USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 91:sc= 1.45 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 0.318 (180deg=0.00888) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= 0.572 (180deg=-0.514) USER MOD Single : A 17 SER OG : rot 59:sc= 1.08 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -100:sc= 0.447 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.697 K(o=0.7,f=-0.14) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0175 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0741) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -63:sc= 1.03 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 23:sc= -0.642 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 0.308 (180deg=0.0302) USER MOD Single : A 85 HIS : no HD1:sc= -0.111 K(o=-0.11,f=-3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0275 K(o=-0.027,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -5.018 9.083 -4.146 1.00 0.00 N ATOM 34 CA VAL A 3 -4.180 7.907 -3.864 1.00 0.00 C ATOM 35 C VAL A 3 -2.996 7.810 -4.835 1.00 0.00 C ATOM 36 O VAL A 3 -3.105 7.316 -5.960 1.00 0.00 O ATOM 37 CB VAL A 3 -5.060 6.647 -3.818 1.00 0.00 C ATOM 38 CG1 VAL A 3 -4.263 5.350 -3.607 1.00 0.00 C ATOM 39 CG2 VAL A 3 -6.063 6.779 -2.668 1.00 0.00 C ATOM 0 HA VAL A 3 -3.722 8.010 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.553 6.577 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.947 4.502 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.553 5.222 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.722 5.405 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.691 5.889 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.525 6.885 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.688 7.657 -2.829 1.00 0.00 H new ATOM 49 N LYS A 4 -1.851 8.362 -4.430 1.00 0.00 N ATOM 50 CA LYS A 4 -0.707 8.454 -5.324 1.00 0.00 C ATOM 51 C LYS A 4 -0.145 7.053 -5.480 1.00 0.00 C ATOM 52 O LYS A 4 0.039 6.363 -4.478 1.00 0.00 O ATOM 53 CB LYS A 4 0.321 9.443 -4.760 1.00 0.00 C ATOM 54 CG LYS A 4 1.068 10.160 -5.897 1.00 0.00 C ATOM 55 CD LYS A 4 2.117 11.148 -5.384 1.00 0.00 C ATOM 56 CE LYS A 4 3.288 10.361 -4.787 1.00 0.00 C ATOM 57 NZ LYS A 4 4.300 11.223 -4.163 1.00 0.00 N ATOM 0 H LYS A 4 -1.696 8.747 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.991 8.835 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.181 10.176 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.033 8.913 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.553 9.418 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.349 10.691 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.466 11.784 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.681 11.804 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.907 9.661 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.758 9.768 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.066 10.635 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.688 11.874 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.863 11.771 -3.394 1.00 0.00 H new ATOM 71 N ILE A 5 0.139 6.639 -6.708 1.00 0.00 N ATOM 72 CA ILE A 5 0.840 5.400 -7.008 1.00 0.00 C ATOM 73 C ILE A 5 1.888 5.743 -8.069 1.00 0.00 C ATOM 74 O ILE A 5 1.563 6.434 -9.039 1.00 0.00 O ATOM 75 CB ILE A 5 -0.129 4.269 -7.441 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.296 4.069 -6.441 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.675 2.968 -7.583 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.234 2.892 -6.748 1.00 0.00 C ATOM 0 H ILE A 5 -0.118 7.168 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 5 1.329 4.998 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.581 4.551 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.878 3.927 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.887 4.984 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.009 2.160 -7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.452 3.101 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.135 2.718 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.014 2.841 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.690 3.036 -7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.664 1.963 -6.746 1.00 0.00 H new ATOM 90 N GLU A 6 3.130 5.290 -7.898 1.00 0.00 N ATOM 91 CA GLU A 6 4.182 5.403 -8.912 1.00 0.00 C ATOM 92 C GLU A 6 4.911 4.069 -9.033 1.00 0.00 C ATOM 93 O GLU A 6 4.706 3.174 -8.212 1.00 0.00 O ATOM 94 CB GLU A 6 5.193 6.538 -8.617 1.00 0.00 C ATOM 95 CG GLU A 6 4.591 7.878 -8.175 1.00 0.00 C ATOM 96 CD GLU A 6 5.575 9.064 -8.247 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.226 9.296 -9.293 1.00 0.00 O ATOM 98 OE2 GLU A 6 5.651 9.854 -7.276 1.00 0.00 O ATOM 0 H GLU A 6 3.439 4.829 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 6 3.697 5.660 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.876 6.196 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.789 6.708 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.726 8.099 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.229 7.782 -7.151 1.00 0.00 H new ATOM 105 N LYS A 7 5.791 3.931 -10.032 1.00 0.00 N ATOM 106 CA LYS A 7 6.631 2.744 -10.205 1.00 0.00 C ATOM 107 C LYS A 7 8.087 3.179 -10.025 1.00 0.00 C ATOM 108 O LYS A 7 8.712 3.618 -10.991 1.00 0.00 O ATOM 109 CB LYS A 7 6.365 1.972 -11.504 1.00 0.00 C ATOM 110 CG LYS A 7 4.969 2.101 -12.095 1.00 0.00 C ATOM 111 CD LYS A 7 3.898 1.515 -11.186 1.00 0.00 C ATOM 112 CE LYS A 7 2.605 2.317 -11.346 1.00 0.00 C ATOM 113 NZ LYS A 7 1.641 1.677 -12.265 1.00 0.00 N ATOM 0 H LYS A 7 5.940 4.644 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 7 6.376 2.007 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.085 2.304 -12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.562 0.916 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.751 3.153 -12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.938 1.596 -13.061 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.724 0.469 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.231 1.542 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.139 2.443 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.845 3.314 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.045 2.406 -12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.158 1.159 -13.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.041 1.014 -11.733 1.00 0.00 H new ATOM 127 N PRO A 8 8.599 3.241 -8.789 1.00 0.00 N ATOM 128 CA PRO A 8 9.942 3.743 -8.536 1.00 0.00 C ATOM 129 C PRO A 8 10.994 2.710 -8.948 1.00 0.00 C ATOM 130 O PRO A 8 10.711 1.513 -9.026 1.00 0.00 O ATOM 131 CB PRO A 8 9.975 4.026 -7.036 1.00 0.00 C ATOM 132 CG PRO A 8 8.959 3.043 -6.453 1.00 0.00 C ATOM 133 CD PRO A 8 7.919 2.881 -7.557 1.00 0.00 C ATOM 0 HA PRO A 8 10.171 4.638 -9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.970 3.865 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.702 5.059 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.425 2.090 -6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.511 3.429 -5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.548 1.857 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.058 3.525 -7.382 1.00 0.00 H new ATOM 141 N THR A 9 12.226 3.163 -9.171 1.00 0.00 N ATOM 142 CA THR A 9 13.369 2.276 -9.369 1.00 0.00 C ATOM 143 C THR A 9 13.612 1.498 -8.067 1.00 0.00 C ATOM 144 O THR A 9 13.536 2.086 -6.983 1.00 0.00 O ATOM 145 CB THR A 9 14.590 3.099 -9.824 1.00 0.00 C ATOM 146 OG1 THR A 9 15.790 2.358 -9.791 1.00 0.00 O ATOM 147 CG2 THR A 9 14.804 4.356 -8.983 1.00 0.00 C ATOM 0 H THR A 9 12.459 4.155 -9.219 1.00 0.00 H new ATOM 0 HA THR A 9 13.177 1.548 -10.157 1.00 0.00 H new ATOM 0 HB THR A 9 14.355 3.378 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.532 2.924 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.678 4.895 -9.350 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.925 4.997 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.962 4.075 -7.942 1.00 0.00 H new ATOM 155 N PRO A 10 14.014 0.217 -8.133 1.00 0.00 N ATOM 156 CA PRO A 10 14.206 -0.584 -6.933 1.00 0.00 C ATOM 157 C PRO A 10 15.428 -0.141 -6.124 1.00 0.00 C ATOM 158 O PRO A 10 15.442 -0.337 -4.911 1.00 0.00 O ATOM 159 CB PRO A 10 14.318 -2.028 -7.423 1.00 0.00 C ATOM 160 CG PRO A 10 14.852 -1.880 -8.848 1.00 0.00 C ATOM 161 CD PRO A 10 14.185 -0.596 -9.329 1.00 0.00 C ATOM 0 HA PRO A 10 13.374 -0.466 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.995 -2.612 -6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.353 -2.534 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.939 -1.802 -8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.583 -2.733 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.802 -0.085 -10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.226 -0.804 -9.804 1.00 0.00 H new ATOM 169 N GLU A 11 16.413 0.492 -6.765 1.00 0.00 N ATOM 170 CA GLU A 11 17.606 1.056 -6.136 1.00 0.00 C ATOM 171 C GLU A 11 17.238 2.181 -5.165 1.00 0.00 C ATOM 172 O GLU A 11 17.763 2.229 -4.053 1.00 0.00 O ATOM 173 CB GLU A 11 18.512 1.599 -7.254 1.00 0.00 C ATOM 174 CG GLU A 11 19.543 0.577 -7.720 1.00 0.00 C ATOM 175 CD GLU A 11 20.805 0.652 -6.861 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.704 0.559 -5.619 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.894 0.904 -7.425 1.00 0.00 O ATOM 0 H GLU A 11 16.399 0.630 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 11 18.119 0.285 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.896 1.901 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.026 2.492 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.119 -0.426 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.797 0.759 -8.764 1.00 0.00 H new ATOM 184 N LYS A 12 16.298 3.061 -5.541 1.00 0.00 N ATOM 185 CA LYS A 12 15.822 4.102 -4.624 1.00 0.00 C ATOM 186 C LYS A 12 15.269 3.441 -3.367 1.00 0.00 C ATOM 187 O LYS A 12 15.521 3.890 -2.252 1.00 0.00 O ATOM 188 CB LYS A 12 14.747 4.979 -5.300 1.00 0.00 C ATOM 189 CG LYS A 12 14.234 6.119 -4.401 1.00 0.00 C ATOM 190 CD LYS A 12 15.237 7.272 -4.324 1.00 0.00 C ATOM 191 CE LYS A 12 15.049 8.124 -3.070 1.00 0.00 C ATOM 192 NZ LYS A 12 15.896 9.331 -3.142 1.00 0.00 N ATOM 0 H LYS A 12 15.859 3.072 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 12 16.654 4.753 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.159 5.405 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.906 4.350 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.284 6.488 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.043 5.735 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.250 6.870 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.131 7.902 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.002 8.411 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.306 7.543 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.760 9.902 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.895 9.050 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.631 9.892 -3.977 1.00 0.00 H new ATOM 206 N LEU A 13 14.499 2.374 -3.550 1.00 0.00 N ATOM 207 CA LEU A 13 13.845 1.679 -2.454 1.00 0.00 C ATOM 208 C LEU A 13 14.874 1.002 -1.552 1.00 0.00 C ATOM 209 O LEU A 13 14.645 0.902 -0.345 1.00 0.00 O ATOM 210 CB LEU A 13 12.861 0.655 -3.021 1.00 0.00 C ATOM 211 CG LEU A 13 11.488 1.232 -3.397 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.610 1.452 -2.176 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.525 2.543 -4.179 1.00 0.00 C ATOM 0 H LEU A 13 14.312 1.968 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 13 13.299 2.401 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.303 0.196 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.719 -0.139 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 13 11.072 0.466 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.649 1.861 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.452 0.502 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.099 2.151 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.507 2.866 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.030 3.306 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.065 2.394 -5.114 1.00 0.00 H new ATOM 225 N LYS A 14 16.021 0.562 -2.087 1.00 0.00 N ATOM 226 CA LYS A 14 17.130 0.129 -1.252 1.00 0.00 C ATOM 227 C LYS A 14 17.562 1.280 -0.347 1.00 0.00 C ATOM 228 O LYS A 14 17.598 1.105 0.870 1.00 0.00 O ATOM 229 CB LYS A 14 18.300 -0.401 -2.094 1.00 0.00 C ATOM 230 CG LYS A 14 17.886 -1.524 -3.057 1.00 0.00 C ATOM 231 CD LYS A 14 19.004 -2.530 -3.321 1.00 0.00 C ATOM 232 CE LYS A 14 20.199 -2.056 -4.156 1.00 0.00 C ATOM 233 NZ LYS A 14 21.127 -1.154 -3.443 1.00 0.00 N ATOM 0 H LYS A 14 16.197 0.500 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 14 16.798 -0.702 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.730 0.421 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.081 -0.770 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.024 -2.048 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.570 -1.085 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.382 -2.874 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.567 -3.395 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.754 -2.929 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.826 -1.545 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.098 -0.210 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.844 -1.083 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 22.094 -1.533 -3.502 1.00 0.00 H new ATOM 247 N GLU A 15 17.832 2.450 -0.933 1.00 0.00 N ATOM 248 CA GLU A 15 18.372 3.616 -0.223 1.00 0.00 C ATOM 249 C GLU A 15 17.453 4.045 0.914 1.00 0.00 C ATOM 250 O GLU A 15 17.905 4.265 2.038 1.00 0.00 O ATOM 251 CB GLU A 15 18.572 4.822 -1.153 1.00 0.00 C ATOM 252 CG GLU A 15 19.592 4.602 -2.274 1.00 0.00 C ATOM 253 CD GLU A 15 20.779 5.559 -2.170 1.00 0.00 C ATOM 254 OE1 GLU A 15 20.560 6.778 -2.357 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.900 5.112 -1.842 1.00 0.00 O ATOM 0 H GLU A 15 17.680 2.617 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 15 19.339 3.303 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.612 5.083 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.888 5.677 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.952 3.574 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.103 4.735 -3.239 1.00 0.00 H new ATOM 262 N LEU A 16 16.150 4.128 0.628 1.00 0.00 N ATOM 263 CA LEU A 16 15.115 4.541 1.574 1.00 0.00 C ATOM 264 C LEU A 16 15.011 3.623 2.799 1.00 0.00 C ATOM 265 O LEU A 16 14.311 3.958 3.754 1.00 0.00 O ATOM 266 CB LEU A 16 13.772 4.655 0.838 1.00 0.00 C ATOM 267 CG LEU A 16 13.704 5.804 -0.186 1.00 0.00 C ATOM 268 CD1 LEU A 16 12.326 5.819 -0.847 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.986 7.172 0.435 1.00 0.00 C ATOM 0 H LEU A 16 15.778 3.903 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 16 15.398 5.516 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.572 3.715 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.979 4.792 1.573 1.00 0.00 H new ATOM 0 HG LEU A 16 14.483 5.620 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.279 6.632 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.156 4.870 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.559 5.966 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.924 7.941 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.250 7.377 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.985 7.175 0.871 1.00 0.00 H new ATOM 281 N SER A 17 15.765 2.522 2.808 1.00 0.00 N ATOM 282 CA SER A 17 16.019 1.664 3.953 1.00 0.00 C ATOM 283 C SER A 17 14.705 1.048 4.439 1.00 0.00 C ATOM 284 O SER A 17 14.458 0.926 5.634 1.00 0.00 O ATOM 285 CB SER A 17 16.824 2.445 5.004 1.00 0.00 C ATOM 286 OG SER A 17 18.042 2.935 4.442 1.00 0.00 O ATOM 0 H SER A 17 16.238 2.192 1.967 1.00 0.00 H new ATOM 0 HA SER A 17 16.644 0.810 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.230 3.278 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.043 1.800 5.855 1.00 0.00 H new ATOM 0 HG SER A 17 17.840 3.517 3.680 1.00 0.00 H new ATOM 292 N VAL A 18 13.880 0.644 3.474 1.00 0.00 N ATOM 293 CA VAL A 18 12.607 -0.038 3.610 1.00 0.00 C ATOM 294 C VAL A 18 12.788 -1.360 4.360 1.00 0.00 C ATOM 295 O VAL A 18 11.922 -1.740 5.139 1.00 0.00 O ATOM 296 CB VAL A 18 11.991 -0.207 2.206 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.592 -0.807 2.249 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.897 1.139 1.468 1.00 0.00 C ATOM 0 H VAL A 18 14.112 0.803 2.493 1.00 0.00 H new ATOM 0 HA VAL A 18 11.911 0.549 4.210 1.00 0.00 H new ATOM 0 HB VAL A 18 12.659 -0.887 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.206 -0.904 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.632 -1.790 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.935 -0.157 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.459 0.984 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.271 1.824 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.895 1.564 1.358 1.00 0.00 H new ATOM 308 N GLU A 19 13.948 -2.006 4.239 1.00 0.00 N ATOM 309 CA GLU A 19 14.325 -3.164 5.052 1.00 0.00 C ATOM 310 C GLU A 19 14.325 -2.858 6.569 1.00 0.00 C ATOM 311 O GLU A 19 14.290 -3.780 7.390 1.00 0.00 O ATOM 312 CB GLU A 19 15.693 -3.687 4.574 1.00 0.00 C ATOM 313 CG GLU A 19 16.794 -2.612 4.624 1.00 0.00 C ATOM 314 CD GLU A 19 18.203 -3.132 4.301 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.506 -4.344 4.451 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.065 -2.297 3.940 1.00 0.00 O ATOM 0 H GLU A 19 14.663 -1.736 3.564 1.00 0.00 H new ATOM 0 HA GLU A 19 13.572 -3.940 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.990 -4.533 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.599 -4.057 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.542 -1.819 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.804 -2.165 5.618 1.00 0.00 H new ATOM 323 N LYS A 20 14.327 -1.578 6.960 1.00 0.00 N ATOM 324 CA LYS A 20 14.305 -1.112 8.348 1.00 0.00 C ATOM 325 C LYS A 20 12.919 -0.631 8.769 1.00 0.00 C ATOM 326 O LYS A 20 12.747 -0.208 9.914 1.00 0.00 O ATOM 327 CB LYS A 20 15.368 -0.021 8.581 1.00 0.00 C ATOM 328 CG LYS A 20 16.709 -0.410 7.946 1.00 0.00 C ATOM 329 CD LYS A 20 17.884 0.454 8.396 1.00 0.00 C ATOM 330 CE LYS A 20 19.107 -0.008 7.602 1.00 0.00 C ATOM 331 NZ LYS A 20 20.295 0.834 7.833 1.00 0.00 N ATOM 0 H LYS A 20 14.345 -0.809 6.290 1.00 0.00 H new ATOM 0 HA LYS A 20 14.551 -1.966 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.023 0.923 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.502 0.138 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.924 -1.451 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.618 -0.345 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.680 1.509 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.055 0.345 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.340 -1.038 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.866 -0.003 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.091 0.473 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.087 1.813 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.546 0.811 8.842 1.00 0.00 H new ATOM 345 N TRP A 21 11.949 -0.644 7.858 1.00 0.00 N ATOM 346 CA TRP A 21 10.577 -0.252 8.125 1.00 0.00 C ATOM 347 C TRP A 21 9.856 -1.461 8.751 1.00 0.00 C ATOM 348 O TRP A 21 10.364 -2.587 8.673 1.00 0.00 O ATOM 349 CB TRP A 21 9.916 0.211 6.813 1.00 0.00 C ATOM 350 CG TRP A 21 10.500 1.419 6.135 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.670 2.023 6.450 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.970 2.174 4.997 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.923 3.043 5.571 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.906 3.196 4.660 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.800 2.103 4.206 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.703 4.089 3.601 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.552 3.035 3.174 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.495 4.042 2.884 1.00 0.00 C ATOM 0 H TRP A 21 12.104 -0.935 6.893 1.00 0.00 H new ATOM 0 HA TRP A 21 10.524 0.584 8.823 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.948 -0.620 6.108 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.865 0.415 7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.310 1.742 7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.765 3.619 5.591 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.081 1.320 4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.466 4.806 3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.636 2.976 2.605 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.290 4.773 2.116 1.00 0.00 H new ATOM 369 N PRO A 22 8.675 -1.284 9.361 1.00 0.00 N ATOM 370 CA PRO A 22 7.844 -2.408 9.773 1.00 0.00 C ATOM 371 C PRO A 22 7.270 -3.150 8.555 1.00 0.00 C ATOM 372 O PRO A 22 6.888 -2.548 7.542 1.00 0.00 O ATOM 373 CB PRO A 22 6.754 -1.795 10.656 1.00 0.00 C ATOM 374 CG PRO A 22 6.641 -0.359 10.159 1.00 0.00 C ATOM 375 CD PRO A 22 8.077 -0.022 9.767 1.00 0.00 C ATOM 0 HA PRO A 22 8.409 -3.164 10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.809 -2.329 10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.027 -1.832 11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.961 -0.277 9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.266 0.309 10.935 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.102 0.704 8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.619 0.418 10.604 1.00 0.00 H new ATOM 383 N ILE A 23 7.182 -4.477 8.666 1.00 0.00 N ATOM 384 CA ILE A 23 6.378 -5.307 7.777 1.00 0.00 C ATOM 385 C ILE A 23 4.932 -5.180 8.263 1.00 0.00 C ATOM 386 O ILE A 23 4.676 -4.978 9.455 1.00 0.00 O ATOM 387 CB ILE A 23 6.878 -6.779 7.810 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.336 -6.861 7.299 1.00 0.00 C ATOM 389 CG2 ILE A 23 5.981 -7.732 6.988 1.00 0.00 C ATOM 390 CD1 ILE A 23 8.929 -8.268 7.343 1.00 0.00 C ATOM 0 H ILE A 23 7.674 -5.008 9.385 1.00 0.00 H new ATOM 0 HA ILE A 23 6.456 -4.985 6.739 1.00 0.00 H new ATOM 0 HB ILE A 23 6.830 -7.105 8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.372 -6.494 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.958 -6.196 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.377 -8.746 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.968 -7.715 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.964 -7.409 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.953 -8.243 6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.927 -8.632 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.331 -8.934 6.721 1.00 0.00 H new ATOM 402 N TRP A 24 3.978 -5.339 7.345 1.00 0.00 N ATOM 403 CA TRP A 24 2.638 -5.774 7.696 1.00 0.00 C ATOM 404 C TRP A 24 2.174 -6.776 6.640 1.00 0.00 C ATOM 405 O TRP A 24 2.459 -6.612 5.447 1.00 0.00 O ATOM 406 CB TRP A 24 1.716 -4.558 7.828 1.00 0.00 C ATOM 407 CG TRP A 24 0.264 -4.849 8.030 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.421 -4.738 9.187 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.724 -5.201 7.024 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.751 -5.020 8.955 1.00 0.00 N ATOM 411 CE2 TRP A 24 -2.006 -5.270 7.627 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.658 -5.414 5.640 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -3.173 -5.502 6.882 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.803 -5.645 4.870 1.00 0.00 C ATOM 415 CH2 TRP A 24 -3.059 -5.675 5.491 1.00 0.00 C ATOM 0 H TRP A 24 4.116 -5.170 6.349 1.00 0.00 H new ATOM 0 HA TRP A 24 2.618 -6.274 8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.064 -3.954 8.666 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.822 -3.949 6.930 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.005 -4.471 10.143 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.464 -5.041 9.685 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.306 -5.399 5.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.137 -5.547 7.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.720 -5.799 3.804 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.947 -5.832 4.896 1.00 0.00 H new ATOM 426 N GLU A 25 1.406 -7.780 7.053 1.00 0.00 N ATOM 427 CA GLU A 25 0.796 -8.773 6.181 1.00 0.00 C ATOM 428 C GLU A 25 -0.570 -9.192 6.732 1.00 0.00 C ATOM 429 O GLU A 25 -0.894 -8.942 7.903 1.00 0.00 O ATOM 430 CB GLU A 25 1.747 -9.958 5.969 1.00 0.00 C ATOM 431 CG GLU A 25 2.410 -10.499 7.248 1.00 0.00 C ATOM 432 CD GLU A 25 3.113 -11.832 7.002 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.434 -12.775 6.532 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.332 -11.951 7.277 1.00 0.00 O ATOM 0 H GLU A 25 1.185 -7.928 8.038 1.00 0.00 H new ATOM 0 HA GLU A 25 0.620 -8.337 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.193 -10.768 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.529 -9.656 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.131 -9.771 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.655 -10.624 8.024 1.00 0.00 H new ATOM 441 N LYS A 26 -1.398 -9.813 5.887 1.00 0.00 N ATOM 442 CA LYS A 26 -2.765 -10.212 6.212 1.00 0.00 C ATOM 443 C LYS A 26 -3.158 -11.343 5.281 1.00 0.00 C ATOM 444 O LYS A 26 -2.629 -11.438 4.172 1.00 0.00 O ATOM 445 CB LYS A 26 -3.703 -9.014 5.986 1.00 0.00 C ATOM 446 CG LYS A 26 -4.829 -8.833 7.013 1.00 0.00 C ATOM 447 CD LYS A 26 -6.199 -9.386 6.602 1.00 0.00 C ATOM 448 CE LYS A 26 -7.205 -8.946 7.675 1.00 0.00 C ATOM 449 NZ LYS A 26 -8.470 -9.713 7.641 1.00 0.00 N ATOM 0 H LYS A 26 -1.127 -10.057 4.935 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.836 -10.535 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.101 -8.105 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.153 -9.112 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.528 -9.314 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.936 -7.769 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.490 -9.006 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.168 -10.473 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.748 -9.056 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.427 -7.887 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.105 -9.368 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.926 -9.589 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.269 -10.722 7.796 1.00 0.00 H new ATOM 463 N GLU A 27 -4.132 -12.133 5.716 1.00 0.00 N ATOM 464 CA GLU A 27 -4.707 -13.191 4.909 1.00 0.00 C ATOM 465 C GLU A 27 -5.471 -12.650 3.716 1.00 0.00 C ATOM 466 O GLU A 27 -5.827 -11.472 3.642 1.00 0.00 O ATOM 467 CB GLU A 27 -5.628 -14.075 5.747 1.00 0.00 C ATOM 468 CG GLU A 27 -5.124 -15.495 5.979 1.00 0.00 C ATOM 469 CD GLU A 27 -3.719 -15.518 6.593 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.588 -15.473 7.839 1.00 0.00 O ATOM 471 OE2 GLU A 27 -2.747 -15.517 5.809 1.00 0.00 O ATOM 0 H GLU A 27 -4.545 -12.053 6.645 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.874 -13.786 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.782 -13.598 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.601 -14.126 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.815 -16.021 6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.114 -16.034 5.032 1.00 0.00 H new ATOM 478 N VAL A 28 -5.793 -13.600 2.850 1.00 0.00 N ATOM 479 CA VAL A 28 -6.542 -13.483 1.606 1.00 0.00 C ATOM 480 C VAL A 28 -8.040 -13.322 1.928 1.00 0.00 C ATOM 481 O VAL A 28 -8.872 -14.182 1.632 1.00 0.00 O ATOM 482 CB VAL A 28 -6.125 -14.661 0.687 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.293 -16.065 1.299 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.788 -14.613 -0.692 1.00 0.00 C ATOM 0 H VAL A 28 -5.509 -14.565 3.017 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.311 -12.586 1.032 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.053 -14.502 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.974 -16.817 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.684 -16.145 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.340 -16.228 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.455 -15.464 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.871 -14.653 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.511 -13.688 -1.197 1.00 0.00 H new ATOM 494 N SER A 29 -8.374 -12.228 2.609 1.00 0.00 N ATOM 495 CA SER A 29 -9.689 -11.874 3.124 1.00 0.00 C ATOM 496 C SER A 29 -10.003 -10.436 2.676 1.00 0.00 C ATOM 497 O SER A 29 -9.403 -9.918 1.734 1.00 0.00 O ATOM 498 CB SER A 29 -9.676 -12.072 4.650 1.00 0.00 C ATOM 499 OG SER A 29 -10.982 -12.055 5.206 1.00 0.00 O ATOM 0 H SER A 29 -7.679 -11.515 2.830 1.00 0.00 H new ATOM 0 HA SER A 29 -10.485 -12.508 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.195 -13.021 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.077 -11.287 5.111 1.00 0.00 H new ATOM 0 HG SER A 29 -10.926 -12.186 6.176 1.00 0.00 H new ATOM 505 N GLU A 30 -10.967 -9.772 3.304 1.00 0.00 N ATOM 506 CA GLU A 30 -11.334 -8.399 2.983 1.00 0.00 C ATOM 507 C GLU A 30 -11.800 -7.670 4.235 1.00 0.00 C ATOM 508 O GLU A 30 -12.101 -8.310 5.245 1.00 0.00 O ATOM 509 CB GLU A 30 -12.360 -8.371 1.842 1.00 0.00 C ATOM 510 CG GLU A 30 -13.592 -9.275 2.006 1.00 0.00 C ATOM 511 CD GLU A 30 -14.883 -8.520 2.307 1.00 0.00 C ATOM 512 OE1 GLU A 30 -15.548 -8.083 1.338 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.284 -8.419 3.486 1.00 0.00 O ATOM 0 H GLU A 30 -11.521 -10.177 4.058 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.459 -7.860 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.704 -7.344 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.852 -8.651 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.728 -9.855 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.403 -9.986 2.811 1.00 0.00 H new ATOM 520 N PHE A 31 -11.758 -6.338 4.173 1.00 0.00 N ATOM 521 CA PHE A 31 -11.975 -5.405 5.272 1.00 0.00 C ATOM 522 C PHE A 31 -12.043 -3.979 4.693 1.00 0.00 C ATOM 523 O PHE A 31 -12.289 -3.796 3.496 1.00 0.00 O ATOM 524 CB PHE A 31 -10.908 -5.595 6.375 1.00 0.00 C ATOM 525 CG PHE A 31 -9.455 -5.448 5.957 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.741 -6.538 5.420 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.797 -4.223 6.161 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.389 -6.379 5.067 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.460 -4.052 5.781 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.763 -5.132 5.227 1.00 0.00 C ATOM 0 H PHE A 31 -11.559 -5.855 3.297 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.925 -5.600 5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.108 -4.874 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.038 -6.588 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.230 -7.491 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.330 -3.402 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.832 -7.216 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.972 -3.098 5.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.735 -5.005 4.920 1.00 0.00 H new ATOM 540 N ASP A 32 -11.917 -2.951 5.530 1.00 0.00 N ATOM 541 CA ASP A 32 -11.764 -1.543 5.170 1.00 0.00 C ATOM 542 C ASP A 32 -10.615 -0.980 6.005 1.00 0.00 C ATOM 543 O ASP A 32 -10.394 -1.437 7.133 1.00 0.00 O ATOM 544 CB ASP A 32 -13.049 -0.754 5.461 1.00 0.00 C ATOM 545 CG ASP A 32 -13.307 -0.563 6.963 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.844 -1.494 7.607 1.00 0.00 O ATOM 547 OD2 ASP A 32 -12.938 0.494 7.526 1.00 0.00 O ATOM 0 H ASP A 32 -11.919 -3.088 6.541 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.558 -1.455 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.986 0.223 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.897 -1.274 5.015 1.00 0.00 H new ATOM 552 N TRP A 33 -9.889 0.013 5.494 1.00 0.00 N ATOM 553 CA TRP A 33 -8.856 0.700 6.262 1.00 0.00 C ATOM 554 C TRP A 33 -9.068 2.208 6.237 1.00 0.00 C ATOM 555 O TRP A 33 -9.565 2.760 5.249 1.00 0.00 O ATOM 556 CB TRP A 33 -7.456 0.314 5.766 1.00 0.00 C ATOM 557 CG TRP A 33 -6.381 0.569 6.779 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.493 1.590 6.775 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.156 -0.146 8.029 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.697 1.523 7.904 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.085 0.487 8.725 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.793 -1.229 8.672 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.665 0.054 9.989 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.392 -1.657 9.952 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.328 -1.016 10.611 1.00 0.00 C ATOM 0 H TRP A 33 -10.000 0.361 4.542 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.934 0.379 7.301 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.451 -0.743 5.498 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.232 0.874 4.858 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.417 2.344 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.924 2.158 8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.603 -1.739 8.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.836 0.540 10.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.903 -2.480 10.429 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.022 -1.346 11.593 1.00 0.00 H new ATOM 576 N TYR A 34 -8.636 2.869 7.312 1.00 0.00 N ATOM 577 CA TYR A 34 -8.565 4.309 7.419 1.00 0.00 C ATOM 578 C TYR A 34 -7.121 4.721 7.689 1.00 0.00 C ATOM 579 O TYR A 34 -6.513 4.288 8.674 1.00 0.00 O ATOM 580 CB TYR A 34 -9.511 4.842 8.493 1.00 0.00 C ATOM 581 CG TYR A 34 -9.537 6.358 8.489 1.00 0.00 C ATOM 582 CD1 TYR A 34 -10.355 7.045 7.578 1.00 0.00 C ATOM 583 CD2 TYR A 34 -8.731 7.088 9.375 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.387 8.450 7.545 1.00 0.00 C ATOM 585 CE2 TYR A 34 -8.771 8.491 9.361 1.00 0.00 C ATOM 586 CZ TYR A 34 -9.595 9.181 8.452 1.00 0.00 C ATOM 587 OH TYR A 34 -9.657 10.540 8.476 1.00 0.00 O ATOM 0 H TYR A 34 -8.317 2.391 8.155 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.890 4.750 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.516 4.457 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.195 4.483 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.971 6.484 6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.081 6.572 10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.013 8.964 6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.162 9.048 10.057 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.047 10.883 9.162 1.00 0.00 H new ATOM 597 N TYR A 35 -6.575 5.552 6.807 1.00 0.00 N ATOM 598 CA TYR A 35 -5.263 6.163 6.936 1.00 0.00 C ATOM 599 C TYR A 35 -5.450 7.501 7.638 1.00 0.00 C ATOM 600 O TYR A 35 -6.153 8.368 7.111 1.00 0.00 O ATOM 601 CB TYR A 35 -4.638 6.341 5.545 1.00 0.00 C ATOM 602 CG TYR A 35 -4.513 5.028 4.798 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.436 4.171 5.073 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.525 4.612 3.913 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.361 2.909 4.463 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.455 3.353 3.290 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.372 2.490 3.567 1.00 0.00 C ATOM 608 OH TYR A 35 -4.343 1.249 3.010 1.00 0.00 O ATOM 0 H TYR A 35 -7.056 5.827 5.950 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.588 5.536 7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.247 7.032 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.652 6.793 5.648 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.661 4.484 5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.362 5.264 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.528 2.256 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.228 3.047 2.601 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.984 1.307 2.100 1.00 0.00 H new ATOM 618 N ASP A 36 -4.827 7.665 8.807 1.00 0.00 N ATOM 619 CA ASP A 36 -4.828 8.910 9.584 1.00 0.00 C ATOM 620 C ASP A 36 -3.408 9.479 9.717 1.00 0.00 C ATOM 621 O ASP A 36 -3.170 10.373 10.534 1.00 0.00 O ATOM 622 CB ASP A 36 -5.513 8.723 10.953 1.00 0.00 C ATOM 623 CG ASP A 36 -6.225 9.992 11.464 1.00 0.00 C ATOM 624 OD1 ASP A 36 -5.860 11.141 11.121 1.00 0.00 O ATOM 625 OD2 ASP A 36 -7.236 9.883 12.193 1.00 0.00 O ATOM 0 H ASP A 36 -4.294 6.918 9.252 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.419 9.645 9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.239 7.913 10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.766 8.416 11.685 1.00 0.00 H new ATOM 630 N THR A 37 -2.445 8.967 8.946 1.00 0.00 N ATOM 631 CA THR A 37 -1.203 9.655 8.613 1.00 0.00 C ATOM 632 C THR A 37 -0.781 9.340 7.184 1.00 0.00 C ATOM 633 O THR A 37 -1.399 8.519 6.509 1.00 0.00 O ATOM 634 CB THR A 37 -0.086 9.479 9.674 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.361 8.530 10.694 1.00 0.00 O ATOM 636 CG2 THR A 37 0.096 10.848 10.339 1.00 0.00 C ATOM 0 H THR A 37 -2.513 8.039 8.528 1.00 0.00 H new ATOM 0 HA THR A 37 -1.400 10.726 8.648 1.00 0.00 H new ATOM 0 HB THR A 37 0.796 9.104 9.155 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.397 8.486 11.313 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.875 10.783 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.384 11.583 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.841 11.154 10.805 1.00 0.00 H new ATOM 644 N ASN A 38 0.231 10.066 6.701 1.00 0.00 N ATOM 645 CA ASN A 38 0.943 9.727 5.483 1.00 0.00 C ATOM 646 C ASN A 38 1.530 8.355 5.794 1.00 0.00 C ATOM 647 O ASN A 38 2.284 8.222 6.753 1.00 0.00 O ATOM 648 CB ASN A 38 2.052 10.752 5.180 1.00 0.00 C ATOM 649 CG ASN A 38 1.678 12.215 5.362 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.235 12.883 4.426 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.871 12.762 6.548 1.00 0.00 N ATOM 0 H ASN A 38 0.576 10.912 7.155 1.00 0.00 H new ATOM 0 HA ASN A 38 0.303 9.728 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.906 10.534 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.381 10.607 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.653 13.747 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.238 12.199 7.315 1.00 0.00 H new ATOM 658 N GLU A 39 1.136 7.321 5.065 1.00 0.00 N ATOM 659 CA GLU A 39 1.460 5.940 5.391 1.00 0.00 C ATOM 660 C GLU A 39 2.005 5.294 4.126 1.00 0.00 C ATOM 661 O GLU A 39 1.246 4.660 3.380 1.00 0.00 O ATOM 662 CB GLU A 39 0.200 5.249 5.937 1.00 0.00 C ATOM 663 CG GLU A 39 0.527 3.800 6.313 1.00 0.00 C ATOM 664 CD GLU A 39 -0.582 3.084 7.097 1.00 0.00 C ATOM 665 OE1 GLU A 39 -1.338 3.721 7.870 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.724 1.860 6.879 1.00 0.00 O ATOM 0 H GLU A 39 0.575 7.419 4.219 1.00 0.00 H new ATOM 0 HA GLU A 39 2.219 5.857 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.172 5.786 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.592 5.271 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.732 3.238 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.441 3.789 6.907 1.00 0.00 H new ATOM 673 N THR A 40 3.256 5.582 3.760 1.00 0.00 N ATOM 674 CA THR A 40 3.796 5.062 2.510 1.00 0.00 C ATOM 675 C THR A 40 3.842 3.552 2.618 1.00 0.00 C ATOM 676 O THR A 40 4.122 3.031 3.700 1.00 0.00 O ATOM 677 CB THR A 40 5.191 5.643 2.197 1.00 0.00 C ATOM 678 OG1 THR A 40 5.055 7.010 1.902 1.00 0.00 O ATOM 679 CG2 THR A 40 5.864 5.026 0.966 1.00 0.00 C ATOM 0 H THR A 40 3.899 6.160 4.301 1.00 0.00 H new ATOM 0 HA THR A 40 3.153 5.363 1.682 1.00 0.00 H new ATOM 0 HB THR A 40 5.800 5.433 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.156 7.534 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.839 5.488 0.815 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.990 3.954 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.242 5.196 0.087 1.00 0.00 H new ATOM 687 N CYS A 41 3.610 2.843 1.514 1.00 0.00 N ATOM 688 CA CYS A 41 3.923 1.433 1.484 1.00 0.00 C ATOM 689 C CYS A 41 4.406 0.977 0.115 1.00 0.00 C ATOM 690 O CYS A 41 4.056 1.553 -0.917 1.00 0.00 O ATOM 691 CB CYS A 41 2.729 0.613 1.958 1.00 0.00 C ATOM 692 SG CYS A 41 1.270 0.865 0.914 1.00 0.00 S ATOM 0 H CYS A 41 3.215 3.219 0.652 1.00 0.00 H new ATOM 0 HA CYS A 41 4.751 1.265 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.994 -0.444 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.489 0.884 2.986 1.00 0.00 H new ATOM 0 HG CYS A 41 0.286 0.142 1.361 1.00 0.00 H new ATOM 698 N TYR A 42 5.198 -0.091 0.139 1.00 0.00 N ATOM 699 CA TYR A 42 5.854 -0.700 -1.004 1.00 0.00 C ATOM 700 C TYR A 42 5.451 -2.169 -1.046 1.00 0.00 C ATOM 701 O TYR A 42 5.753 -2.914 -0.111 1.00 0.00 O ATOM 702 CB TYR A 42 7.369 -0.521 -0.853 1.00 0.00 C ATOM 703 CG TYR A 42 8.192 -1.001 -2.031 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.012 -0.453 -3.318 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.178 -1.977 -1.824 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.804 -0.886 -4.400 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.020 -2.356 -2.882 1.00 0.00 C ATOM 708 CZ TYR A 42 9.838 -1.825 -4.177 1.00 0.00 C ATOM 709 OH TYR A 42 10.698 -2.161 -5.183 1.00 0.00 O ATOM 0 H TYR A 42 5.408 -0.580 1.009 1.00 0.00 H new ATOM 0 HA TYR A 42 5.557 -0.232 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.580 0.536 -0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.695 -1.054 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.260 0.306 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.289 -2.436 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.623 -0.503 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.817 -3.063 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 42 11.346 -2.818 -4.854 1.00 0.00 H new ATOM 719 N ILE A 43 4.692 -2.552 -2.071 1.00 0.00 N ATOM 720 CA ILE A 43 4.291 -3.911 -2.388 1.00 0.00 C ATOM 721 C ILE A 43 5.539 -4.653 -2.861 1.00 0.00 C ATOM 722 O ILE A 43 6.320 -4.141 -3.661 1.00 0.00 O ATOM 723 CB ILE A 43 3.213 -3.929 -3.501 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.141 -2.823 -3.382 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.545 -5.316 -3.545 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.304 -2.885 -2.105 1.00 0.00 C ATOM 0 H ILE A 43 4.321 -1.877 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 43 3.859 -4.387 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 43 3.738 -3.719 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.633 -1.851 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.474 -2.887 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.786 -5.330 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.298 -6.076 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.077 -5.525 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.578 -2.072 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.780 -3.840 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.956 -2.788 -1.237 1.00 0.00 H new ATOM 738 N LEU A 44 5.702 -5.882 -2.386 1.00 0.00 N ATOM 739 CA LEU A 44 6.905 -6.684 -2.576 1.00 0.00 C ATOM 740 C LEU A 44 6.515 -8.010 -3.199 1.00 0.00 C ATOM 741 O LEU A 44 7.078 -8.416 -4.213 1.00 0.00 O ATOM 742 CB LEU A 44 7.588 -6.871 -1.214 1.00 0.00 C ATOM 743 CG LEU A 44 8.262 -5.572 -0.739 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.473 -5.545 0.774 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.605 -5.400 -1.444 1.00 0.00 C ATOM 0 H LEU A 44 4.983 -6.361 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 44 7.609 -6.191 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.851 -7.191 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.333 -7.664 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 44 7.594 -4.749 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.952 -4.608 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.510 -5.628 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.109 -6.380 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.079 -4.479 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.250 -6.247 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.447 -5.351 -2.521 1.00 0.00 H new ATOM 757 N GLU A 45 5.482 -8.634 -2.641 1.00 0.00 N ATOM 758 CA GLU A 45 4.762 -9.730 -3.249 1.00 0.00 C ATOM 759 C GLU A 45 3.303 -9.624 -2.798 1.00 0.00 C ATOM 760 O GLU A 45 3.032 -8.994 -1.765 1.00 0.00 O ATOM 761 CB GLU A 45 5.412 -11.062 -2.818 1.00 0.00 C ATOM 762 CG GLU A 45 5.194 -11.384 -1.317 1.00 0.00 C ATOM 763 CD GLU A 45 6.063 -12.522 -0.757 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.414 -13.473 -1.489 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.376 -12.503 0.462 1.00 0.00 O ATOM 0 H GLU A 45 5.117 -8.377 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 45 4.799 -9.691 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.002 -11.872 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.482 -11.021 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.388 -10.482 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.146 -11.641 -1.166 1.00 0.00 H new ATOM 772 N GLY A 46 2.388 -10.258 -3.536 1.00 0.00 N ATOM 773 CA GLY A 46 0.971 -10.369 -3.195 1.00 0.00 C ATOM 774 C GLY A 46 0.092 -9.366 -3.922 1.00 0.00 C ATOM 775 O GLY A 46 0.581 -8.560 -4.720 1.00 0.00 O ATOM 0 H GLY A 46 2.622 -10.722 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.627 -11.377 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.852 -10.232 -2.120 1.00 0.00 H new ATOM 779 N LYS A 47 -1.224 -9.420 -3.681 1.00 0.00 N ATOM 780 CA LYS A 47 -2.191 -8.657 -4.464 1.00 0.00 C ATOM 781 C LYS A 47 -3.357 -8.168 -3.628 1.00 0.00 C ATOM 782 O LYS A 47 -3.872 -8.875 -2.761 1.00 0.00 O ATOM 783 CB LYS A 47 -2.694 -9.499 -5.641 1.00 0.00 C ATOM 784 CG LYS A 47 -2.318 -8.854 -6.976 1.00 0.00 C ATOM 785 CD LYS A 47 -3.065 -7.568 -7.359 1.00 0.00 C ATOM 786 CE LYS A 47 -4.569 -7.787 -7.571 1.00 0.00 C ATOM 787 NZ LYS A 47 -4.836 -8.673 -8.730 1.00 0.00 N ATOM 0 H LYS A 47 -1.641 -9.989 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.678 -7.772 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.268 -10.501 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.777 -9.609 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.251 -8.634 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.479 -9.588 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.919 -6.823 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.631 -7.161 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.004 -8.223 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.058 -6.826 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.857 -8.690 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.329 -8.315 -9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.509 -9.636 -8.513 1.00 0.00 H new ATOM 801 N VAL A 48 -3.838 -6.979 -3.972 1.00 0.00 N ATOM 802 CA VAL A 48 -4.949 -6.310 -3.308 1.00 0.00 C ATOM 803 C VAL A 48 -5.770 -5.592 -4.390 1.00 0.00 C ATOM 804 O VAL A 48 -5.257 -5.323 -5.482 1.00 0.00 O ATOM 805 CB VAL A 48 -4.387 -5.354 -2.217 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.441 -4.638 -1.357 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.450 -6.062 -1.223 1.00 0.00 C ATOM 0 H VAL A 48 -3.453 -6.437 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.610 -7.008 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.859 -4.620 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.943 -3.997 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.081 -4.031 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.047 -5.378 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.090 -5.343 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.993 -6.860 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.602 -6.485 -1.761 1.00 0.00 H new ATOM 817 N GLU A 49 -7.028 -5.275 -4.081 1.00 0.00 N ATOM 818 CA GLU A 49 -7.831 -4.255 -4.738 1.00 0.00 C ATOM 819 C GLU A 49 -8.264 -3.273 -3.646 1.00 0.00 C ATOM 820 O GLU A 49 -8.911 -3.665 -2.668 1.00 0.00 O ATOM 821 CB GLU A 49 -9.053 -4.855 -5.465 1.00 0.00 C ATOM 822 CG GLU A 49 -9.115 -4.365 -6.919 1.00 0.00 C ATOM 823 CD GLU A 49 -10.465 -4.677 -7.581 1.00 0.00 C ATOM 824 OE1 GLU A 49 -11.443 -3.914 -7.400 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.582 -5.670 -8.331 1.00 0.00 O ATOM 0 H GLU A 49 -7.534 -5.747 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.248 -3.755 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.996 -5.943 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.967 -4.574 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.940 -3.290 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.315 -4.833 -7.492 1.00 0.00 H new ATOM 832 N VAL A 50 -7.876 -2.008 -3.779 1.00 0.00 N ATOM 833 CA VAL A 50 -8.205 -0.937 -2.851 1.00 0.00 C ATOM 834 C VAL A 50 -9.316 -0.114 -3.506 1.00 0.00 C ATOM 835 O VAL A 50 -9.068 0.774 -4.324 1.00 0.00 O ATOM 836 CB VAL A 50 -6.937 -0.137 -2.478 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.267 0.915 -1.416 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.833 -1.056 -1.927 1.00 0.00 C ATOM 0 H VAL A 50 -7.305 -1.692 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.577 -1.307 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.579 0.344 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.365 1.471 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.019 1.601 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.652 0.422 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.956 -0.460 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.195 -1.565 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.565 -1.795 -2.682 1.00 0.00 H new ATOM 848 N THR A 51 -10.563 -0.467 -3.205 1.00 0.00 N ATOM 849 CA THR A 51 -11.755 0.220 -3.680 1.00 0.00 C ATOM 850 C THR A 51 -11.958 1.476 -2.833 1.00 0.00 C ATOM 851 O THR A 51 -12.394 1.389 -1.682 1.00 0.00 O ATOM 852 CB THR A 51 -12.948 -0.733 -3.580 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.642 -1.915 -4.289 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.218 -0.124 -4.177 1.00 0.00 C ATOM 0 H THR A 51 -10.775 -1.264 -2.605 1.00 0.00 H new ATOM 0 HA THR A 51 -11.652 0.521 -4.723 1.00 0.00 H new ATOM 0 HB THR A 51 -13.131 -0.935 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.398 -2.536 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.040 -0.834 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.468 0.792 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.052 0.104 -5.230 1.00 0.00 H new ATOM 862 N THR A 52 -11.619 2.643 -3.368 1.00 0.00 N ATOM 863 CA THR A 52 -11.751 3.902 -2.647 1.00 0.00 C ATOM 864 C THR A 52 -13.192 4.420 -2.758 1.00 0.00 C ATOM 865 O THR A 52 -14.015 3.831 -3.462 1.00 0.00 O ATOM 866 CB THR A 52 -10.666 4.880 -3.117 1.00 0.00 C ATOM 867 OG1 THR A 52 -10.846 5.223 -4.475 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.249 4.319 -2.963 1.00 0.00 C ATOM 0 H THR A 52 -11.246 2.743 -4.312 1.00 0.00 H new ATOM 0 HA THR A 52 -11.579 3.767 -1.579 1.00 0.00 H new ATOM 0 HB THR A 52 -10.770 5.757 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.748 4.422 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.526 5.056 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.059 4.093 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.152 3.408 -3.554 1.00 0.00 H new ATOM 876 N GLU A 53 -13.525 5.490 -2.035 1.00 0.00 N ATOM 877 CA GLU A 53 -14.907 5.910 -1.832 1.00 0.00 C ATOM 878 C GLU A 53 -15.532 6.505 -3.095 1.00 0.00 C ATOM 879 O GLU A 53 -16.740 6.407 -3.321 1.00 0.00 O ATOM 880 CB GLU A 53 -14.950 6.933 -0.691 1.00 0.00 C ATOM 881 CG GLU A 53 -16.331 6.952 -0.039 1.00 0.00 C ATOM 882 CD GLU A 53 -16.507 5.698 0.810 1.00 0.00 C ATOM 883 OE1 GLU A 53 -15.986 5.696 1.951 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.016 4.675 0.293 1.00 0.00 O ATOM 0 H GLU A 53 -12.841 6.089 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.494 5.027 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.193 6.687 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.709 7.924 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.441 7.842 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.106 6.998 -0.804 1.00 0.00 H new ATOM 891 N ASP A 54 -14.701 7.104 -3.942 1.00 0.00 N ATOM 892 CA ASP A 54 -15.086 7.612 -5.263 1.00 0.00 C ATOM 893 C ASP A 54 -15.303 6.457 -6.263 1.00 0.00 C ATOM 894 O ASP A 54 -15.617 6.691 -7.430 1.00 0.00 O ATOM 895 CB ASP A 54 -14.024 8.619 -5.754 1.00 0.00 C ATOM 896 CG ASP A 54 -14.632 9.836 -6.462 1.00 0.00 C ATOM 897 OD1 ASP A 54 -15.540 10.472 -5.869 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.137 10.216 -7.546 1.00 0.00 O ATOM 0 H ASP A 54 -13.715 7.256 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.040 8.133 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.433 8.959 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.340 8.113 -6.436 1.00 0.00 H new ATOM 903 N GLY A 55 -15.125 5.204 -5.820 1.00 0.00 N ATOM 904 CA GLY A 55 -15.322 3.955 -6.553 1.00 0.00 C ATOM 905 C GLY A 55 -14.040 3.442 -7.208 1.00 0.00 C ATOM 906 O GLY A 55 -13.975 2.273 -7.603 1.00 0.00 O ATOM 0 H GLY A 55 -14.815 5.029 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.705 3.196 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.081 4.106 -7.321 1.00 0.00 H new ATOM 910 N LYS A 56 -13.017 4.298 -7.305 1.00 0.00 N ATOM 911 CA LYS A 56 -11.766 4.051 -8.016 1.00 0.00 C ATOM 912 C LYS A 56 -11.064 2.891 -7.328 1.00 0.00 C ATOM 913 O LYS A 56 -10.814 2.973 -6.120 1.00 0.00 O ATOM 914 CB LYS A 56 -10.905 5.328 -8.008 1.00 0.00 C ATOM 915 CG LYS A 56 -11.511 6.468 -8.846 1.00 0.00 C ATOM 916 CD LYS A 56 -11.119 6.364 -10.326 1.00 0.00 C ATOM 917 CE LYS A 56 -11.787 7.442 -11.191 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.279 8.804 -10.930 1.00 0.00 N ATOM 0 H LYS A 56 -13.043 5.220 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.947 3.791 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.779 5.668 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.912 5.092 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.597 6.446 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.177 7.427 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.036 6.449 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.395 5.379 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.632 7.200 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.862 7.424 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.771 9.482 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.450 9.053 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.258 8.837 -11.125 1.00 0.00 H new ATOM 932 N LYS A 57 -10.813 1.802 -8.057 1.00 0.00 N ATOM 933 CA LYS A 57 -10.349 0.543 -7.520 1.00 0.00 C ATOM 934 C LYS A 57 -8.918 0.286 -7.957 1.00 0.00 C ATOM 935 O LYS A 57 -8.650 -0.099 -9.094 1.00 0.00 O ATOM 936 CB LYS A 57 -11.343 -0.555 -7.883 1.00 0.00 C ATOM 937 CG LYS A 57 -11.463 -0.936 -9.373 1.00 0.00 C ATOM 938 CD LYS A 57 -12.887 -0.961 -9.933 1.00 0.00 C ATOM 939 CE LYS A 57 -13.322 0.478 -10.235 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.530 0.571 -11.077 1.00 0.00 N ATOM 0 H LYS A 57 -10.934 1.782 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.312 0.565 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.073 -1.452 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.328 -0.247 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.873 -0.231 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.018 -1.921 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.926 -1.566 -10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.567 -1.419 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.505 0.997 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.503 0.998 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.764 1.571 -11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.354 0.104 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.325 0.103 -10.597 1.00 0.00 H new ATOM 954 N TYR A 58 -7.993 0.545 -7.054 1.00 0.00 N ATOM 955 CA TYR A 58 -6.577 0.407 -7.325 1.00 0.00 C ATOM 956 C TYR A 58 -6.194 -1.054 -7.127 1.00 0.00 C ATOM 957 O TYR A 58 -6.197 -1.554 -6.002 1.00 0.00 O ATOM 958 CB TYR A 58 -5.788 1.378 -6.447 1.00 0.00 C ATOM 959 CG TYR A 58 -6.121 2.823 -6.771 1.00 0.00 C ATOM 960 CD1 TYR A 58 -5.440 3.478 -7.812 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.165 3.485 -6.095 1.00 0.00 C ATOM 962 CE1 TYR A 58 -5.756 4.804 -8.143 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.521 4.798 -6.453 1.00 0.00 C ATOM 964 CZ TYR A 58 -6.799 5.469 -7.466 1.00 0.00 C ATOM 965 OH TYR A 58 -7.133 6.742 -7.806 1.00 0.00 O ATOM 0 H TYR A 58 -8.204 0.859 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.334 0.671 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.007 1.180 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.720 1.210 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.669 2.957 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.694 2.982 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.201 5.315 -8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.343 5.291 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.873 7.048 -7.241 1.00 0.00 H new ATOM 975 N VAL A 59 -5.919 -1.760 -8.222 1.00 0.00 N ATOM 976 CA VAL A 59 -5.054 -2.931 -8.167 1.00 0.00 C ATOM 977 C VAL A 59 -3.673 -2.379 -7.819 1.00 0.00 C ATOM 978 O VAL A 59 -3.287 -1.315 -8.310 1.00 0.00 O ATOM 979 CB VAL A 59 -5.079 -3.672 -9.518 1.00 0.00 C ATOM 980 CG1 VAL A 59 -3.960 -4.711 -9.654 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.421 -4.405 -9.659 1.00 0.00 C ATOM 0 H VAL A 59 -6.281 -1.542 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.371 -3.667 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.937 -2.920 -10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.032 -5.198 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.992 -4.217 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.059 -5.458 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.449 -4.933 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.532 -5.121 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.236 -3.682 -9.620 1.00 0.00 H new ATOM 991 N ILE A 60 -2.969 -3.106 -6.962 1.00 0.00 N ATOM 992 CA ILE A 60 -1.595 -2.849 -6.570 1.00 0.00 C ATOM 993 C ILE A 60 -0.877 -4.193 -6.617 1.00 0.00 C ATOM 994 O ILE A 60 -1.070 -5.042 -5.743 1.00 0.00 O ATOM 995 CB ILE A 60 -1.516 -2.108 -5.212 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.494 -2.662 -4.148 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.737 -0.611 -5.468 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.443 -1.945 -2.793 1.00 0.00 C ATOM 0 H ILE A 60 -3.361 -3.928 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.093 -2.162 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.527 -2.274 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.509 -2.598 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.279 -3.719 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.685 -0.069 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.965 -0.239 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.717 -0.460 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.162 -2.402 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.441 -2.031 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.690 -0.892 -2.929 1.00 0.00 H new ATOM 1010 N GLU A 61 -0.140 -4.432 -7.696 1.00 0.00 N ATOM 1011 CA GLU A 61 0.796 -5.543 -7.819 1.00 0.00 C ATOM 1012 C GLU A 61 2.125 -5.186 -7.135 1.00 0.00 C ATOM 1013 O GLU A 61 2.341 -4.045 -6.711 1.00 0.00 O ATOM 1014 CB GLU A 61 0.996 -5.917 -9.303 1.00 0.00 C ATOM 1015 CG GLU A 61 1.759 -4.842 -10.094 1.00 0.00 C ATOM 1016 CD GLU A 61 1.935 -5.179 -11.573 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.916 -5.402 -12.262 1.00 0.00 O ATOM 1018 OE2 GLU A 61 3.089 -5.146 -12.065 1.00 0.00 O ATOM 0 H GLU A 61 -0.178 -3.845 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 61 0.386 -6.419 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.539 -6.860 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.023 -6.079 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.228 -3.894 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.741 -4.700 -9.643 1.00 0.00 H new ATOM 1025 N LYS A 62 3.028 -6.166 -7.041 1.00 0.00 N ATOM 1026 CA LYS A 62 4.410 -5.956 -6.619 1.00 0.00 C ATOM 1027 C LYS A 62 5.055 -4.847 -7.472 1.00 0.00 C ATOM 1028 O LYS A 62 5.031 -4.878 -8.704 1.00 0.00 O ATOM 1029 CB LYS A 62 5.174 -7.283 -6.641 1.00 0.00 C ATOM 1030 CG LYS A 62 5.307 -7.900 -8.038 1.00 0.00 C ATOM 1031 CD LYS A 62 4.961 -9.398 -8.046 1.00 0.00 C ATOM 1032 CE LYS A 62 5.372 -10.047 -9.372 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.489 -9.696 -10.508 1.00 0.00 N ATOM 0 H LYS A 62 2.814 -7.139 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 62 4.445 -5.606 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.170 -7.124 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.668 -7.993 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.650 -7.373 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.326 -7.762 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.468 -9.897 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.890 -9.529 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.393 -9.748 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.378 -11.130 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.827 -10.170 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.518 -10.005 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.501 -8.666 -10.652 1.00 0.00 H new ATOM 1047 N GLY A 63 5.623 -3.855 -6.800 1.00 0.00 N ATOM 1048 CA GLY A 63 6.366 -2.751 -7.403 1.00 0.00 C ATOM 1049 C GLY A 63 5.616 -1.414 -7.409 1.00 0.00 C ATOM 1050 O GLY A 63 6.275 -0.383 -7.294 1.00 0.00 O ATOM 0 H GLY A 63 5.579 -3.792 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.306 -2.625 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.619 -3.017 -8.429 1.00 0.00 H new ATOM 1054 N ASP A 64 4.274 -1.380 -7.445 1.00 0.00 N ATOM 1055 CA ASP A 64 3.495 -0.126 -7.441 1.00 0.00 C ATOM 1056 C ASP A 64 3.627 0.505 -6.057 1.00 0.00 C ATOM 1057 O ASP A 64 3.055 -0.014 -5.100 1.00 0.00 O ATOM 1058 CB ASP A 64 2.002 -0.392 -7.708 1.00 0.00 C ATOM 1059 CG ASP A 64 1.578 -0.407 -9.192 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.731 -1.431 -9.897 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.009 0.591 -9.686 1.00 0.00 O ATOM 0 H ASP A 64 3.696 -2.220 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 64 3.877 0.528 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.738 -1.352 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.418 0.369 -7.190 1.00 0.00 H new ATOM 1066 N LEU A 65 4.465 1.526 -5.881 1.00 0.00 N ATOM 1067 CA LEU A 65 4.651 2.203 -4.600 1.00 0.00 C ATOM 1068 C LEU A 65 3.459 3.121 -4.411 1.00 0.00 C ATOM 1069 O LEU A 65 3.140 3.875 -5.333 1.00 0.00 O ATOM 1070 CB LEU A 65 5.931 3.044 -4.632 1.00 0.00 C ATOM 1071 CG LEU A 65 6.141 3.910 -3.368 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.724 3.083 -2.217 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.087 5.066 -3.687 1.00 0.00 C ATOM 0 H LEU A 65 5.039 1.910 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 65 4.733 1.479 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.787 2.381 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.906 3.694 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 65 5.169 4.295 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.860 3.720 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.041 2.270 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.687 2.669 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.233 5.674 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.047 4.670 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.657 5.680 -4.478 1.00 0.00 H new ATOM 1085 N VAL A 66 2.870 3.113 -3.220 1.00 0.00 N ATOM 1086 CA VAL A 66 1.654 3.845 -2.921 1.00 0.00 C ATOM 1087 C VAL A 66 1.964 4.890 -1.856 1.00 0.00 C ATOM 1088 O VAL A 66 2.786 4.659 -0.959 1.00 0.00 O ATOM 1089 CB VAL A 66 0.566 2.844 -2.473 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.810 3.500 -2.275 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.416 1.681 -3.471 1.00 0.00 C ATOM 0 H VAL A 66 3.234 2.588 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 66 1.276 4.369 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 66 0.909 2.464 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.531 2.745 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.738 4.274 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.138 3.947 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.358 0.999 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.138 2.074 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.362 1.146 -3.551 1.00 0.00 H new ATOM 1101 N THR A 67 1.262 6.020 -1.950 1.00 0.00 N ATOM 1102 CA THR A 67 1.160 7.023 -0.915 1.00 0.00 C ATOM 1103 C THR A 67 -0.301 7.509 -0.862 1.00 0.00 C ATOM 1104 O THR A 67 -0.740 8.325 -1.680 1.00 0.00 O ATOM 1105 CB THR A 67 2.170 8.155 -1.162 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.462 7.653 -1.434 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.324 9.093 0.045 1.00 0.00 C ATOM 0 H THR A 67 0.731 6.261 -2.787 1.00 0.00 H new ATOM 0 HA THR A 67 1.415 6.609 0.060 1.00 0.00 H new ATOM 0 HB THR A 67 1.765 8.700 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.078 8.400 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.050 9.872 -0.190 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.362 9.551 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.669 8.523 0.907 1.00 0.00 H new ATOM 1115 N PHE A 68 -1.078 6.993 0.090 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.331 7.597 0.540 1.00 0.00 C ATOM 1117 C PHE A 68 -2.040 8.973 1.164 1.00 0.00 C ATOM 1118 O PHE A 68 -0.883 9.314 1.428 1.00 0.00 O ATOM 1119 CB PHE A 68 -3.013 6.678 1.569 1.00 0.00 C ATOM 1120 CG PHE A 68 -3.333 5.291 1.046 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.494 5.048 0.292 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.445 4.236 1.304 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.756 3.760 -0.212 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.693 2.952 0.791 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.852 2.709 0.036 1.00 0.00 C ATOM 0 H PHE A 68 -0.850 6.127 0.579 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.000 7.726 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.366 6.585 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.936 7.150 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.188 5.853 0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.563 4.412 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.651 3.578 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.992 2.152 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.049 1.721 -0.353 1.00 0.00 H new ATOM 1135 N PRO A 69 -3.039 9.835 1.383 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.856 10.974 2.259 1.00 0.00 C ATOM 1137 C PRO A 69 -3.174 10.644 3.714 1.00 0.00 C ATOM 1138 O PRO A 69 -3.697 9.585 4.057 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.790 12.032 1.707 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.982 11.173 1.327 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.369 9.869 0.799 1.00 0.00 C ATOM 0 HA PRO A 69 -1.818 11.306 2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.044 12.789 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.365 12.555 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.627 10.988 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.594 11.659 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.958 9.002 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.325 9.862 -0.290 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.906 11.644 4.546 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.326 11.720 5.939 1.00 0.00 C ATOM 1151 C LYS A 70 -4.815 12.048 5.896 1.00 0.00 C ATOM 1152 O LYS A 70 -5.175 13.219 5.730 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.444 12.772 6.642 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.698 13.045 8.139 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.507 13.856 8.683 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.599 14.249 10.163 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.462 15.426 10.398 1.00 0.00 N ATOM 0 H LYS A 70 -2.366 12.459 4.255 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.200 10.802 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.404 12.465 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.557 13.715 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.628 13.597 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.802 12.107 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.596 13.276 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.406 14.764 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.984 13.404 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.598 14.459 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.484 15.643 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.083 16.243 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.426 15.221 10.066 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.658 11.020 5.902 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.107 11.123 5.886 1.00 0.00 C ATOM 1173 C GLY A 71 -7.675 10.475 4.624 1.00 0.00 C ATOM 1174 O GLY A 71 -7.912 11.163 3.627 1.00 0.00 O ATOM 0 H GLY A 71 -5.333 10.053 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.522 10.638 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.404 12.171 5.929 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.877 9.155 4.641 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.579 8.391 3.606 1.00 0.00 C ATOM 1180 C LEU A 72 -9.221 7.177 4.246 1.00 0.00 C ATOM 1181 O LEU A 72 -8.531 6.441 4.940 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.626 8.006 2.475 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.365 7.194 1.386 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.906 7.616 0.004 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.104 5.718 1.547 1.00 0.00 C ATOM 0 H LEU A 72 -7.544 8.567 5.405 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.361 9.004 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.195 8.905 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.799 7.419 2.874 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.431 7.390 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.437 7.034 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.116 8.676 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.834 7.442 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.634 5.168 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.034 5.526 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.454 5.391 2.526 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.508 6.938 3.973 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.183 5.671 4.257 1.00 0.00 C ATOM 1199 C ARG A 73 -11.339 4.943 2.930 1.00 0.00 C ATOM 1200 O ARG A 73 -11.715 5.583 1.941 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.557 5.945 4.897 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.028 4.850 5.867 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.035 5.468 6.848 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.702 4.455 7.675 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.008 4.345 7.936 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.897 5.125 7.330 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -16.419 3.442 8.810 1.00 0.00 N ATOM 0 H ARG A 73 -11.118 7.632 3.541 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.609 5.063 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.514 6.894 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.298 6.058 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.490 4.030 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.179 4.433 6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.520 6.179 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.785 6.029 6.290 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.097 3.752 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.586 5.822 6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.890 5.027 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.742 2.839 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.413 3.349 9.018 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.035 3.653 2.861 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.372 2.852 1.695 1.00 0.00 C ATOM 1223 C CYS A 74 -11.585 1.392 2.063 1.00 0.00 C ATOM 1224 O CYS A 74 -11.174 0.952 3.135 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.290 2.964 0.638 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.686 2.401 1.283 1.00 0.00 S ATOM 0 H CYS A 74 -10.555 3.140 3.601 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.307 3.242 1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.565 2.369 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.209 3.998 0.304 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.880 1.594 2.283 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.148 0.615 1.138 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.180 -0.832 1.265 1.00 0.00 C ATOM 1234 C ARG A 75 -10.851 -1.447 0.908 1.00 0.00 C ATOM 1235 O ARG A 75 -10.022 -0.837 0.233 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.252 -1.442 0.370 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.347 -2.121 1.199 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.668 -1.446 0.885 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.711 -0.032 1.329 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.727 0.504 2.026 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.668 -0.272 2.551 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.822 1.814 2.184 1.00 0.00 N ATOM 0 H ARG A 75 -12.589 0.971 0.290 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.409 -1.047 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.694 -0.665 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.797 -2.170 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.398 -3.184 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.123 -2.041 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.847 -1.490 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.476 -1.998 1.366 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.922 0.570 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.623 -1.283 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.436 0.143 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.119 2.429 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.598 2.209 2.715 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.719 -2.703 1.309 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.505 -3.479 1.173 1.00 0.00 C ATOM 1258 C TRP A 76 -9.878 -4.924 0.853 1.00 0.00 C ATOM 1259 O TRP A 76 -10.292 -5.669 1.741 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.656 -3.337 2.446 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.477 -2.445 2.234 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.510 -1.107 2.045 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -6.082 -2.832 2.093 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -6.249 -0.652 1.729 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -5.331 -1.676 1.738 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -5.374 -4.044 2.227 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.952 -1.725 1.511 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.983 -4.097 2.042 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -3.275 -2.941 1.679 1.00 0.00 C ATOM 0 H TRP A 76 -11.479 -3.221 1.750 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.892 -3.112 0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.273 -2.938 3.251 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -8.313 -4.321 2.765 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.391 -0.489 2.129 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.025 0.320 1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.911 -4.947 2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.415 -0.837 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.457 -5.030 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.207 -2.988 1.529 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.781 -5.320 -0.418 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.873 -6.714 -0.839 1.00 0.00 C ATOM 1282 C LYS A 77 -8.446 -7.232 -0.932 1.00 0.00 C ATOM 1283 O LYS A 77 -7.735 -6.837 -1.851 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.603 -6.802 -2.192 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.703 -8.243 -2.703 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.841 -9.034 -2.054 1.00 0.00 C ATOM 1287 CE LYS A 77 -11.393 -10.468 -1.736 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.539 -11.380 -1.564 1.00 0.00 N ATOM 0 H LYS A 77 -9.635 -4.671 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.444 -7.318 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.605 -6.384 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.077 -6.193 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.848 -8.230 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.759 -8.755 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.161 -8.536 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.702 -9.056 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.755 -10.835 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.791 -10.467 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.192 -12.337 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.135 -11.045 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.100 -11.402 -2.440 1.00 0.00 H new ATOM 1302 N VAL A 78 -8.001 -8.085 -0.015 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.779 -8.848 -0.204 1.00 0.00 C ATOM 1304 C VAL A 78 -7.164 -9.936 -1.189 1.00 0.00 C ATOM 1305 O VAL A 78 -8.005 -10.786 -0.895 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.259 -9.432 1.123 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.793 -9.832 0.971 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.407 -8.446 2.295 1.00 0.00 C ATOM 0 H VAL A 78 -8.474 -8.264 0.871 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.961 -8.231 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.867 -10.307 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.429 -10.245 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.700 -10.582 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.202 -8.955 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.026 -8.905 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.841 -7.539 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.459 -8.194 2.428 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.613 -9.846 -2.391 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.829 -10.860 -3.402 1.00 0.00 C ATOM 1320 C LEU A 79 -5.828 -11.992 -3.185 1.00 0.00 C ATOM 1321 O LEU A 79 -6.163 -13.133 -3.476 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.743 -10.221 -4.798 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.951 -9.305 -5.100 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.678 -8.450 -6.336 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.245 -10.103 -5.307 1.00 0.00 C ATOM 0 H LEU A 79 -6.012 -9.077 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.826 -11.294 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.823 -9.642 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.688 -11.006 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.087 -8.663 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.539 -7.811 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.798 -7.830 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.502 -9.098 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.066 -9.417 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.120 -10.787 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.469 -10.673 -4.405 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.656 -11.725 -2.600 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.612 -12.714 -2.322 1.00 0.00 C ATOM 1339 C GLU A 80 -2.787 -12.275 -1.107 1.00 0.00 C ATOM 1340 O GLU A 80 -2.672 -11.066 -0.886 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.660 -12.805 -3.533 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.095 -13.798 -4.614 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.638 -13.383 -6.014 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.512 -13.748 -6.437 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.459 -12.786 -6.753 1.00 0.00 O ATOM 0 H GLU A 80 -4.401 -10.785 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.084 -13.677 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.570 -11.816 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.668 -13.086 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.690 -14.783 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.181 -13.889 -4.603 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.159 -13.208 -0.361 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.270 -12.876 0.748 1.00 0.00 C ATOM 1354 C PRO A 81 -0.194 -11.912 0.265 1.00 0.00 C ATOM 1355 O PRO A 81 0.445 -12.150 -0.762 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.665 -14.193 1.238 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.833 -15.135 0.052 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.117 -14.643 -0.612 1.00 0.00 C ATOM 0 HA PRO A 81 -1.801 -12.385 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.384 -14.075 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.182 -14.566 2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.017 -15.081 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.919 -16.173 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.112 -14.855 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.991 -15.141 -0.193 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.032 -10.802 0.978 1.00 0.00 N ATOM 1367 CA VAL A 82 0.742 -9.662 0.521 1.00 0.00 C ATOM 1368 C VAL A 82 1.597 -9.198 1.680 1.00 0.00 C ATOM 1369 O VAL A 82 1.111 -9.116 2.817 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.210 -8.583 -0.056 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.227 -8.074 0.970 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.516 -7.358 -0.626 1.00 0.00 C ATOM 0 H VAL A 82 -0.442 -10.671 1.903 1.00 0.00 H new ATOM 0 HA VAL A 82 1.415 -9.913 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.720 -9.107 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.865 -7.321 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.840 -8.905 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.700 -7.633 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.216 -6.648 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.103 -6.884 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.178 -7.670 -1.434 1.00 0.00 H new ATOM 1382 N ARG A 83 2.855 -8.856 1.402 1.00 0.00 N ATOM 1383 CA ARG A 83 3.841 -8.569 2.437 1.00 0.00 C ATOM 1384 C ARG A 83 4.507 -7.222 2.168 1.00 0.00 C ATOM 1385 O ARG A 83 5.663 -7.155 1.774 1.00 0.00 O ATOM 1386 CB ARG A 83 4.812 -9.760 2.515 1.00 0.00 C ATOM 1387 CG ARG A 83 5.255 -9.999 3.952 1.00 0.00 C ATOM 1388 CD ARG A 83 6.293 -11.110 3.983 1.00 0.00 C ATOM 1389 NE ARG A 83 6.389 -11.679 5.329 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.028 -12.805 5.639 1.00 0.00 C ATOM 1391 NH1 ARG A 83 7.929 -13.338 4.814 1.00 0.00 N ATOM 1392 NH2 ARG A 83 6.729 -13.367 6.797 1.00 0.00 N ATOM 0 H ARG A 83 3.217 -8.771 0.452 1.00 0.00 H new ATOM 0 HA ARG A 83 3.381 -8.465 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.329 -10.656 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.683 -9.568 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.673 -9.084 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.398 -10.270 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.023 -11.889 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.263 -10.719 3.676 1.00 0.00 H new ATOM 0 HE ARG A 83 5.931 -11.174 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.140 -12.882 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.407 -14.202 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.035 -12.937 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.192 -14.231 7.079 1.00 0.00 H new ATOM 1406 N LYS A 84 3.755 -6.126 2.292 1.00 0.00 N ATOM 1407 CA LYS A 84 4.256 -4.799 1.964 1.00 0.00 C ATOM 1408 C LYS A 84 5.092 -4.329 3.157 1.00 0.00 C ATOM 1409 O LYS A 84 4.851 -4.737 4.301 1.00 0.00 O ATOM 1410 CB LYS A 84 3.096 -3.825 1.636 1.00 0.00 C ATOM 1411 CG LYS A 84 2.582 -2.861 2.725 1.00 0.00 C ATOM 1412 CD LYS A 84 1.799 -3.332 3.950 1.00 0.00 C ATOM 1413 CE LYS A 84 0.291 -3.052 3.758 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.340 -2.293 4.861 1.00 0.00 N ATOM 0 H LYS A 84 2.789 -6.138 2.620 1.00 0.00 H new ATOM 0 HA LYS A 84 4.874 -4.826 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.409 -3.220 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.249 -4.426 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.454 -2.326 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.953 -2.129 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.961 -4.398 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.161 -2.820 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.153 -2.499 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.230 -4.003 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.126 -1.725 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.702 -2.956 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.364 -1.664 5.297 1.00 0.00 H new ATOM 1428 N HIS A 85 6.045 -3.436 2.930 1.00 0.00 N ATOM 1429 CA HIS A 85 6.661 -2.646 3.995 1.00 0.00 C ATOM 1430 C HIS A 85 5.892 -1.331 4.047 1.00 0.00 C ATOM 1431 O HIS A 85 5.541 -0.826 2.976 1.00 0.00 O ATOM 1432 CB HIS A 85 8.139 -2.397 3.668 1.00 0.00 C ATOM 1433 CG HIS A 85 9.046 -3.427 4.290 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.628 -4.506 3.662 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.423 -3.459 5.605 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.331 -5.176 4.588 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.234 -4.580 5.783 1.00 0.00 N ATOM 0 H HIS A 85 6.416 -3.236 2.001 1.00 0.00 H new ATOM 0 HA HIS A 85 6.621 -3.159 4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.275 -2.403 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.424 -1.406 4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.144 -2.746 6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.898 -6.075 4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.668 -4.886 6.654 1.00 0.00 H new ATOM 1445 N TYR A 86 5.652 -0.762 5.233 1.00 0.00 N ATOM 1446 CA TYR A 86 4.982 0.535 5.375 1.00 0.00 C ATOM 1447 C TYR A 86 5.757 1.448 6.313 1.00 0.00 C ATOM 1448 O TYR A 86 6.521 0.951 7.133 1.00 0.00 O ATOM 1449 CB TYR A 86 3.530 0.383 5.859 1.00 0.00 C ATOM 1450 CG TYR A 86 3.338 -0.026 7.313 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.683 -1.325 7.733 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.800 0.887 8.249 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.498 -1.705 9.071 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.602 0.503 9.589 1.00 0.00 C ATOM 1455 CZ TYR A 86 2.948 -0.803 10.004 1.00 0.00 C ATOM 1456 OH TYR A 86 2.763 -1.224 11.285 1.00 0.00 O ATOM 0 H TYR A 86 5.917 -1.188 6.121 1.00 0.00 H new ATOM 0 HA TYR A 86 4.956 0.989 4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.017 1.331 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.036 -0.356 5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.091 -2.030 7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.539 1.886 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.780 -2.698 9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.187 1.204 10.298 1.00 0.00 H new ATOM 0 HH TYR A 86 2.377 -0.496 11.816 1.00 0.00 H new ATOM 1466 N ASN A 87 5.547 2.763 6.230 1.00 0.00 N ATOM 1467 CA ASN A 87 6.079 3.713 7.200 1.00 0.00 C ATOM 1468 C ASN A 87 5.105 4.865 7.376 1.00 0.00 C ATOM 1469 O ASN A 87 4.612 5.395 6.378 1.00 0.00 O ATOM 1470 CB ASN A 87 7.442 4.262 6.760 1.00 0.00 C ATOM 1471 CG ASN A 87 8.134 4.998 7.905 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.853 4.766 9.079 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.062 5.886 7.610 1.00 0.00 N ATOM 0 H ASN A 87 5.002 3.197 5.485 1.00 0.00 H new ATOM 0 HA ASN A 87 6.212 3.187 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.073 3.443 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.310 4.939 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.549 6.382 8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.294 6.077 6.635 1.00 0.00 H new ATOM 1480 N LEU A 88 4.818 5.234 8.623 1.00 0.00 N ATOM 1481 CA LEU A 88 4.003 6.396 8.975 1.00 0.00 C ATOM 1482 C LEU A 88 4.910 7.627 9.024 1.00 0.00 C ATOM 1483 O LEU A 88 6.010 7.544 9.581 1.00 0.00 O ATOM 1484 CB LEU A 88 3.349 6.172 10.349 1.00 0.00 C ATOM 1485 CG LEU A 88 2.347 5.000 10.405 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.934 4.741 11.858 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.087 5.282 9.588 1.00 0.00 C ATOM 0 H LEU A 88 5.154 4.720 9.438 1.00 0.00 H new ATOM 0 HA LEU A 88 3.218 6.543 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.134 5.996 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.834 7.086 10.644 1.00 0.00 H new ATOM 0 HG LEU A 88 2.847 4.129 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.226 3.913 11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.816 4.490 12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.466 5.636 12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.411 4.430 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.592 6.171 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.359 5.447 8.545 1.00 0.00 H new ATOM 1499 N PHE A 89 4.486 8.757 8.457 1.00 0.00 N ATOM 1500 CA PHE A 89 5.280 9.975 8.374 1.00 0.00 C ATOM 1501 C PHE A 89 4.385 11.199 8.191 1.00 0.00 C ATOM 1502 O PHE A 89 3.152 11.095 8.360 1.00 0.00 O ATOM 1503 CB PHE A 89 6.335 9.845 7.256 1.00 0.00 C ATOM 1504 CG PHE A 89 5.832 9.880 5.825 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.014 8.851 5.328 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.187 10.949 4.983 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.492 8.940 4.029 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.701 11.012 3.664 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.842 10.010 3.190 1.00 0.00 C ATOM 0 H PHE A 89 3.562 8.849 8.035 1.00 0.00 H new ATOM 0 HA PHE A 89 5.814 10.117 9.314 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.060 10.649 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.871 8.907 7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.788 7.994 5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.838 11.728 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.815 8.179 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.989 11.829 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.452 10.061 2.184 1.00 0.00 H new