 18.127 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.219 4.878 18.622 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.705 3.319 16.612 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.172 4.157 16.479 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.818 2.168 17.836 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.678 3.564 18.887 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.400 2.803 18.959 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.270 1.423 19.856 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.948 0.406 21.131 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.290 1.492 20.575 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.246 0.445 21.542 1.00 0.00 H new TER 1210 ARG A 76