USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 47 SER OG : rot -35:sc= 1.64 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.721 USER MOD Set 1.3: A 54 GLN : amide:sc= 0.0543 K(o=2.4,f=-1.3!) USER MOD Single : A 2 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.7) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.994 (180deg=0.779) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 78:sc= 0.673 USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= 0.256 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00662 USER MOD Single : A 29 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -150:sc= -2.03! (180deg=-3.58!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -45:sc= 1.68 USER MOD Single : A 60 GLN : amide:sc= -0.624 K(o=-0.62,f=-0.0038) USER MOD Single : A 61 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.21) USER MOD Single : A 65 TYR OH : rot -95:sc= 1.61 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.502 8.655 -6.122 1.00 0.00 N ATOM 14 CA ASN A 2 -3.312 7.874 -6.263 1.00 0.00 C ATOM 15 C ASN A 2 -3.478 6.705 -5.311 1.00 0.00 C ATOM 16 O ASN A 2 -3.815 6.958 -4.159 1.00 0.00 O ATOM 17 CB ASN A 2 -2.079 8.661 -5.814 1.00 0.00 C ATOM 18 CG ASN A 2 -2.092 10.179 -5.878 1.00 0.00 C ATOM 19 OD1 ASN A 2 -1.794 10.852 -4.892 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.359 10.773 -7.021 1.00 0.00 N ATOM 0 HA ASN A 2 -3.174 7.579 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.871 8.380 -4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.236 8.317 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.319 11.790 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.606 10.217 -7.839 1.00 0.00 H new ATOM 27 N VAL A 3 -3.189 5.474 -5.717 1.00 0.00 N ATOM 28 CA VAL A 3 -3.098 4.350 -4.791 1.00 0.00 C ATOM 29 C VAL A 3 -1.804 3.652 -5.086 1.00 0.00 C ATOM 30 O VAL A 3 -1.563 3.218 -6.212 1.00 0.00 O ATOM 31 CB VAL A 3 -4.311 3.416 -4.855 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.157 2.189 -3.935 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.497 4.231 -4.350 1.00 0.00 C ATOM 0 H VAL A 3 -3.012 5.227 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.109 4.709 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.431 3.050 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.043 1.559 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.277 1.619 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.042 2.520 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.397 3.616 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.305 4.557 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.638 5.103 -4.989 1.00 0.00 H new ATOM 43 N GLU A 4 -0.961 3.588 -4.074 1.00 0.00 N ATOM 44 CA GLU A 4 0.406 3.170 -4.194 1.00 0.00 C ATOM 45 C GLU A 4 0.688 2.227 -3.051 1.00 0.00 C ATOM 46 O GLU A 4 0.364 2.539 -1.908 1.00 0.00 O ATOM 47 CB GLU A 4 1.283 4.435 -4.169 1.00 0.00 C ATOM 48 CG GLU A 4 1.384 5.090 -5.552 1.00 0.00 C ATOM 49 CD GLU A 4 2.093 6.447 -5.530 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.113 6.628 -4.834 1.00 0.00 O ATOM 51 OE2 GLU A 4 1.665 7.349 -6.291 1.00 0.00 O ATOM 0 H GLU A 4 -1.225 3.835 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 4 0.619 2.641 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.868 5.150 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.281 4.177 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.918 4.420 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.381 5.219 -5.959 1.00 0.00 H new ATOM 58 N ILE A 5 1.227 1.049 -3.357 1.00 0.00 N ATOM 59 CA ILE A 5 1.429 0.021 -2.356 1.00 0.00 C ATOM 60 C ILE A 5 2.846 -0.513 -2.458 1.00 0.00 C ATOM 61 O ILE A 5 3.198 -1.167 -3.437 1.00 0.00 O ATOM 62 CB ILE A 5 0.285 -1.012 -2.406 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.486 -1.995 -1.230 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.064 -1.754 -3.737 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.696 -2.934 -0.962 1.00 0.00 C ATOM 0 H ILE A 5 1.530 0.788 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 5 1.362 0.421 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.640 -0.443 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.372 -2.598 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.686 -1.420 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.769 -2.449 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.161 -1.033 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.966 -2.307 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.460 -3.585 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.583 -2.345 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.886 -3.541 -1.847 1.00 0.00 H new ATOM 77 N TYR A 6 3.681 -0.195 -1.472 1.00 0.00 N ATOM 78 CA TYR A 6 5.025 -0.735 -1.416 1.00 0.00 C ATOM 79 C TYR A 6 4.961 -2.200 -0.995 1.00 0.00 C ATOM 80 O TYR A 6 4.179 -2.548 -0.103 1.00 0.00 O ATOM 81 CB TYR A 6 5.919 0.080 -0.483 1.00 0.00 C ATOM 82 CG TYR A 6 6.316 1.458 -0.989 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.462 2.564 -0.812 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.573 1.647 -1.596 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.873 3.851 -1.200 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.006 2.935 -1.958 1.00 0.00 C ATOM 87 CZ TYR A 6 7.156 4.044 -1.756 1.00 0.00 C ATOM 88 OH TYR A 6 7.569 5.297 -2.083 1.00 0.00 O ATOM 0 H TYR A 6 3.445 0.434 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 6 5.474 -0.672 -2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.406 0.197 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.827 -0.491 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.485 2.422 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.210 0.795 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.207 4.692 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.986 3.075 -2.389 1.00 0.00 H new ATOM 0 HH TYR A 6 8.476 5.257 -2.453 1.00 0.00 H new ATOM 98 N THR A 7 5.764 -3.048 -1.642 1.00 0.00 N ATOM 99 CA THR A 7 5.705 -4.504 -1.545 1.00 0.00 C ATOM 100 C THR A 7 7.104 -5.123 -1.736 1.00 0.00 C ATOM 101 O THR A 7 8.085 -4.411 -1.914 1.00 0.00 O ATOM 102 CB THR A 7 4.720 -5.035 -2.610 1.00 0.00 C ATOM 103 OG1 THR A 7 5.138 -4.637 -3.901 1.00 0.00 O ATOM 104 CG2 THR A 7 3.272 -4.568 -2.431 1.00 0.00 C ATOM 0 H THR A 7 6.500 -2.725 -2.270 1.00 0.00 H new ATOM 0 HA THR A 7 5.355 -4.788 -0.553 1.00 0.00 H new ATOM 0 HB THR A 7 4.734 -6.118 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.508 -4.980 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.653 -4.990 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.899 -4.902 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.232 -3.480 -2.480 1.00 0.00 H new ATOM 112 N LYS A 8 7.221 -6.452 -1.687 1.00 0.00 N ATOM 113 CA LYS A 8 8.398 -7.247 -2.071 1.00 0.00 C ATOM 114 C LYS A 8 7.840 -8.570 -2.604 1.00 0.00 C ATOM 115 O LYS A 8 6.637 -8.825 -2.462 1.00 0.00 O ATOM 116 CB LYS A 8 9.396 -7.501 -0.916 1.00 0.00 C ATOM 117 CG LYS A 8 8.958 -7.025 0.484 1.00 0.00 C ATOM 118 CD LYS A 8 9.909 -7.345 1.651 1.00 0.00 C ATOM 119 CE LYS A 8 10.266 -8.840 1.658 1.00 0.00 C ATOM 120 NZ LYS A 8 10.500 -9.373 3.011 1.00 0.00 N ATOM 0 H LYS A 8 6.454 -7.040 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 8 8.981 -6.699 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.596 -8.571 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.338 -7.012 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.816 -5.945 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.987 -7.467 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.817 -6.748 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.439 -7.072 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.459 -9.402 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.159 -8.997 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.736 -10.384 2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.288 -8.860 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.641 -9.252 3.585 1.00 0.00 H new ATOM 134 N GLU A 9 8.685 -9.448 -3.143 1.00 0.00 N ATOM 135 CA GLU A 9 8.215 -10.636 -3.880 1.00 0.00 C ATOM 136 C GLU A 9 7.489 -11.655 -2.997 1.00 0.00 C ATOM 137 O GLU A 9 6.761 -12.513 -3.491 1.00 0.00 O ATOM 138 CB GLU A 9 9.343 -11.349 -4.629 1.00 0.00 C ATOM 139 CG GLU A 9 10.157 -10.408 -5.521 1.00 0.00 C ATOM 140 CD GLU A 9 11.498 -10.074 -4.876 1.00 0.00 C ATOM 141 OE1 GLU A 9 11.507 -9.607 -3.710 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.530 -10.353 -5.531 1.00 0.00 O ATOM 0 H GLU A 9 9.700 -9.365 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 9 7.501 -10.236 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.008 -11.823 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.919 -12.145 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.322 -10.873 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.595 -9.491 -5.698 1.00 0.00 H new ATOM 149 N THR A 10 7.636 -11.563 -1.683 1.00 0.00 N ATOM 150 CA THR A 10 6.842 -12.291 -0.715 1.00 0.00 C ATOM 151 C THR A 10 6.510 -11.285 0.368 1.00 0.00 C ATOM 152 O THR A 10 7.400 -10.596 0.874 1.00 0.00 O ATOM 153 CB THR A 10 7.623 -13.493 -0.188 1.00 0.00 C ATOM 154 OG1 THR A 10 7.747 -14.452 -1.218 1.00 0.00 O ATOM 155 CG2 THR A 10 6.936 -14.149 1.012 1.00 0.00 C ATOM 0 H THR A 10 8.335 -10.959 -1.252 1.00 0.00 H new ATOM 0 HA THR A 10 5.928 -12.704 -1.141 1.00 0.00 H new ATOM 0 HB THR A 10 8.600 -13.134 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.249 -15.225 -0.886 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.529 -14.999 1.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.846 -13.424 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.944 -14.492 0.720 1.00 0.00 H new ATOM 163 N CYS A 11 5.224 -11.164 0.682 1.00 0.00 N ATOM 164 CA CYS A 11 4.701 -10.274 1.695 1.00 0.00 C ATOM 165 C CYS A 11 3.236 -10.680 1.909 1.00 0.00 C ATOM 166 O CYS A 11 2.377 -10.259 1.127 1.00 0.00 O ATOM 167 CB CYS A 11 4.848 -8.833 1.202 1.00 0.00 C ATOM 168 SG CYS A 11 4.077 -7.591 2.251 1.00 0.00 S ATOM 0 H CYS A 11 4.496 -11.706 0.217 1.00 0.00 H new ATOM 0 HA CYS A 11 5.234 -10.341 2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.909 -8.602 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.419 -8.761 0.203 1.00 0.00 H new ATOM 173 N PRO A 12 2.920 -11.525 2.906 1.00 0.00 N ATOM 174 CA PRO A 12 1.569 -12.044 3.101 1.00 0.00 C ATOM 175 C PRO A 12 0.531 -10.935 3.260 1.00 0.00 C ATOM 176 O PRO A 12 -0.565 -11.065 2.708 1.00 0.00 O ATOM 177 CB PRO A 12 1.633 -12.955 4.333 1.00 0.00 C ATOM 178 CG PRO A 12 2.965 -12.625 5.003 1.00 0.00 C ATOM 179 CD PRO A 12 3.839 -12.132 3.858 1.00 0.00 C ATOM 0 HA PRO A 12 1.242 -12.598 2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.796 -12.768 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.584 -14.006 4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.847 -11.862 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.397 -13.501 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.576 -11.409 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.391 -12.954 3.402 1.00 0.00 H new ATOM 187 N TYR A 13 0.850 -9.852 3.974 1.00 0.00 N ATOM 188 CA TYR A 13 -0.082 -8.750 4.165 1.00 0.00 C ATOM 189 C TYR A 13 -0.168 -7.879 2.912 1.00 0.00 C ATOM 190 O TYR A 13 -1.241 -7.353 2.629 1.00 0.00 O ATOM 191 CB TYR A 13 0.282 -7.928 5.406 1.00 0.00 C ATOM 192 CG TYR A 13 -0.115 -8.573 6.724 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.522 -9.746 7.178 1.00 0.00 C ATOM 194 CD2 TYR A 13 -1.096 -7.968 7.531 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.239 -10.260 8.454 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.408 -8.489 8.795 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.703 -9.608 9.279 1.00 0.00 C ATOM 198 OH TYR A 13 -0.937 -10.068 10.535 1.00 0.00 O ATOM 0 H TYR A 13 1.753 -9.720 4.429 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.073 -9.171 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.358 -7.755 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.198 -6.952 5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.232 -10.252 6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.615 -7.091 7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.740 -11.151 8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.184 -8.035 9.393 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.612 -9.506 10.969 1.00 0.00 H new ATOM 208 N CYS A 14 0.897 -7.764 2.109 1.00 0.00 N ATOM 209 CA CYS A 14 0.792 -7.115 0.805 1.00 0.00 C ATOM 210 C CYS A 14 -0.227 -7.863 -0.028 1.00 0.00 C ATOM 211 O CYS A 14 -1.161 -7.251 -0.534 1.00 0.00 O ATOM 212 CB CYS A 14 2.111 -7.077 0.033 1.00 0.00 C ATOM 213 SG CYS A 14 3.493 -6.258 0.850 1.00 0.00 S ATOM 0 H CYS A 14 1.829 -8.109 2.339 1.00 0.00 H new ATOM 0 HA CYS A 14 0.496 -6.082 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.405 -8.102 -0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.935 -6.580 -0.921 1.00 0.00 H new ATOM 218 N HIS A 15 -0.075 -9.185 -0.128 1.00 0.00 N ATOM 219 CA HIS A 15 -1.021 -10.003 -0.856 1.00 0.00 C ATOM 220 C HIS A 15 -2.435 -9.841 -0.290 1.00 0.00 C ATOM 221 O HIS A 15 -3.355 -9.724 -1.088 1.00 0.00 O ATOM 222 CB HIS A 15 -0.542 -11.456 -0.898 1.00 0.00 C ATOM 223 CG HIS A 15 -1.587 -12.375 -1.465 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.331 -12.167 -2.616 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.082 -13.470 -0.819 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.284 -13.115 -2.640 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.147 -13.925 -1.571 1.00 0.00 N ATOM 0 H HIS A 15 0.698 -9.703 0.290 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.074 -9.662 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.364 -11.522 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.281 -11.781 0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.713 -13.898 0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.044 -13.213 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.729 -14.734 -1.355 1.00 0.00 H new ATOM 236 N ARG A 16 -2.636 -9.770 1.035 1.00 0.00 N ATOM 237 CA ARG A 16 -3.959 -9.491 1.609 1.00 0.00 C ATOM 238 C ARG A 16 -4.542 -8.197 1.031 1.00 0.00 C ATOM 239 O ARG A 16 -5.648 -8.219 0.495 1.00 0.00 O ATOM 240 CB ARG A 16 -3.915 -9.427 3.148 1.00 0.00 C ATOM 241 CG ARG A 16 -3.868 -10.795 3.849 1.00 0.00 C ATOM 242 CD ARG A 16 -3.354 -10.682 5.296 1.00 0.00 C ATOM 243 NE ARG A 16 -3.995 -11.615 6.241 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.739 -12.917 6.417 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.981 -13.594 5.560 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.246 -13.549 7.469 1.00 0.00 N ATOM 0 H ARG A 16 -1.899 -9.902 1.728 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.612 -10.319 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.041 -8.850 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.792 -8.884 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.865 -11.236 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.222 -11.469 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.278 -10.859 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.512 -9.662 5.647 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.724 -11.219 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.582 -13.122 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.799 -14.586 5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.827 -13.042 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.055 -14.541 7.609 1.00 0.00 H new ATOM 260 N ALA A 17 -3.812 -7.080 1.113 1.00 0.00 N ATOM 261 CA ALA A 17 -4.287 -5.804 0.584 1.00 0.00 C ATOM 262 C ALA A 17 -4.536 -5.902 -0.918 1.00 0.00 C ATOM 263 O ALA A 17 -5.614 -5.540 -1.376 1.00 0.00 O ATOM 264 CB ALA A 17 -3.282 -4.686 0.891 1.00 0.00 C ATOM 0 H ALA A 17 -2.888 -7.037 1.542 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.231 -5.562 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.653 -3.743 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.156 -4.596 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.322 -4.923 0.432 1.00 0.00 H new ATOM 270 N LYS A 18 -3.564 -6.385 -1.695 1.00 0.00 N ATOM 271 CA LYS A 18 -3.702 -6.453 -3.145 1.00 0.00 C ATOM 272 C LYS A 18 -4.859 -7.356 -3.551 1.00 0.00 C ATOM 273 O LYS A 18 -5.528 -7.050 -4.534 1.00 0.00 O ATOM 274 CB LYS A 18 -2.404 -6.914 -3.820 1.00 0.00 C ATOM 275 CG LYS A 18 -1.232 -5.926 -3.668 1.00 0.00 C ATOM 276 CD LYS A 18 -0.297 -5.963 -4.883 1.00 0.00 C ATOM 277 CE LYS A 18 0.412 -7.316 -4.961 1.00 0.00 C ATOM 278 NZ LYS A 18 1.061 -7.532 -6.265 1.00 0.00 N ATOM 0 H LYS A 18 -2.674 -6.734 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.918 -5.441 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.111 -7.876 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.596 -7.074 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.622 -4.916 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.668 -6.167 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.867 -5.790 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.439 -5.162 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.160 -7.378 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.309 -8.113 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.790 -8.268 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.350 -7.835 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.502 -6.646 -6.584 1.00 0.00 H new ATOM 292 N ALA A 19 -5.129 -8.426 -2.802 1.00 0.00 N ATOM 293 CA ALA A 19 -6.262 -9.293 -3.052 1.00 0.00 C ATOM 294 C ALA A 19 -7.547 -8.493 -2.881 1.00 0.00 C ATOM 295 O ALA A 19 -8.372 -8.500 -3.789 1.00 0.00 O ATOM 296 CB ALA A 19 -6.236 -10.516 -2.129 1.00 0.00 C ATOM 0 H ALA A 19 -4.561 -8.710 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.211 -9.668 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.098 -11.149 -2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.320 -11.082 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.271 -10.188 -1.090 1.00 0.00 H new ATOM 302 N LEU A 20 -7.697 -7.780 -1.758 1.00 0.00 N ATOM 303 CA LEU A 20 -8.882 -6.972 -1.467 1.00 0.00 C ATOM 304 C LEU A 20 -9.086 -5.949 -2.581 1.00 0.00 C ATOM 305 O LEU A 20 -10.174 -5.839 -3.139 1.00 0.00 O ATOM 306 CB LEU A 20 -8.737 -6.324 -0.073 1.00 0.00 C ATOM 307 CG LEU A 20 -9.937 -5.451 0.367 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.046 -5.449 1.896 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.805 -3.980 -0.055 1.00 0.00 C ATOM 0 H LEU A 20 -6.992 -7.749 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.775 -7.596 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.590 -7.113 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.837 -5.709 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.810 -5.888 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.892 -4.833 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.193 -6.469 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.130 -5.044 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.679 -3.424 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.907 -3.553 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.735 -3.918 -1.141 1.00 0.00 H new ATOM 321 N LEU A 21 -8.026 -5.225 -2.935 1.00 0.00 N ATOM 322 CA LEU A 21 -8.085 -4.150 -3.911 1.00 0.00 C ATOM 323 C LEU A 21 -8.391 -4.693 -5.308 1.00 0.00 C ATOM 324 O LEU A 21 -9.211 -4.114 -6.022 1.00 0.00 O ATOM 325 CB LEU A 21 -6.757 -3.364 -3.869 1.00 0.00 C ATOM 326 CG LEU A 21 -6.504 -2.573 -2.564 1.00 0.00 C ATOM 327 CD1 LEU A 21 -5.164 -1.834 -2.634 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.587 -1.552 -2.245 1.00 0.00 C ATOM 0 H LEU A 21 -7.095 -5.373 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.899 -3.470 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.934 -4.063 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.738 -2.667 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.504 -3.321 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.003 -1.283 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.358 -2.555 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.176 -1.138 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.340 -1.038 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.653 -0.826 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.545 -2.060 -2.134 1.00 0.00 H new ATOM 340 N SER A 22 -7.786 -5.812 -5.709 1.00 0.00 N ATOM 341 CA SER A 22 -8.076 -6.413 -7.003 1.00 0.00 C ATOM 342 C SER A 22 -9.494 -6.993 -7.021 1.00 0.00 C ATOM 343 O SER A 22 -10.156 -6.927 -8.056 1.00 0.00 O ATOM 344 CB SER A 22 -7.008 -7.454 -7.370 1.00 0.00 C ATOM 345 OG SER A 22 -6.900 -7.570 -8.777 1.00 0.00 O ATOM 0 H SER A 22 -7.094 -6.316 -5.155 1.00 0.00 H new ATOM 0 HA SER A 22 -8.039 -5.639 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.046 -7.163 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.268 -8.420 -6.937 1.00 0.00 H new ATOM 0 HG SER A 22 -6.215 -8.235 -8.999 1.00 0.00 H new ATOM 351 N SER A 23 -10.014 -7.485 -5.893 1.00 0.00 N ATOM 352 CA SER A 23 -11.401 -7.921 -5.788 1.00 0.00 C ATOM 353 C SER A 23 -12.362 -6.738 -5.880 1.00 0.00 C ATOM 354 O SER A 23 -13.443 -6.875 -6.455 1.00 0.00 O ATOM 355 CB SER A 23 -11.626 -8.668 -4.475 1.00 0.00 C ATOM 356 OG SER A 23 -10.845 -9.847 -4.425 1.00 0.00 O ATOM 0 H SER A 23 -9.482 -7.590 -5.029 1.00 0.00 H new ATOM 0 HA SER A 23 -11.602 -8.592 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.370 -8.021 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.681 -8.921 -4.372 1.00 0.00 H new ATOM 0 HG SER A 23 -9.916 -9.616 -4.214 1.00 0.00 H new ATOM 362 N LYS A 24 -11.979 -5.561 -5.374 1.00 0.00 N ATOM 363 CA LYS A 24 -12.749 -4.342 -5.580 1.00 0.00 C ATOM 364 C LYS A 24 -12.564 -3.817 -7.010 1.00 0.00 C ATOM 365 O LYS A 24 -13.327 -2.953 -7.446 1.00 0.00 O ATOM 366 CB LYS A 24 -12.323 -3.333 -4.510 1.00 0.00 C ATOM 367 CG LYS A 24 -12.893 -3.672 -3.118 1.00 0.00 C ATOM 368 CD LYS A 24 -14.066 -2.754 -2.755 1.00 0.00 C ATOM 369 CE LYS A 24 -14.592 -3.091 -1.356 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.476 -2.029 -0.840 1.00 0.00 N ATOM 0 H LYS A 24 -11.135 -5.433 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.817 -4.531 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.235 -3.303 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.655 -2.337 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.223 -4.711 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.108 -3.575 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.746 -1.713 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.865 -2.866 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.136 -4.035 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.753 -3.230 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.995 -1.519 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.704 -1.364 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.353 -2.453 -0.477 1.00 0.00 H new ATOM 384 N GLY A 25 -11.605 -4.356 -7.764 1.00 0.00 N ATOM 385 CA GLY A 25 -11.392 -4.080 -9.179 1.00 0.00 C ATOM 386 C GLY A 25 -10.644 -2.772 -9.403 1.00 0.00 C ATOM 387 O GLY A 25 -10.652 -2.235 -10.514 1.00 0.00 O ATOM 0 H GLY A 25 -10.931 -5.022 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.830 -4.899 -9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.355 -4.038 -9.688 1.00 0.00 H new ATOM 391 N VAL A 26 -10.006 -2.237 -8.366 1.00 0.00 N ATOM 392 CA VAL A 26 -9.467 -0.886 -8.407 1.00 0.00 C ATOM 393 C VAL A 26 -8.202 -0.826 -9.268 1.00 0.00 C ATOM 394 O VAL A 26 -7.571 -1.845 -9.569 1.00 0.00 O ATOM 395 CB VAL A 26 -9.258 -0.357 -6.978 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.494 -0.610 -6.102 1.00 0.00 C ATOM 397 CG2 VAL A 26 -7.993 -0.932 -6.337 1.00 0.00 C ATOM 0 H VAL A 26 -9.850 -2.724 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.186 -0.223 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.119 0.722 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.314 -0.224 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.357 -0.104 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.690 -1.681 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.882 -0.533 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.070 -2.018 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.124 -0.655 -6.934 1.00 0.00 H new ATOM 407 N SER A 27 -7.823 0.380 -9.668 1.00 0.00 N ATOM 408 CA SER A 27 -6.663 0.684 -10.485 1.00 0.00 C ATOM 409 C SER A 27 -5.600 1.324 -9.585 1.00 0.00 C ATOM 410 O SER A 27 -5.765 2.464 -9.142 1.00 0.00 O ATOM 411 CB SER A 27 -7.121 1.515 -11.693 1.00 0.00 C ATOM 412 OG SER A 27 -8.319 2.241 -11.458 1.00 0.00 O ATOM 0 H SER A 27 -8.348 1.217 -9.415 1.00 0.00 H new ATOM 0 HA SER A 27 -6.187 -0.198 -10.913 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.329 2.213 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.268 0.852 -12.546 1.00 0.00 H new ATOM 0 HG SER A 27 -8.556 2.750 -12.261 1.00 0.00 H new ATOM 418 N PHE A 28 -4.536 0.584 -9.266 1.00 0.00 N ATOM 419 CA PHE A 28 -3.542 0.929 -8.248 1.00 0.00 C ATOM 420 C PHE A 28 -2.118 0.700 -8.790 1.00 0.00 C ATOM 421 O PHE A 28 -1.938 0.026 -9.811 1.00 0.00 O ATOM 422 CB PHE A 28 -3.834 0.082 -6.998 1.00 0.00 C ATOM 423 CG PHE A 28 -3.548 -1.409 -7.147 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.228 -1.901 -7.078 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.603 -2.315 -7.370 1.00 0.00 C ATOM 426 CE1 PHE A 28 -1.965 -3.268 -7.273 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.346 -3.690 -7.516 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.024 -4.166 -7.483 1.00 0.00 C ATOM 0 H PHE A 28 -4.336 -0.304 -9.726 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.605 1.985 -7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.241 0.469 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.882 0.210 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.413 -1.222 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.618 -1.951 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.947 -3.628 -7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.165 -4.380 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.823 -5.218 -7.619 1.00 0.00 H new ATOM 438 N GLN A 29 -1.100 1.172 -8.065 1.00 0.00 N ATOM 439 CA GLN A 29 0.323 1.026 -8.393 1.00 0.00 C ATOM 440 C GLN A 29 0.966 0.215 -7.280 1.00 0.00 C ATOM 441 O GLN A 29 0.628 0.414 -6.118 1.00 0.00 O ATOM 442 CB GLN A 29 1.003 2.404 -8.529 1.00 0.00 C ATOM 443 CG GLN A 29 2.530 2.411 -8.310 1.00 0.00 C ATOM 444 CD GLN A 29 3.205 3.734 -8.676 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.560 4.732 -8.986 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.528 3.767 -8.659 1.00 0.00 N ATOM 0 H GLN A 29 -1.250 1.688 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 29 0.440 0.519 -9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.794 2.797 -9.524 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.547 3.088 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.738 2.186 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.975 1.612 -8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.056 2.933 -8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.020 4.626 -8.905 1.00 0.00 H new ATOM 455 N GLU A 30 1.948 -0.623 -7.608 1.00 0.00 N ATOM 456 CA GLU A 30 2.763 -1.328 -6.625 1.00 0.00 C ATOM 457 C GLU A 30 4.203 -0.814 -6.724 1.00 0.00 C ATOM 458 O GLU A 30 4.630 -0.365 -7.793 1.00 0.00 O ATOM 459 CB GLU A 30 2.612 -2.851 -6.793 1.00 0.00 C ATOM 460 CG GLU A 30 3.362 -3.421 -8.007 1.00 0.00 C ATOM 461 CD GLU A 30 2.734 -4.704 -8.560 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.479 -5.677 -7.812 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.506 -4.757 -9.793 1.00 0.00 O ATOM 0 H GLU A 30 2.201 -0.832 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 30 2.424 -1.124 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.974 -3.344 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.553 -3.093 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.388 -2.669 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.395 -3.623 -7.725 1.00 0.00 H new ATOM 470 N LEU A 31 4.937 -0.832 -5.613 1.00 0.00 N ATOM 471 CA LEU A 31 6.244 -0.196 -5.445 1.00 0.00 C ATOM 472 C LEU A 31 7.191 -1.188 -4.754 1.00 0.00 C ATOM 473 O LEU A 31 7.263 -1.233 -3.527 1.00 0.00 O ATOM 474 CB LEU A 31 6.074 1.108 -4.652 1.00 0.00 C ATOM 475 CG LEU A 31 5.480 2.241 -5.509 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.370 2.972 -4.767 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.565 3.230 -5.915 1.00 0.00 C ATOM 0 H LEU A 31 4.624 -1.311 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 31 6.682 0.066 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.426 0.927 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.042 1.421 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 31 5.055 1.788 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.971 3.766 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.573 2.270 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.769 3.404 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.126 4.023 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.016 3.662 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.330 2.713 -6.494 1.00 0.00 H new ATOM 489 N PRO A 32 7.889 -2.038 -5.511 1.00 0.00 N ATOM 490 CA PRO A 32 8.620 -3.156 -4.937 1.00 0.00 C ATOM 491 C PRO A 32 9.896 -2.697 -4.223 1.00 0.00 C ATOM 492 O PRO A 32 10.515 -1.704 -4.605 1.00 0.00 O ATOM 493 CB PRO A 32 8.937 -4.061 -6.128 1.00 0.00 C ATOM 494 CG PRO A 32 9.052 -3.076 -7.288 1.00 0.00 C ATOM 495 CD PRO A 32 8.067 -1.960 -6.948 1.00 0.00 C ATOM 0 HA PRO A 32 8.039 -3.671 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.863 -4.617 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.149 -4.795 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.068 -2.692 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.801 -3.550 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.457 -0.986 -7.245 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.120 -2.097 -7.471 1.00 0.00 H new ATOM 503 N ILE A 33 10.331 -3.468 -3.228 1.00 0.00 N ATOM 504 CA ILE A 33 11.625 -3.366 -2.564 1.00 0.00 C ATOM 505 C ILE A 33 12.318 -4.726 -2.591 1.00 0.00 C ATOM 506 O ILE A 33 12.799 -5.216 -1.569 1.00 0.00 O ATOM 507 CB ILE A 33 11.558 -2.717 -1.166 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.575 -3.397 -0.188 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.255 -1.224 -1.329 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.988 -3.216 1.278 1.00 0.00 C ATOM 0 H ILE A 33 9.758 -4.220 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 33 12.243 -2.666 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 33 12.533 -2.857 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.577 -2.984 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.517 -4.461 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.205 -0.754 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.044 -0.755 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.300 -1.100 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.264 -3.713 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.974 -3.653 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.020 -2.153 1.519 1.00 0.00 H new ATOM 575 N LYS A 39 13.816 2.347 -3.878 1.00 0.00 N ATOM 576 CA LYS A 39 12.469 2.578 -3.357 1.00 0.00 C ATOM 577 C LYS A 39 12.426 2.381 -1.846 1.00 0.00 C ATOM 578 O LYS A 39 11.515 2.905 -1.219 1.00 0.00 O ATOM 579 CB LYS A 39 11.429 1.650 -3.988 1.00 0.00 C ATOM 580 CG LYS A 39 11.217 1.790 -5.507 1.00 0.00 C ATOM 581 CD LYS A 39 9.956 2.574 -5.876 1.00 0.00 C ATOM 582 CE LYS A 39 10.069 4.093 -5.732 1.00 0.00 C ATOM 583 NZ LYS A 39 10.835 4.718 -6.829 1.00 0.00 N ATOM 0 HA LYS A 39 12.223 3.608 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.717 0.620 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.473 1.821 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.084 2.286 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.161 0.796 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.692 2.341 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.135 2.226 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.069 4.526 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.547 4.328 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.879 5.746 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.799 4.329 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.367 4.520 -7.736 1.00 0.00 H new ATOM 597 N ARG A 40 13.348 1.613 -1.262 1.00 0.00 N ATOM 598 CA ARG A 40 13.379 1.345 0.170 1.00 0.00 C ATOM 599 C ARG A 40 13.866 2.592 0.898 1.00 0.00 C ATOM 600 O ARG A 40 13.218 3.025 1.845 1.00 0.00 O ATOM 601 CB ARG A 40 14.241 0.095 0.424 1.00 0.00 C ATOM 602 CG ARG A 40 14.077 -0.501 1.828 1.00 0.00 C ATOM 603 CD ARG A 40 14.978 0.194 2.856 1.00 0.00 C ATOM 604 NE ARG A 40 15.002 -0.527 4.135 1.00 0.00 N ATOM 605 CZ ARG A 40 15.861 -1.501 4.456 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.665 -2.040 3.545 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.919 -1.931 5.707 1.00 0.00 N ATOM 0 H ARG A 40 14.100 1.157 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 40 12.386 1.125 0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.987 -0.665 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.289 0.351 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.036 -0.413 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.313 -1.565 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.991 0.267 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.625 1.212 3.019 1.00 0.00 H new ATOM 0 HE ARG A 40 14.308 -0.264 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.634 -1.712 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.313 -2.782 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.312 -1.520 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.571 -2.673 5.961 1.00 0.00 H new ATOM 621 N GLU A 41 14.959 3.186 0.432 1.00 0.00 N ATOM 622 CA GLU A 41 15.486 4.466 0.880 1.00 0.00 C ATOM 623 C GLU A 41 14.444 5.569 0.668 1.00 0.00 C ATOM 624 O GLU A 41 14.242 6.416 1.542 1.00 0.00 O ATOM 625 CB GLU A 41 16.752 4.768 0.072 1.00 0.00 C ATOM 626 CG GLU A 41 17.994 3.999 0.544 1.00 0.00 C ATOM 627 CD GLU A 41 18.647 4.690 1.740 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.270 5.765 1.543 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.533 4.188 2.875 1.00 0.00 O ATOM 0 H GLU A 41 15.527 2.766 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 41 15.722 4.425 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.567 4.530 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.958 5.837 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.714 2.981 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 18.712 3.924 -0.273 1.00 0.00 H new ATOM 636 N GLU A 42 13.738 5.543 -0.466 1.00 0.00 N ATOM 637 CA GLU A 42 12.621 6.437 -0.743 1.00 0.00 C ATOM 638 C GLU A 42 11.562 6.290 0.346 1.00 0.00 C ATOM 639 O GLU A 42 11.039 7.277 0.867 1.00 0.00 O ATOM 640 CB GLU A 42 12.008 6.115 -2.108 1.00 0.00 C ATOM 641 CG GLU A 42 11.254 7.303 -2.698 1.00 0.00 C ATOM 642 CD GLU A 42 12.224 8.155 -3.510 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.122 8.790 -2.913 1.00 0.00 O ATOM 644 OE2 GLU A 42 12.097 8.129 -4.756 1.00 0.00 O ATOM 0 H GLU A 42 13.933 4.890 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 42 12.987 7.464 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.797 5.810 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.328 5.269 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.439 6.954 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.807 7.898 -1.902 1.00 0.00 H new ATOM 651 N MET A 43 11.265 5.039 0.715 1.00 0.00 N ATOM 652 CA MET A 43 10.287 4.684 1.715 1.00 0.00 C ATOM 653 C MET A 43 10.628 5.272 3.080 1.00 0.00 C ATOM 654 O MET A 43 9.730 5.388 3.909 1.00 0.00 O ATOM 655 CB MET A 43 10.072 3.163 1.785 1.00 0.00 C ATOM 656 CG MET A 43 8.586 2.798 1.828 1.00 0.00 C ATOM 657 SD MET A 43 8.205 1.041 2.072 1.00 0.00 S ATOM 658 CE MET A 43 9.384 0.207 0.983 1.00 0.00 C ATOM 0 H MET A 43 11.723 4.226 0.303 1.00 0.00 H new ATOM 0 HA MET A 43 9.341 5.128 1.407 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.537 2.690 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.569 2.766 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.116 3.366 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.125 3.123 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.953 -0.729 0.628 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.609 0.849 0.131 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.302 -0.002 1.532 1.00 0.00 H new ATOM 668 N ILE A 44 11.868 5.690 3.328 1.00 0.00 N ATOM 669 CA ILE A 44 12.214 6.406 4.549 1.00 0.00 C ATOM 670 C ILE A 44 11.545 7.783 4.488 1.00 0.00 C ATOM 671 O ILE A 44 10.719 8.075 5.343 1.00 0.00 O ATOM 672 CB ILE A 44 13.734 6.496 4.808 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.468 5.152 4.635 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.944 6.968 6.261 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.987 5.297 4.598 1.00 0.00 C ATOM 0 H ILE A 44 12.653 5.543 2.693 1.00 0.00 H new ATOM 0 HA ILE A 44 11.840 5.845 5.405 1.00 0.00 H new ATOM 0 HB ILE A 44 14.146 7.188 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.193 4.487 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.132 4.678 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.011 7.040 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.481 7.946 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.488 6.253 6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.443 4.315 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.271 5.937 3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.333 5.743 5.531 1.00 0.00 H new ATOM 687 N LYS A 45 11.812 8.625 3.483 1.00 0.00 N ATOM 688 CA LYS A 45 11.129 9.921 3.408 1.00 0.00 C ATOM 689 C LYS A 45 9.622 9.761 3.277 1.00 0.00 C ATOM 690 O LYS A 45 8.867 10.494 3.918 1.00 0.00 O ATOM 691 CB LYS A 45 11.709 10.808 2.296 1.00 0.00 C ATOM 692 CG LYS A 45 12.862 11.646 2.862 1.00 0.00 C ATOM 693 CD LYS A 45 13.565 12.464 1.781 1.00 0.00 C ATOM 694 CE LYS A 45 14.658 13.317 2.426 1.00 0.00 C ATOM 695 NZ LYS A 45 15.508 13.985 1.422 1.00 0.00 N ATOM 0 H LYS A 45 12.476 8.441 2.731 1.00 0.00 H new ATOM 0 HA LYS A 45 11.313 10.433 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.065 10.190 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.934 11.460 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.478 12.317 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.584 10.988 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.999 11.802 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.846 13.101 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.199 14.068 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.278 12.688 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.235 14.552 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.968 13.269 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.922 14.606 0.829 1.00 0.00 H new ATOM 709 N ARG A 46 9.167 8.803 2.477 1.00 0.00 N ATOM 710 CA ARG A 46 7.758 8.570 2.213 1.00 0.00 C ATOM 711 C ARG A 46 7.026 8.079 3.462 1.00 0.00 C ATOM 712 O ARG A 46 5.924 8.555 3.717 1.00 0.00 O ATOM 713 CB ARG A 46 7.652 7.586 1.037 1.00 0.00 C ATOM 714 CG ARG A 46 7.582 8.273 -0.336 1.00 0.00 C ATOM 715 CD ARG A 46 6.125 8.480 -0.769 1.00 0.00 C ATOM 716 NE ARG A 46 6.019 9.131 -2.085 1.00 0.00 N ATOM 717 CZ ARG A 46 6.157 10.432 -2.364 1.00 0.00 C ATOM 718 NH1 ARG A 46 6.431 11.315 -1.404 1.00 0.00 N ATOM 719 NH2 ARG A 46 6.017 10.832 -3.621 1.00 0.00 N ATOM 0 H ARG A 46 9.783 8.155 1.985 1.00 0.00 H new ATOM 0 HA ARG A 46 7.266 9.504 1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.512 6.917 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.764 6.968 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.093 9.235 -0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.104 7.668 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.618 7.516 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.610 9.086 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 46 5.817 8.519 -2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.539 11.002 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.533 12.303 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.808 10.152 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.118 11.819 -3.856 1.00 0.00 H new ATOM 733 N SER A 47 7.587 7.137 4.227 1.00 0.00 N ATOM 734 CA SER A 47 6.859 6.447 5.299 1.00 0.00 C ATOM 735 C SER A 47 7.537 6.486 6.669 1.00 0.00 C ATOM 736 O SER A 47 6.862 6.311 7.680 1.00 0.00 O ATOM 737 CB SER A 47 6.629 4.981 4.905 1.00 0.00 C ATOM 738 OG SER A 47 7.781 4.190 5.095 1.00 0.00 O ATOM 0 H SER A 47 8.555 6.832 4.122 1.00 0.00 H new ATOM 0 HA SER A 47 5.921 6.992 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.809 4.573 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.325 4.931 3.859 1.00 0.00 H new ATOM 0 HG SER A 47 8.579 4.719 4.887 1.00 0.00 H new ATOM 744 N GLY A 48 8.865 6.605 6.696 1.00 0.00 N ATOM 745 CA GLY A 48 9.752 6.443 7.843 1.00 0.00 C ATOM 746 C GLY A 48 10.057 4.979 8.166 1.00 0.00 C ATOM 747 O GLY A 48 11.087 4.685 8.774 1.00 0.00 O ATOM 0 H GLY A 48 9.386 6.835 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.687 6.968 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.298 6.914 8.715 1.00 0.00 H new ATOM 751 N ARG A 49 9.208 4.052 7.719 1.00 0.00 N ATOM 752 CA ARG A 49 9.218 2.654 8.136 1.00 0.00 C ATOM 753 C ARG A 49 10.147 1.784 7.300 1.00 0.00 C ATOM 754 O ARG A 49 11.061 1.184 7.865 1.00 0.00 O ATOM 755 CB ARG A 49 7.786 2.107 8.108 1.00 0.00 C ATOM 756 CG ARG A 49 6.789 2.893 8.968 1.00 0.00 C ATOM 757 CD ARG A 49 5.384 2.303 8.886 1.00 0.00 C ATOM 758 NE ARG A 49 5.318 1.056 9.653 1.00 0.00 N ATOM 759 CZ ARG A 49 4.432 0.781 10.610 1.00 0.00 C ATOM 760 NH1 ARG A 49 3.291 1.455 10.719 1.00 0.00 N ATOM 761 NH2 ARG A 49 4.725 -0.184 11.464 1.00 0.00 N ATOM 0 H ARG A 49 8.477 4.261 7.039 1.00 0.00 H new ATOM 0 HA ARG A 49 9.612 2.618 9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.432 2.102 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.800 1.071 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.124 2.892 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.767 3.932 8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.658 3.017 9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.120 2.114 7.845 1.00 0.00 H new ATOM 0 HE ARG A 49 6.009 0.338 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.076 2.204 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.631 1.223 11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.606 -0.691 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.070 -0.422 12.209 1.00 0.00 H new ATOM 775 N THR A 50 9.900 1.693 5.990 1.00 0.00 N ATOM 776 CA THR A 50 10.563 0.801 5.024 1.00 0.00 C ATOM 777 C THR A 50 10.101 -0.663 5.130 1.00 0.00 C ATOM 778 O THR A 50 10.749 -1.584 4.625 1.00 0.00 O ATOM 779 CB THR A 50 12.098 0.972 4.984 1.00 0.00 C ATOM 780 OG1 THR A 50 12.796 0.320 6.027 1.00 0.00 O ATOM 781 CG2 THR A 50 12.551 2.429 5.003 1.00 0.00 C ATOM 0 H THR A 50 9.189 2.274 5.545 1.00 0.00 H new ATOM 0 HA THR A 50 10.222 1.131 4.043 1.00 0.00 H new ATOM 0 HB THR A 50 12.347 0.502 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.340 0.485 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.640 2.472 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.143 2.948 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.194 2.909 5.914 1.00 0.00 H new ATOM 789 N THR A 51 8.980 -0.884 5.805 1.00 0.00 N ATOM 790 CA THR A 51 8.358 -2.183 5.979 1.00 0.00 C ATOM 791 C THR A 51 7.271 -2.340 4.932 1.00 0.00 C ATOM 792 O THR A 51 7.015 -1.434 4.139 1.00 0.00 O ATOM 793 CB THR A 51 7.863 -2.300 7.431 1.00 0.00 C ATOM 794 OG1 THR A 51 6.866 -1.336 7.707 1.00 0.00 O ATOM 795 CG2 THR A 51 8.998 -2.088 8.439 1.00 0.00 C ATOM 0 H THR A 51 8.463 -0.133 6.262 1.00 0.00 H new ATOM 0 HA THR A 51 9.057 -3.005 5.825 1.00 0.00 H new ATOM 0 HB THR A 51 7.461 -3.308 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.566 -1.432 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.606 -2.179 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.771 -2.840 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.425 -1.094 8.303 1.00 0.00 H new ATOM 803 N VAL A 52 6.642 -3.506 4.890 1.00 0.00 N ATOM 804 CA VAL A 52 5.626 -3.748 3.879 1.00 0.00 C ATOM 805 C VAL A 52 4.411 -4.449 4.507 1.00 0.00 C ATOM 806 O VAL A 52 4.575 -5.156 5.504 1.00 0.00 O ATOM 807 CB VAL A 52 6.252 -4.582 2.752 1.00 0.00 C ATOM 808 CG1 VAL A 52 7.007 -3.689 1.760 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.103 -5.753 3.254 1.00 0.00 C ATOM 0 H VAL A 52 6.812 -4.283 5.529 1.00 0.00 H new ATOM 0 HA VAL A 52 5.269 -2.807 3.461 1.00 0.00 H new ATOM 0 HB VAL A 52 5.425 -5.049 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.440 -4.305 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.317 -2.970 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.802 -3.156 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.512 -6.296 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.919 -5.373 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.484 -6.424 3.849 1.00 0.00 H new ATOM 819 N PRO A 53 3.203 -4.300 3.933 1.00 0.00 N ATOM 820 CA PRO A 53 2.899 -3.337 2.886 1.00 0.00 C ATOM 821 C PRO A 53 2.943 -1.915 3.448 1.00 0.00 C ATOM 822 O PRO A 53 2.727 -1.692 4.641 1.00 0.00 O ATOM 823 CB PRO A 53 1.493 -3.679 2.391 1.00 0.00 C ATOM 824 CG PRO A 53 0.849 -4.356 3.596 1.00 0.00 C ATOM 825 CD PRO A 53 2.013 -5.034 4.319 1.00 0.00 C ATOM 0 HA PRO A 53 3.624 -3.384 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.944 -2.786 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.522 -4.341 1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.350 -3.631 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.096 -5.081 3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.871 -5.007 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.092 -6.083 4.034 1.00 0.00 H new ATOM 833 N GLN A 54 3.177 -0.953 2.565 1.00 0.00 N ATOM 834 CA GLN A 54 3.035 0.465 2.839 1.00 0.00 C ATOM 835 C GLN A 54 2.077 0.995 1.792 1.00 0.00 C ATOM 836 O GLN A 54 2.493 1.272 0.669 1.00 0.00 O ATOM 837 CB GLN A 54 4.402 1.183 2.853 1.00 0.00 C ATOM 838 CG GLN A 54 4.724 1.917 4.159 1.00 0.00 C ATOM 839 CD GLN A 54 5.735 1.166 5.012 1.00 0.00 C ATOM 840 OE1 GLN A 54 6.933 1.401 4.947 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.284 0.289 5.884 1.00 0.00 N ATOM 0 H GLN A 54 3.480 -1.147 1.611 1.00 0.00 H new ATOM 0 HA GLN A 54 2.634 0.651 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.185 0.449 2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.429 1.900 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.113 2.909 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.806 2.059 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.285 0.092 5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.934 -0.194 6.505 1.00 0.00 H new ATOM 850 N ILE A 55 0.789 1.049 2.121 1.00 0.00 N ATOM 851 CA ILE A 55 -0.182 1.667 1.240 1.00 0.00 C ATOM 852 C ILE A 55 -0.104 3.177 1.479 1.00 0.00 C ATOM 853 O ILE A 55 0.063 3.645 2.613 1.00 0.00 O ATOM 854 CB ILE A 55 -1.617 1.119 1.402 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.745 -0.411 1.582 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.427 1.449 0.136 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.415 -0.932 2.976 1.00 0.00 C ATOM 0 H ILE A 55 0.401 0.673 2.986 1.00 0.00 H new ATOM 0 HA ILE A 55 0.066 1.423 0.207 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.977 1.592 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.765 -0.706 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.088 -0.901 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.442 1.065 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.461 2.530 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.953 0.986 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.535 -2.015 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.385 -0.676 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.088 -0.478 3.703 1.00 0.00 H new ATOM 869 N PHE A 56 -0.267 3.919 0.397 1.00 0.00 N ATOM 870 CA PHE A 56 -0.365 5.348 0.271 1.00 0.00 C ATOM 871 C PHE A 56 -1.609 5.586 -0.580 1.00 0.00 C ATOM 872 O PHE A 56 -1.713 4.984 -1.651 1.00 0.00 O ATOM 873 CB PHE A 56 0.866 5.872 -0.471 1.00 0.00 C ATOM 874 CG PHE A 56 2.102 5.964 0.386 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.854 4.812 0.679 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.505 7.211 0.883 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.970 4.903 1.526 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.635 7.305 1.703 1.00 0.00 C ATOM 879 CZ PHE A 56 4.328 6.144 2.075 1.00 0.00 C ATOM 0 H PHE A 56 -0.342 3.473 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.423 5.849 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.072 5.219 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.642 6.859 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.574 3.860 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.944 8.099 0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.551 4.021 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.973 8.271 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.139 6.205 2.786 1.00 0.00 H new ATOM 889 N ILE A 57 -2.557 6.410 -0.135 1.00 0.00 N ATOM 890 CA ILE A 57 -3.770 6.717 -0.883 1.00 0.00 C ATOM 891 C ILE A 57 -3.890 8.233 -0.877 1.00 0.00 C ATOM 892 O ILE A 57 -3.799 8.851 0.181 1.00 0.00 O ATOM 893 CB ILE A 57 -4.965 5.962 -0.280 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.689 4.447 -0.415 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.293 6.376 -0.937 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.863 3.534 -0.097 1.00 0.00 C ATOM 0 H ILE A 57 -2.501 6.887 0.765 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.742 6.381 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.073 6.217 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.361 4.245 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.861 4.187 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.113 5.820 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.454 7.444 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.254 6.158 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.560 2.495 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.182 3.696 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.690 3.756 -0.772 1.00 0.00 H new ATOM 908 N ASP A 58 -4.024 8.824 -2.062 1.00 0.00 N ATOM 909 CA ASP A 58 -3.928 10.247 -2.360 1.00 0.00 C ATOM 910 C ASP A 58 -2.789 10.884 -1.566 1.00 0.00 C ATOM 911 O ASP A 58 -2.963 11.822 -0.785 1.00 0.00 O ATOM 912 CB ASP A 58 -5.285 10.954 -2.266 1.00 0.00 C ATOM 913 CG ASP A 58 -5.962 11.028 -3.631 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.323 11.437 -4.628 1.00 0.00 O ATOM 915 OD2 ASP A 58 -7.153 10.662 -3.723 1.00 0.00 O ATOM 0 H ASP A 58 -4.217 8.277 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.654 10.378 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.928 10.421 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.148 11.960 -1.870 1.00 0.00 H new ATOM 920 N ALA A 59 -1.601 10.299 -1.755 1.00 0.00 N ATOM 921 CA ALA A 59 -0.307 10.606 -1.159 1.00 0.00 C ATOM 922 C ALA A 59 -0.227 10.327 0.340 1.00 0.00 C ATOM 923 O ALA A 59 0.859 10.411 0.913 1.00 0.00 O ATOM 924 CB ALA A 59 0.051 12.064 -1.442 1.00 0.00 C ATOM 0 H ALA A 59 -1.520 9.514 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 59 0.414 9.933 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.019 12.294 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.100 12.224 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.710 12.715 -1.013 1.00 0.00 H new ATOM 930 N GLN A 60 -1.341 10.001 0.980 1.00 0.00 N ATOM 931 CA GLN A 60 -1.419 9.867 2.418 1.00 0.00 C ATOM 932 C GLN A 60 -0.888 8.497 2.798 1.00 0.00 C ATOM 933 O GLN A 60 -1.446 7.489 2.374 1.00 0.00 O ATOM 934 CB GLN A 60 -2.860 10.074 2.881 1.00 0.00 C ATOM 935 CG GLN A 60 -2.913 10.539 4.343 1.00 0.00 C ATOM 936 CD GLN A 60 -4.337 10.876 4.769 1.00 0.00 C ATOM 937 OE1 GLN A 60 -4.771 10.513 5.862 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.070 11.586 3.924 1.00 0.00 N ATOM 0 H GLN A 60 -2.225 9.821 0.504 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.813 10.625 2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.347 10.813 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.417 9.143 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.514 9.757 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.277 11.415 4.471 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.680 11.871 3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.024 11.848 4.172 1.00 0.00 H new ATOM 947 N HIS A 61 0.195 8.443 3.568 1.00 0.00 N ATOM 948 CA HIS A 61 0.747 7.194 4.079 1.00 0.00 C ATOM 949 C HIS A 61 -0.272 6.534 5.016 1.00 0.00 C ATOM 950 O HIS A 61 -0.392 6.939 6.171 1.00 0.00 O ATOM 951 CB HIS A 61 2.075 7.501 4.785 1.00 0.00 C ATOM 952 CG HIS A 61 2.709 6.336 5.501 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.510 6.478 6.615 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.495 4.999 5.279 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.730 5.257 7.118 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.113 4.342 6.337 1.00 0.00 N ATOM 0 H HIS A 61 0.717 9.271 3.856 1.00 0.00 H new ATOM 0 HA HIS A 61 0.947 6.491 3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.781 7.880 4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.908 8.302 5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.959 4.551 4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.307 5.038 8.004 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.103 3.335 6.498 1.00 0.00 H new ATOM 965 N ILE A 62 -0.992 5.519 4.539 1.00 0.00 N ATOM 966 CA ILE A 62 -2.051 4.837 5.271 1.00 0.00 C ATOM 967 C ILE A 62 -1.434 3.941 6.343 1.00 0.00 C ATOM 968 O ILE A 62 -1.724 4.129 7.524 1.00 0.00 O ATOM 969 CB ILE A 62 -2.938 4.061 4.267 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.442 4.968 3.124 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.130 3.347 4.922 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.161 6.251 3.574 1.00 0.00 C ATOM 0 H ILE A 62 -0.847 5.139 3.603 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.693 5.550 5.788 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.285 3.292 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.592 5.247 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.121 4.391 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.706 2.825 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.765 2.628 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.766 4.081 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.476 6.818 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.035 5.988 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.482 6.857 4.174 1.00 0.00 H new ATOM 984 N GLY A 63 -0.593 2.977 5.957 1.00 0.00 N ATOM 985 CA GLY A 63 -0.068 1.963 6.863 1.00 0.00 C ATOM 986 C GLY A 63 0.006 0.624 6.159 1.00 0.00 C ATOM 987 O GLY A 63 0.399 0.591 4.991 1.00 0.00 O ATOM 0 H GLY A 63 -0.258 2.882 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.923 2.254 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.706 1.885 7.743 1.00 0.00 H new ATOM 991 N GLY A 64 -0.320 -0.453 6.876 1.00 0.00 N ATOM 992 CA GLY A 64 -0.290 -1.821 6.387 1.00 0.00 C ATOM 993 C GLY A 64 -1.679 -2.282 5.953 1.00 0.00 C ATOM 994 O GLY A 64 -2.604 -1.479 5.823 1.00 0.00 O ATOM 0 H GLY A 64 -0.622 -0.388 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.400 -1.895 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.088 -2.481 7.168 1.00 0.00 H new ATOM 998 N TYR A 65 -1.828 -3.578 5.669 1.00 0.00 N ATOM 999 CA TYR A 65 -3.101 -4.113 5.200 1.00 0.00 C ATOM 1000 C TYR A 65 -4.182 -3.924 6.247 1.00 0.00 C ATOM 1001 O TYR A 65 -5.297 -3.595 5.875 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.999 -5.590 4.821 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.327 -6.325 4.800 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.287 -6.028 3.816 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.628 -7.264 5.803 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.487 -6.755 3.739 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.839 -7.972 5.758 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.749 -7.755 4.702 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.831 -8.567 4.604 1.00 0.00 O ATOM 0 H TYR A 65 -1.084 -4.271 5.756 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.368 -3.555 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.538 -5.669 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.333 -6.088 5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.100 -5.232 3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.928 -7.440 6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.200 -6.552 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.075 -8.685 6.534 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.567 -8.196 5.134 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.875 -4.119 7.527 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.870 -3.967 8.585 1.00 0.00 C ATOM 1021 C ASP A 66 -5.432 -2.540 8.576 1.00 0.00 C ATOM 1022 O ASP A 66 -6.640 -2.341 8.703 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.239 -4.303 9.939 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.138 -3.832 11.078 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.168 -4.500 11.332 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.822 -2.794 11.696 1.00 0.00 O ATOM 0 H ASP A 66 -2.946 -4.382 7.856 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.696 -4.656 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.078 -5.378 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.261 -3.828 10.019 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.558 -1.559 8.354 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.881 -0.135 8.307 1.00 0.00 C ATOM 1033 C ASP A 67 -5.806 0.155 7.124 1.00 0.00 C ATOM 1034 O ASP A 67 -6.826 0.833 7.253 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.602 0.703 8.143 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.577 0.522 9.256 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.938 -0.555 9.302 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.337 1.472 10.029 1.00 0.00 O ATOM 0 H ASP A 67 -3.567 -1.742 8.196 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.375 0.130 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.135 0.447 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.878 1.756 8.089 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.430 -0.355 5.953 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.169 -0.262 4.696 1.00 0.00 C ATOM 1045 C LEU A 68 -7.532 -0.931 4.803 1.00 0.00 C ATOM 1046 O LEU A 68 -8.544 -0.373 4.395 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.288 -0.917 3.612 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.834 -1.070 2.178 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.734 -2.296 1.972 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.507 0.206 1.678 1.00 0.00 C ATOM 0 H LEU A 68 -4.556 -0.871 5.850 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.372 0.778 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.365 -0.341 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.020 -1.912 3.967 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.951 -1.249 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.074 -2.328 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.172 -3.202 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.596 -2.230 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.876 0.050 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.341 0.458 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.785 1.023 1.680 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.561 -2.138 5.340 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.762 -2.933 5.483 1.00 0.00 C ATOM 1064 C TYR A 69 -9.706 -2.247 6.476 1.00 0.00 C ATOM 1065 O TYR A 69 -10.911 -2.238 6.249 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.345 -4.341 5.921 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.410 -5.416 5.995 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.566 -5.366 5.190 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.133 -6.580 6.734 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.408 -6.484 5.090 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.986 -7.692 6.654 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.124 -7.655 5.822 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.925 -8.751 5.714 1.00 0.00 O ATOM 0 H TYR A 69 -6.726 -2.602 5.697 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.308 -3.021 4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.571 -4.687 5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.885 -4.260 6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.805 -4.463 4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.259 -6.619 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.277 -6.447 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.770 -8.579 7.231 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.579 -9.467 6.288 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.179 -1.593 7.522 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.980 -0.740 8.390 1.00 0.00 C ATOM 1085 C ALA A 70 -10.566 0.432 7.598 1.00 0.00 C ATOM 1086 O ALA A 70 -11.745 0.738 7.760 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.161 -0.218 9.578 1.00 0.00 C ATOM 0 H ALA A 70 -8.194 -1.644 7.782 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.796 -1.346 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.790 0.415 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.795 -1.060 10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.315 0.363 9.210 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.758 1.123 6.785 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.201 2.242 5.965 1.00 0.00 C ATOM 1095 C LEU A 71 -11.354 1.816 5.045 1.00 0.00 C ATOM 1096 O LEU A 71 -12.368 2.511 4.951 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.988 2.819 5.222 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.327 3.962 4.252 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.932 5.156 4.997 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.061 4.407 3.512 1.00 0.00 C ATOM 0 H LEU A 71 -8.765 0.913 6.681 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.610 3.040 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.266 3.181 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.502 2.017 4.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.062 3.594 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.162 5.950 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.847 4.845 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.218 5.525 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.307 5.217 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.321 4.754 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.654 3.567 2.950 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.215 0.660 4.390 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.252 0.035 3.570 1.00 0.00 C ATOM 1114 C ASP A 72 -13.491 -0.286 4.392 1.00 0.00 C ATOM 1115 O ASP A 72 -14.613 0.016 3.981 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.736 -1.242 2.894 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.863 -1.920 2.113 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.160 -1.460 0.991 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.475 -2.883 2.626 1.00 0.00 O ATOM 0 H ASP A 72 -10.351 0.118 4.418 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.522 0.755 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.913 -0.999 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.342 -1.926 3.646 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.294 -0.829 5.592 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.375 -1.163 6.511 1.00 0.00 C ATOM 1126 C ALA A 73 -15.112 0.102 6.961 1.00 0.00 C ATOM 1127 O ALA A 73 -16.288 0.043 7.317 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.829 -1.939 7.715 1.00 0.00 C ATOM 0 H ALA A 73 -12.367 -1.051 5.956 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.090 -1.800 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.647 -2.182 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.357 -2.860 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.093 -1.328 8.238 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.456 1.264 6.932 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.046 2.557 7.272 1.00 0.00 C ATOM 1136 C ARG A 74 -15.621 3.231 6.028 1.00 0.00 C ATOM 1137 O ARG A 74 -16.078 4.372 6.113 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.970 3.421 7.970 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.344 3.779 9.415 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.181 2.599 10.396 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.157 1.513 10.184 1.00 0.00 N ATOM 1142 CZ ARG A 74 -16.472 1.601 10.417 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -16.960 2.590 11.151 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -17.313 0.724 9.888 1.00 0.00 N ATOM 0 H ARG A 74 -13.474 1.332 6.664 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.881 2.424 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.021 2.885 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.820 4.338 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.722 4.609 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.378 4.124 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.174 2.194 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.279 2.970 11.416 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.801 0.624 9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -16.332 3.292 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.963 2.650 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.960 -0.028 9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.313 0.801 10.073 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.579 2.569 4.868 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.026 3.114 3.595 1.00 0.00 C ATOM 1160 C GLY A 75 -15.255 4.375 3.212 1.00 0.00 C ATOM 1161 O GLY A 75 -15.769 5.186 2.447 1.00 0.00 O ATOM 0 H GLY A 75 -15.223 1.616 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.903 2.362 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.090 3.343 3.652 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.062 4.590 3.776 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.240 5.760 3.488 1.00 0.00 C ATOM 1167 C GLY A 76 -12.249 5.482 2.363 1.00 0.00 C ATOM 1168 O GLY A 76 -11.553 6.395 1.922 1.00 0.00 O ATOM 0 H GLY A 76 -13.641 3.950 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.881 6.597 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.699 6.056 4.387 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.166 4.227 1.917 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.325 3.803 0.814 1.00 0.00 C ATOM 1174 C LEU A 77 -11.987 4.176 -0.509 1.00 0.00 C ATOM 1175 O LEU A 77 -11.384 4.848 -1.338 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.107 2.286 0.928 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.216 1.727 -0.186 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.845 2.401 -0.180 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.001 0.229 0.013 1.00 0.00 C ATOM 0 H LEU A 77 -12.700 3.462 2.330 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.357 4.303 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.656 2.060 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.073 1.782 0.901 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.719 1.920 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.232 1.986 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.966 3.473 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.357 2.225 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.366 -0.157 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.520 0.055 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.963 -0.283 -0.009 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.239 3.761 -0.681 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.076 3.951 -1.860 1.00 0.00 C ATOM 1193 C ASP A 78 -14.078 5.386 -2.394 1.00 0.00 C ATOM 1194 O ASP A 78 -13.755 5.576 -3.567 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.519 3.403 -1.714 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.765 2.242 -0.740 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.108 2.118 0.324 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.590 1.358 -1.064 1.00 0.00 O ATOM 0 H ASP A 78 -13.729 3.247 0.052 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.588 3.333 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.159 4.231 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.855 3.085 -2.701 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.366 6.429 -1.590 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.388 7.799 -2.086 1.00 0.00 C ATOM 1205 C PRO A 79 -12.990 8.327 -2.454 1.00 0.00 C ATOM 1206 O PRO A 79 -12.883 9.461 -2.929 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.074 8.611 -0.981 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.673 7.861 0.283 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.728 6.410 -0.181 1.00 0.00 C ATOM 0 HA PRO A 79 -14.933 7.876 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.729 9.645 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.156 8.638 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.678 8.142 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.360 8.053 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.038 5.790 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.725 5.992 -0.039 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.922 7.542 -2.270 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.568 7.811 -2.740 1.00 0.00 C ATOM 1219 C LEU A 80 -10.137 6.818 -3.836 1.00 0.00 C ATOM 1220 O LEU A 80 -9.051 6.988 -4.390 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.597 7.769 -1.546 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.780 8.902 -0.518 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -8.883 8.657 0.703 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.425 10.272 -1.108 1.00 0.00 C ATOM 0 H LEU A 80 -11.987 6.659 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.547 8.804 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.714 6.813 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.576 7.805 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.831 8.904 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.020 9.464 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.151 7.707 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.840 8.626 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.568 11.043 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.384 10.270 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.070 10.479 -1.962 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.959 5.819 -4.187 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.682 4.808 -5.215 1.00 0.00 C ATOM 1238 C LEU A 81 -11.730 4.740 -6.328 1.00 0.00 C ATOM 1239 O LEU A 81 -11.541 3.970 -7.272 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.404 3.423 -4.588 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.895 3.166 -4.429 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.614 1.854 -3.689 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.182 3.117 -5.797 1.00 0.00 C ATOM 0 H LEU A 81 -11.869 5.689 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.770 5.139 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.889 3.360 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.842 2.645 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.507 4.000 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.537 1.711 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.060 1.894 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.045 1.022 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.118 2.934 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.607 2.314 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.317 4.068 -6.312 1.00 0.00 H new