USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 82 GLN :FLIP amide:sc= -2.44 F(o=-2.8,f=-2.2) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= 0.242 F(o=-2.8!,f=-2.2) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.24 F(o=-4.5!,f=-2.2) USER MOD Single : A 16 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.7) USER MOD Single : A 19 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= -0.817 (180deg=-0.956) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.86! C(o=-3.6!,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.675 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.07 X(o=-3.1,f=-3.1!) USER MOD Single : A 45 THR OG1 : rot -86:sc= 0.963 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0196 (180deg=-0.294) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 66 SER OG : rot 24:sc= -0.985 USER MOD Single : A 67 TYR OH : rot 50:sc= -1.49! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.3) USER MOD Single : A 86 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 88:sc= 0.941 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.0557 (180deg=-0.525) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -12.391 4.486 -8.509 1.00 0.00 N ATOM 36 CA PRO A 3 -11.888 3.758 -7.304 1.00 0.00 C ATOM 37 C PRO A 3 -11.994 4.597 -6.022 1.00 0.00 C ATOM 38 O PRO A 3 -11.802 5.799 -6.030 1.00 0.00 O ATOM 39 CB PRO A 3 -10.417 3.452 -7.650 1.00 0.00 C ATOM 40 CG PRO A 3 -10.040 4.476 -8.673 1.00 0.00 C ATOM 41 CD PRO A 3 -11.311 4.749 -9.474 1.00 0.00 C ATOM 0 HA PRO A 3 -12.475 2.864 -7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.781 3.523 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.306 2.441 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.673 5.386 -8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.242 4.109 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.342 5.775 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.384 4.098 -10.345 1.00 0.00 H new ATOM 49 N GLN A 4 -12.286 3.968 -4.918 1.00 0.00 N ATOM 50 CA GLN A 4 -12.391 4.721 -3.642 1.00 0.00 C ATOM 51 C GLN A 4 -10.982 5.043 -3.145 1.00 0.00 C ATOM 52 O GLN A 4 -10.357 4.262 -2.453 1.00 0.00 O ATOM 53 CB GLN A 4 -13.143 3.868 -2.618 1.00 0.00 C ATOM 54 CG GLN A 4 -14.613 3.775 -3.033 1.00 0.00 C ATOM 55 CD GLN A 4 -15.371 2.868 -2.063 1.00 0.00 C ATOM 56 OE1 GLN A 4 -15.084 1.692 -1.962 1.00 0.00 O ATOM 57 NE2 GLN A 4 -16.339 3.368 -1.344 1.00 0.00 N ATOM 0 H GLN A 4 -12.456 2.965 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.938 5.652 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.704 2.872 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.059 4.310 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.061 4.769 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.690 3.382 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.580 4.356 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.855 2.771 -0.697 1.00 0.00 H new ATOM 66 N LEU A 5 -10.472 6.187 -3.515 1.00 0.00 N ATOM 67 CA LEU A 5 -9.096 6.572 -3.093 1.00 0.00 C ATOM 68 C LEU A 5 -9.146 7.220 -1.714 1.00 0.00 C ATOM 69 O LEU A 5 -9.946 8.099 -1.459 1.00 0.00 O ATOM 70 CB LEU A 5 -8.529 7.568 -4.105 1.00 0.00 C ATOM 71 CG LEU A 5 -8.548 6.944 -5.505 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.049 7.970 -6.526 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.646 5.696 -5.538 1.00 0.00 C ATOM 0 H LEU A 5 -10.953 6.875 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.462 5.686 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.117 8.486 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.510 7.840 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.568 6.649 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.062 7.528 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.698 8.845 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.031 8.268 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.666 5.259 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.624 5.979 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.009 4.965 -4.815 1.00 0.00 H new ATOM 85 N THR A 6 -8.289 6.790 -0.823 1.00 0.00 N ATOM 86 CA THR A 6 -8.257 7.364 0.554 1.00 0.00 C ATOM 87 C THR A 6 -6.851 7.892 0.843 1.00 0.00 C ATOM 88 O THR A 6 -5.862 7.227 0.609 1.00 0.00 O ATOM 89 CB THR A 6 -8.625 6.277 1.562 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.945 5.821 1.292 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.560 6.849 2.976 1.00 0.00 C ATOM 0 H THR A 6 -7.602 6.056 -0.995 1.00 0.00 H new ATOM 0 HA THR A 6 -8.973 8.182 0.635 1.00 0.00 H new ATOM 0 HB THR A 6 -7.925 5.445 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.187 5.122 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.823 6.073 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.550 7.204 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.261 7.679 3.065 1.00 0.00 H new ATOM 99 N LYS A 7 -6.762 9.096 1.327 1.00 0.00 N ATOM 100 CA LYS A 7 -5.435 9.701 1.609 1.00 0.00 C ATOM 101 C LYS A 7 -4.894 9.197 2.948 1.00 0.00 C ATOM 102 O LYS A 7 -5.631 8.771 3.814 1.00 0.00 O ATOM 103 CB LYS A 7 -5.594 11.220 1.663 1.00 0.00 C ATOM 104 CG LYS A 7 -6.259 11.722 0.372 1.00 0.00 C ATOM 105 CD LYS A 7 -5.343 11.471 -0.829 1.00 0.00 C ATOM 106 CE LYS A 7 -5.822 12.295 -2.023 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.858 12.131 -3.147 1.00 0.00 N ATOM 0 H LYS A 7 -7.561 9.693 1.541 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.733 9.421 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.197 11.501 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.620 11.692 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.212 11.214 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.476 12.787 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.317 11.739 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.343 10.411 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.816 11.970 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.902 13.346 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.178 12.690 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.918 12.461 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.804 11.127 -3.414 1.00 0.00 H new ATOM 121 N ILE A 8 -3.600 9.246 3.117 1.00 0.00 N ATOM 122 CA ILE A 8 -2.985 8.772 4.388 1.00 0.00 C ATOM 123 C ILE A 8 -3.483 9.642 5.546 1.00 0.00 C ATOM 124 O ILE A 8 -3.814 9.153 6.609 1.00 0.00 O ATOM 125 CB ILE A 8 -1.462 8.893 4.275 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.948 7.897 3.230 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.818 8.587 5.628 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.518 8.199 2.905 1.00 0.00 C ATOM 0 H ILE A 8 -2.939 9.597 2.424 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.260 7.734 4.572 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.202 9.908 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.045 6.879 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.552 7.961 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.265 8.674 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.182 9.295 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.078 7.573 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.880 7.489 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.602 9.212 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.117 8.112 3.811 1.00 0.00 H new ATOM 140 N VAL A 9 -3.531 10.928 5.348 1.00 0.00 N ATOM 141 CA VAL A 9 -3.999 11.840 6.429 1.00 0.00 C ATOM 142 C VAL A 9 -5.484 11.584 6.711 1.00 0.00 C ATOM 143 O VAL A 9 -5.982 11.875 7.781 1.00 0.00 O ATOM 144 CB VAL A 9 -3.793 13.289 5.985 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.677 13.582 4.773 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.164 14.234 7.128 1.00 0.00 C ATOM 0 H VAL A 9 -3.265 11.391 4.479 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.430 11.656 7.340 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.747 13.440 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.530 14.615 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.409 12.911 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.723 13.430 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.016 15.266 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.209 14.084 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.532 14.027 7.991 1.00 0.00 H new ATOM 156 N ASP A 10 -6.194 11.047 5.758 1.00 0.00 N ATOM 157 CA ASP A 10 -7.644 10.778 5.969 1.00 0.00 C ATOM 158 C ASP A 10 -7.822 9.507 6.801 1.00 0.00 C ATOM 159 O ASP A 10 -8.922 9.142 7.166 1.00 0.00 O ATOM 160 CB ASP A 10 -8.321 10.591 4.609 1.00 0.00 C ATOM 161 CG ASP A 10 -8.387 11.932 3.878 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.204 12.949 4.526 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.619 11.920 2.680 1.00 0.00 O ATOM 0 H ASP A 10 -5.833 10.783 4.842 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.095 11.618 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.766 9.867 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.325 10.190 4.744 1.00 0.00 H new ATOM 168 N ILE A 11 -6.753 8.820 7.101 1.00 0.00 N ATOM 169 CA ILE A 11 -6.880 7.568 7.903 1.00 0.00 C ATOM 170 C ILE A 11 -7.002 7.907 9.391 1.00 0.00 C ATOM 171 O ILE A 11 -6.137 8.530 9.974 1.00 0.00 O ATOM 172 CB ILE A 11 -5.648 6.686 7.677 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.612 6.227 6.216 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.720 5.460 8.595 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.268 5.559 5.915 1.00 0.00 C ATOM 0 H ILE A 11 -5.802 9.069 6.828 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.775 7.032 7.586 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.747 7.256 7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.427 5.528 6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.761 7.080 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.843 4.833 8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.747 5.785 9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.621 4.889 8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.248 5.234 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.461 6.271 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.137 4.695 6.567 1.00 0.00 H new ATOM 187 N VAL A 12 -8.072 7.481 10.010 1.00 0.00 N ATOM 188 CA VAL A 12 -8.268 7.748 11.465 1.00 0.00 C ATOM 189 C VAL A 12 -9.015 6.567 12.087 1.00 0.00 C ATOM 190 O VAL A 12 -9.456 6.631 13.217 1.00 0.00 O ATOM 191 CB VAL A 12 -9.089 9.027 11.654 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.357 10.201 11.002 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.461 8.856 10.999 1.00 0.00 C ATOM 0 H VAL A 12 -8.824 6.955 9.565 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.299 7.874 11.948 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.217 9.222 12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.940 11.112 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.379 10.324 11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.230 10.004 9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.045 9.767 11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.334 8.661 9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.983 8.018 11.462 1.00 0.00 H new ATOM 203 N GLU A 13 -9.164 5.485 11.355 1.00 0.00 N ATOM 204 CA GLU A 13 -9.890 4.295 11.903 1.00 0.00 C ATOM 205 C GLU A 13 -9.123 3.018 11.558 1.00 0.00 C ATOM 206 O GLU A 13 -8.703 2.812 10.437 1.00 0.00 O ATOM 207 CB GLU A 13 -11.292 4.232 11.287 1.00 0.00 C ATOM 208 CG GLU A 13 -12.110 3.132 11.971 1.00 0.00 C ATOM 209 CD GLU A 13 -12.428 3.551 13.409 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.156 4.690 13.748 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.944 2.726 14.145 1.00 0.00 O ATOM 0 H GLU A 13 -8.814 5.376 10.403 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.968 4.384 12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.792 5.194 11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.221 4.033 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.034 2.955 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.553 2.195 11.969 1.00 0.00 H new ATOM 218 N ASN A 14 -8.937 2.157 12.522 1.00 0.00 N ATOM 219 CA ASN A 14 -8.200 0.895 12.273 1.00 0.00 C ATOM 220 C ASN A 14 -9.131 -0.156 11.660 1.00 0.00 C ATOM 221 O ASN A 14 -10.285 -0.275 12.025 1.00 0.00 O ATOM 222 CB ASN A 14 -7.658 0.378 13.604 1.00 0.00 C ATOM 223 CG ASN A 14 -6.461 1.226 14.043 1.00 0.00 C ATOM 224 OD1 ASN A 14 -5.613 1.663 13.150 1.00 0.00 O flip ATOM 225 ND2 ASN A 14 -6.288 1.486 15.216 1.00 0.00 N flip ATOM 0 H ASN A 14 -9.269 2.280 13.479 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.383 1.084 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.439 0.414 14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.359 -0.665 13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.948 1.147 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.483 2.044 15.501 1.00 0.00 H new ATOM 232 N GLY A 15 -8.622 -0.931 10.739 1.00 0.00 N ATOM 233 CA GLY A 15 -9.448 -1.993 10.099 1.00 0.00 C ATOM 234 C GLY A 15 -10.416 -1.369 9.094 1.00 0.00 C ATOM 235 O GLY A 15 -11.468 -0.881 9.452 1.00 0.00 O ATOM 0 H GLY A 15 -7.661 -0.872 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.803 -2.713 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.004 -2.541 10.860 1.00 0.00 H new ATOM 239 N GLN A 16 -10.079 -1.398 7.832 1.00 0.00 N ATOM 240 CA GLN A 16 -10.989 -0.820 6.804 1.00 0.00 C ATOM 241 C GLN A 16 -10.447 -1.123 5.407 1.00 0.00 C ATOM 242 O GLN A 16 -9.254 -1.097 5.171 1.00 0.00 O ATOM 243 CB GLN A 16 -11.102 0.695 6.995 1.00 0.00 C ATOM 244 CG GLN A 16 -9.713 1.328 6.949 1.00 0.00 C ATOM 245 CD GLN A 16 -9.838 2.830 7.205 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.569 3.248 8.080 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.151 3.666 6.476 1.00 0.00 N ATOM 0 H GLN A 16 -9.213 -1.797 7.470 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.977 -1.267 6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.732 1.123 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.581 0.916 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.067 0.871 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.250 1.149 5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.537 3.316 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.228 4.670 6.641 1.00 0.00 H new ATOM 256 N TRP A 17 -11.323 -1.423 4.482 1.00 0.00 N ATOM 257 CA TRP A 17 -10.884 -1.743 3.092 1.00 0.00 C ATOM 258 C TRP A 17 -10.931 -0.479 2.230 1.00 0.00 C ATOM 259 O TRP A 17 -11.870 0.291 2.289 1.00 0.00 O ATOM 260 CB TRP A 17 -11.827 -2.794 2.506 1.00 0.00 C ATOM 261 CG TRP A 17 -11.629 -4.084 3.231 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.135 -4.373 4.451 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.886 -5.261 2.805 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.740 -5.650 4.807 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.972 -6.241 3.822 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.153 -5.572 1.646 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.350 -7.484 3.695 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.526 -6.821 1.514 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.625 -7.776 2.536 1.00 0.00 C ATOM 0 H TRP A 17 -12.331 -1.460 4.633 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.863 -2.125 3.108 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.862 -2.465 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.629 -2.926 1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.747 -3.715 5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.986 -6.100 5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.072 -4.845 0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.428 -8.215 4.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.964 -7.048 0.620 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.142 -8.736 2.428 1.00 0.00 H new ATOM 280 N ALA A 18 -9.930 -0.262 1.421 1.00 0.00 N ATOM 281 CA ALA A 18 -9.927 0.950 0.555 1.00 0.00 C ATOM 282 C ALA A 18 -8.712 0.917 -0.370 1.00 0.00 C ATOM 283 O ALA A 18 -7.898 0.014 -0.310 1.00 0.00 O ATOM 284 CB ALA A 18 -9.872 2.209 1.426 1.00 0.00 C ATOM 0 H ALA A 18 -9.117 -0.870 1.323 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.838 0.965 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.870 3.093 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.743 2.236 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.964 2.195 2.029 1.00 0.00 H new ATOM 290 N ASN A 19 -8.589 1.897 -1.233 1.00 0.00 N ATOM 291 CA ASN A 19 -7.435 1.943 -2.182 1.00 0.00 C ATOM 292 C ASN A 19 -6.454 3.029 -1.745 1.00 0.00 C ATOM 293 O ASN A 19 -6.841 4.046 -1.204 1.00 0.00 O ATOM 294 CB ASN A 19 -7.952 2.268 -3.580 1.00 0.00 C ATOM 295 CG ASN A 19 -8.795 1.099 -4.085 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.830 0.053 -3.470 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.478 1.230 -5.187 1.00 0.00 N ATOM 0 H ASN A 19 -9.245 2.673 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.929 0.978 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.549 3.180 -3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.117 2.450 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.042 0.454 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.449 2.109 -5.704 1.00 0.00 H new ATOM 304 N LEU A 20 -5.182 2.825 -1.982 1.00 0.00 N ATOM 305 CA LEU A 20 -4.164 3.849 -1.587 1.00 0.00 C ATOM 306 C LEU A 20 -3.089 3.956 -2.666 1.00 0.00 C ATOM 307 O LEU A 20 -2.562 2.964 -3.130 1.00 0.00 O ATOM 308 CB LEU A 20 -3.517 3.440 -0.257 1.00 0.00 C ATOM 309 CG LEU A 20 -2.375 4.407 0.100 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.892 5.853 0.131 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.819 4.036 1.478 1.00 0.00 C ATOM 0 H LEU A 20 -4.803 1.992 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.654 4.816 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.266 3.442 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.132 2.423 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.591 4.330 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.074 6.527 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.290 6.118 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.680 5.942 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.009 4.717 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.611 4.113 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.441 3.014 1.455 1.00 0.00 H new ATOM 323 N LYS A 21 -2.748 5.161 -3.050 1.00 0.00 N ATOM 324 CA LYS A 21 -1.688 5.373 -4.083 1.00 0.00 C ATOM 325 C LYS A 21 -0.530 6.140 -3.451 1.00 0.00 C ATOM 326 O LYS A 21 -0.733 7.072 -2.697 1.00 0.00 O ATOM 327 CB LYS A 21 -2.263 6.182 -5.243 1.00 0.00 C ATOM 328 CG LYS A 21 -1.154 6.461 -6.260 1.00 0.00 C ATOM 329 CD LYS A 21 -1.759 7.011 -7.553 1.00 0.00 C ATOM 330 CE LYS A 21 -2.428 8.362 -7.285 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.647 9.071 -8.577 1.00 0.00 N ATOM 0 H LYS A 21 -3.165 6.018 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.335 4.411 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.077 5.633 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.681 7.120 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.443 7.177 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.601 5.545 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.982 7.124 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.490 6.307 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.379 8.214 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.803 8.966 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.101 9.989 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.733 9.224 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.260 8.496 -9.189 1.00 0.00 H new ATOM 345 N ALA A 22 0.686 5.762 -3.736 1.00 0.00 N ATOM 346 CA ALA A 22 1.836 6.489 -3.124 1.00 0.00 C ATOM 347 C ALA A 22 3.115 6.206 -3.907 1.00 0.00 C ATOM 348 O ALA A 22 3.130 5.412 -4.827 1.00 0.00 O ATOM 349 CB ALA A 22 2.020 6.029 -1.678 1.00 0.00 C ATOM 0 H ALA A 22 0.932 4.992 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 22 1.630 7.559 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.860 6.560 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.114 6.241 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.217 4.957 -1.659 1.00 0.00 H new ATOM 355 N LYS A 23 4.192 6.861 -3.545 1.00 0.00 N ATOM 356 CA LYS A 23 5.492 6.656 -4.255 1.00 0.00 C ATOM 357 C LYS A 23 6.472 5.928 -3.341 1.00 0.00 C ATOM 358 O LYS A 23 6.634 6.266 -2.188 1.00 0.00 O ATOM 359 CB LYS A 23 6.069 8.017 -4.639 1.00 0.00 C ATOM 360 CG LYS A 23 7.368 7.824 -5.425 1.00 0.00 C ATOM 361 CD LYS A 23 7.894 9.188 -5.882 1.00 0.00 C ATOM 362 CE LYS A 23 9.176 8.995 -6.693 1.00 0.00 C ATOM 363 NZ LYS A 23 10.265 8.511 -5.798 1.00 0.00 N ATOM 0 H LYS A 23 4.225 7.535 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 23 5.328 6.057 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.348 8.572 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.259 8.608 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.111 7.325 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.192 7.182 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.142 9.696 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.090 9.822 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.006 8.278 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.467 9.935 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.156 8.461 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.376 9.168 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.024 7.566 -5.438 1.00 0.00 H new ATOM 377 N VAL A 24 7.127 4.924 -3.852 1.00 0.00 N ATOM 378 CA VAL A 24 8.096 4.169 -3.017 1.00 0.00 C ATOM 379 C VAL A 24 9.397 4.962 -2.891 1.00 0.00 C ATOM 380 O VAL A 24 9.994 5.359 -3.872 1.00 0.00 O ATOM 381 CB VAL A 24 8.373 2.818 -3.682 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.522 2.106 -2.961 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.111 1.948 -3.618 1.00 0.00 C ATOM 0 H VAL A 24 7.032 4.595 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 24 7.682 4.011 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 24 8.652 2.982 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.713 1.146 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.420 2.721 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.252 1.943 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.308 0.986 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.831 1.789 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.296 2.450 -4.140 1.00 0.00 H new ATOM 393 N ILE A 25 9.843 5.181 -1.679 1.00 0.00 N ATOM 394 CA ILE A 25 11.112 5.933 -1.447 1.00 0.00 C ATOM 395 C ILE A 25 12.176 4.954 -0.958 1.00 0.00 C ATOM 396 O ILE A 25 13.343 5.079 -1.271 1.00 0.00 O ATOM 397 CB ILE A 25 10.876 7.016 -0.399 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.237 6.398 0.847 1.00 0.00 C ATOM 399 CG2 ILE A 25 9.944 8.085 -0.974 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.086 7.475 1.918 1.00 0.00 C ATOM 0 H ILE A 25 9.374 4.866 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 25 11.446 6.405 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 25 11.829 7.470 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.263 5.975 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.854 5.581 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.774 8.860 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.401 8.528 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.992 7.629 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.631 7.041 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.067 7.877 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.452 8.277 1.541 1.00 0.00 H new ATOM 412 N GLN A 26 11.782 3.963 -0.207 1.00 0.00 N ATOM 413 CA GLN A 26 12.774 2.970 0.273 1.00 0.00 C ATOM 414 C GLN A 26 12.050 1.720 0.771 1.00 0.00 C ATOM 415 O GLN A 26 11.072 1.792 1.505 1.00 0.00 O ATOM 416 CB GLN A 26 13.614 3.571 1.400 1.00 0.00 C ATOM 417 CG GLN A 26 14.849 2.696 1.631 1.00 0.00 C ATOM 418 CD GLN A 26 15.763 3.363 2.658 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.730 2.674 3.201 1.00 0.00 O flip ATOM 420 NE2 GLN A 26 15.606 4.527 2.962 1.00 0.00 N flip ATOM 0 H GLN A 26 10.820 3.801 0.092 1.00 0.00 H new ATOM 0 HA GLN A 26 13.434 2.698 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.916 4.586 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.024 3.636 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.548 1.709 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.384 2.550 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.851 5.067 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.229 4.965 3.640 1.00 0.00 H new ATOM 429 N LEU A 27 12.530 0.570 0.368 1.00 0.00 N ATOM 430 CA LEU A 27 11.903 -0.717 0.787 1.00 0.00 C ATOM 431 C LEU A 27 13.005 -1.655 1.286 1.00 0.00 C ATOM 432 O LEU A 27 14.058 -1.756 0.688 1.00 0.00 O ATOM 433 CB LEU A 27 11.143 -1.352 -0.406 1.00 0.00 C ATOM 434 CG LEU A 27 11.669 -0.803 -1.746 1.00 0.00 C ATOM 435 CD1 LEU A 27 13.102 -1.294 -1.986 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.773 -1.297 -2.884 1.00 0.00 C ATOM 0 H LEU A 27 13.341 0.469 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 27 11.185 -0.541 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.259 -2.436 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.077 -1.143 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 27 11.661 0.286 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.467 -0.902 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.746 -0.946 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.113 -2.384 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.143 -0.910 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.783 -2.387 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.753 -0.947 -2.722 1.00 0.00 H new ATOM 448 N TRP A 28 12.772 -2.336 2.380 1.00 0.00 N ATOM 449 CA TRP A 28 13.805 -3.267 2.935 1.00 0.00 C ATOM 450 C TRP A 28 13.296 -4.706 2.845 1.00 0.00 C ATOM 451 O TRP A 28 12.238 -5.035 3.342 1.00 0.00 O ATOM 452 CB TRP A 28 14.058 -2.903 4.397 1.00 0.00 C ATOM 453 CG TRP A 28 14.262 -1.425 4.507 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.041 -0.684 3.685 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.688 -0.496 5.472 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.988 0.637 4.089 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.167 0.804 5.186 1.00 0.00 C ATOM 458 CE3 TRP A 28 12.811 -0.655 6.560 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.787 1.908 5.950 1.00 0.00 C ATOM 460 CZ3 TRP A 28 12.426 0.453 7.330 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.914 1.733 7.027 1.00 0.00 C ATOM 0 H TRP A 28 11.906 -2.287 2.916 1.00 0.00 H new ATOM 0 HA TRP A 28 14.730 -3.179 2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.214 -3.213 5.013 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.935 -3.432 4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 28 15.611 -1.063 2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 28 15.494 1.396 3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.431 -1.636 6.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.165 2.891 5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 11.750 0.320 8.161 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.616 2.581 7.625 1.00 0.00 H new ATOM 472 N GLU A 29 14.051 -5.565 2.214 1.00 0.00 N ATOM 473 CA GLU A 29 13.626 -6.985 2.081 1.00 0.00 C ATOM 474 C GLU A 29 13.558 -7.624 3.464 1.00 0.00 C ATOM 475 O GLU A 29 14.437 -7.445 4.284 1.00 0.00 O ATOM 476 CB GLU A 29 14.637 -7.731 1.203 1.00 0.00 C ATOM 477 CG GLU A 29 15.995 -7.835 1.919 1.00 0.00 C ATOM 478 CD GLU A 29 15.996 -9.020 2.890 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.409 -10.036 2.556 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.590 -8.893 3.948 1.00 0.00 O ATOM 0 H GLU A 29 14.948 -5.341 1.783 1.00 0.00 H new ATOM 0 HA GLU A 29 12.641 -7.038 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.262 -8.729 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.758 -7.210 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.792 -7.957 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.199 -6.912 2.461 1.00 0.00 H new ATOM 547 N SER A 34 6.018 -14.970 6.800 1.00 0.00 N ATOM 548 CA SER A 34 4.720 -14.226 6.889 1.00 0.00 C ATOM 549 C SER A 34 4.858 -12.881 6.183 1.00 0.00 C ATOM 550 O SER A 34 3.980 -12.463 5.454 1.00 0.00 O ATOM 551 CB SER A 34 4.319 -13.989 8.351 1.00 0.00 C ATOM 552 OG SER A 34 4.910 -12.778 8.805 1.00 0.00 O ATOM 0 HA SER A 34 3.947 -14.827 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.234 -13.934 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.647 -14.823 8.971 1.00 0.00 H new ATOM 0 HG SER A 34 4.656 -12.620 9.738 1.00 0.00 H new ATOM 558 N ILE A 35 5.956 -12.202 6.392 1.00 0.00 N ATOM 559 CA ILE A 35 6.167 -10.875 5.735 1.00 0.00 C ATOM 560 C ILE A 35 7.257 -10.991 4.671 1.00 0.00 C ATOM 561 O ILE A 35 8.398 -11.300 4.958 1.00 0.00 O ATOM 562 CB ILE A 35 6.574 -9.857 6.801 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.386 -9.616 7.735 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.980 -8.541 6.135 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.832 -8.801 8.948 1.00 0.00 C ATOM 0 H ILE A 35 6.720 -12.510 6.993 1.00 0.00 H new ATOM 0 HA ILE A 35 5.246 -10.548 5.252 1.00 0.00 H new ATOM 0 HB ILE A 35 7.421 -10.241 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.595 -9.088 7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.969 -10.569 8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.269 -7.820 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.822 -8.717 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.139 -8.147 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.980 -8.634 9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.607 -9.346 9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.227 -7.841 8.616 1.00 0.00 H new ATOM 577 N SER A 36 6.906 -10.739 3.440 1.00 0.00 N ATOM 578 CA SER A 36 7.900 -10.819 2.336 1.00 0.00 C ATOM 579 C SER A 36 8.774 -9.567 2.345 1.00 0.00 C ATOM 580 O SER A 36 9.985 -9.639 2.288 1.00 0.00 O ATOM 581 CB SER A 36 7.159 -10.902 1.006 1.00 0.00 C ATOM 582 OG SER A 36 8.101 -10.999 -0.054 1.00 0.00 O ATOM 0 H SER A 36 5.963 -10.479 3.151 1.00 0.00 H new ATOM 0 HA SER A 36 8.526 -11.701 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.497 -11.768 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.532 -10.021 0.871 1.00 0.00 H new ATOM 0 HG SER A 36 7.626 -11.054 -0.910 1.00 0.00 H new ATOM 588 N GLN A 37 8.166 -8.411 2.412 1.00 0.00 N ATOM 589 CA GLN A 37 8.962 -7.149 2.418 1.00 0.00 C ATOM 590 C GLN A 37 8.257 -6.091 3.261 1.00 0.00 C ATOM 591 O GLN A 37 7.051 -6.093 3.408 1.00 0.00 O ATOM 592 CB GLN A 37 9.113 -6.633 0.984 1.00 0.00 C ATOM 593 CG GLN A 37 9.882 -5.308 0.999 1.00 0.00 C ATOM 594 CD GLN A 37 10.218 -4.893 -0.432 1.00 0.00 C ATOM 595 OE1 GLN A 37 11.126 -5.427 -1.034 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.518 -3.953 -1.006 1.00 0.00 N ATOM 0 H GLN A 37 7.155 -8.287 2.463 1.00 0.00 H new ATOM 0 HA GLN A 37 9.945 -7.351 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.642 -7.366 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.132 -6.492 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.284 -4.535 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.797 -5.414 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.755 -3.504 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.734 -3.667 -1.961 1.00 0.00 H new ATOM 605 N VAL A 38 9.010 -5.172 3.802 1.00 0.00 N ATOM 606 CA VAL A 38 8.408 -4.086 4.627 1.00 0.00 C ATOM 607 C VAL A 38 9.162 -2.783 4.372 1.00 0.00 C ATOM 608 O VAL A 38 10.363 -2.774 4.188 1.00 0.00 O ATOM 609 CB VAL A 38 8.483 -4.462 6.109 1.00 0.00 C ATOM 610 CG1 VAL A 38 9.933 -4.395 6.598 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.631 -3.480 6.915 1.00 0.00 C ATOM 0 H VAL A 38 10.025 -5.127 3.707 1.00 0.00 H new ATOM 0 HA VAL A 38 7.361 -3.953 4.353 1.00 0.00 H new ATOM 0 HB VAL A 38 8.111 -5.478 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.974 -4.664 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.544 -5.090 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.315 -3.382 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.678 -3.740 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.010 -2.468 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.597 -3.531 6.575 1.00 0.00 H new ATOM 621 N GLY A 39 8.468 -1.681 4.353 1.00 0.00 N ATOM 622 CA GLY A 39 9.154 -0.388 4.101 1.00 0.00 C ATOM 623 C GLY A 39 8.173 0.762 4.273 1.00 0.00 C ATOM 624 O GLY A 39 7.206 0.655 5.001 1.00 0.00 O ATOM 0 H GLY A 39 7.461 -1.621 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.990 -0.270 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.568 -0.377 3.093 1.00 0.00 H new ATOM 628 N LEU A 40 8.421 1.872 3.620 1.00 0.00 N ATOM 629 CA LEU A 40 7.505 3.052 3.763 1.00 0.00 C ATOM 630 C LEU A 40 7.257 3.676 2.387 1.00 0.00 C ATOM 631 O LEU A 40 8.088 3.604 1.503 1.00 0.00 O ATOM 632 CB LEU A 40 8.131 4.101 4.730 1.00 0.00 C ATOM 633 CG LEU A 40 9.573 3.719 5.088 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.478 3.904 3.862 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.060 4.620 6.223 1.00 0.00 C ATOM 0 H LEU A 40 9.215 2.014 2.996 1.00 0.00 H new ATOM 0 HA LEU A 40 6.554 2.722 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.116 5.086 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.532 4.169 5.638 1.00 0.00 H new ATOM 0 HG LEU A 40 9.608 2.676 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.501 3.632 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.127 3.266 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.450 4.946 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.085 4.355 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.025 5.661 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.418 4.487 7.094 1.00 0.00 H new ATOM 647 N LEU A 41 6.111 4.291 2.208 1.00 0.00 N ATOM 648 CA LEU A 41 5.780 4.933 0.899 1.00 0.00 C ATOM 649 C LEU A 41 5.662 6.444 1.090 1.00 0.00 C ATOM 650 O LEU A 41 4.935 6.924 1.938 1.00 0.00 O ATOM 651 CB LEU A 41 4.449 4.382 0.394 1.00 0.00 C ATOM 652 CG LEU A 41 4.510 2.852 0.343 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.164 2.309 -0.143 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.623 2.398 -0.612 1.00 0.00 C ATOM 0 H LEU A 41 5.386 4.375 2.920 1.00 0.00 H new ATOM 0 HA LEU A 41 6.566 4.718 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.640 4.702 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.232 4.780 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 41 4.724 2.469 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.203 1.220 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.377 2.620 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.952 2.699 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.657 1.309 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.422 2.781 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.581 2.782 -0.262 1.00 0.00 H new ATOM 666 N GLY A 42 6.386 7.195 0.307 1.00 0.00 N ATOM 667 CA GLY A 42 6.347 8.678 0.427 1.00 0.00 C ATOM 668 C GLY A 42 5.060 9.239 -0.182 1.00 0.00 C ATOM 669 O GLY A 42 4.421 8.618 -1.008 1.00 0.00 O ATOM 0 H GLY A 42 7.009 6.840 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.413 8.964 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.212 9.111 -0.076 1.00 0.00 H new ATOM 673 N ASP A 43 4.689 10.425 0.217 1.00 0.00 N ATOM 674 CA ASP A 43 3.460 11.059 -0.332 1.00 0.00 C ATOM 675 C ASP A 43 3.396 12.515 0.137 1.00 0.00 C ATOM 676 O ASP A 43 3.906 12.864 1.183 1.00 0.00 O ATOM 677 CB ASP A 43 2.219 10.317 0.168 1.00 0.00 C ATOM 678 CG ASP A 43 0.992 10.801 -0.609 1.00 0.00 C ATOM 679 OD1 ASP A 43 1.125 11.030 -1.801 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.058 10.935 -0.002 1.00 0.00 O ATOM 0 H ASP A 43 5.190 10.986 0.906 1.00 0.00 H new ATOM 0 HA ASP A 43 3.489 11.016 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.346 9.242 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.081 10.493 1.235 1.00 0.00 H new ATOM 685 N GLU A 44 2.776 13.366 -0.630 1.00 0.00 N ATOM 686 CA GLU A 44 2.672 14.799 -0.238 1.00 0.00 C ATOM 687 C GLU A 44 1.948 14.911 1.105 1.00 0.00 C ATOM 688 O GLU A 44 1.970 15.941 1.751 1.00 0.00 O ATOM 689 CB GLU A 44 1.892 15.553 -1.319 1.00 0.00 C ATOM 690 CG GLU A 44 0.455 15.022 -1.382 1.00 0.00 C ATOM 691 CD GLU A 44 -0.276 15.667 -2.561 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.028 16.808 -2.869 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.128 15.009 -3.135 1.00 0.00 O ATOM 0 H GLU A 44 2.334 13.129 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 44 3.668 15.232 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.886 16.621 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.379 15.429 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.461 13.938 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.067 15.244 -0.451 1.00 0.00 H new ATOM 700 N THR A 45 1.292 13.863 1.528 1.00 0.00 N ATOM 701 CA THR A 45 0.555 13.912 2.824 1.00 0.00 C ATOM 702 C THR A 45 1.466 13.406 3.942 1.00 0.00 C ATOM 703 O THR A 45 1.181 13.584 5.109 1.00 0.00 O ATOM 704 CB THR A 45 -0.685 13.020 2.730 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.279 11.662 2.642 1.00 0.00 O ATOM 706 CG2 THR A 45 -1.491 13.396 1.485 1.00 0.00 C ATOM 0 H THR A 45 1.235 12.974 1.031 1.00 0.00 H new ATOM 0 HA THR A 45 0.252 14.937 3.039 1.00 0.00 H new ATOM 0 HB THR A 45 -1.305 13.159 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.110 11.431 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.374 12.761 1.418 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.799 14.439 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.875 13.256 0.597 1.00 0.00 H new ATOM 714 N GLY A 46 2.568 12.789 3.598 1.00 0.00 N ATOM 715 CA GLY A 46 3.505 12.285 4.649 1.00 0.00 C ATOM 716 C GLY A 46 4.070 10.927 4.237 1.00 0.00 C ATOM 717 O GLY A 46 4.199 10.625 3.067 1.00 0.00 O ATOM 0 H GLY A 46 2.860 12.612 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.317 12.997 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.983 12.197 5.602 1.00 0.00 H new ATOM 721 N ILE A 47 4.411 10.108 5.202 1.00 0.00 N ATOM 722 CA ILE A 47 4.978 8.756 4.902 1.00 0.00 C ATOM 723 C ILE A 47 4.163 7.697 5.632 1.00 0.00 C ATOM 724 O ILE A 47 3.778 7.877 6.770 1.00 0.00 O ATOM 725 CB ILE A 47 6.428 8.692 5.378 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.268 9.669 4.556 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.962 7.269 5.193 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.660 9.801 5.172 1.00 0.00 C ATOM 0 H ILE A 47 4.320 10.321 6.195 1.00 0.00 H new ATOM 0 HA ILE A 47 4.940 8.576 3.828 1.00 0.00 H new ATOM 0 HB ILE A 47 6.483 8.962 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.348 9.318 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.781 10.644 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.997 7.222 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.357 6.575 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.913 6.996 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.254 10.499 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.572 10.172 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.148 8.826 5.181 1.00 0.00 H new ATOM 740 N ILE A 48 3.893 6.592 4.980 1.00 0.00 N ATOM 741 CA ILE A 48 3.092 5.505 5.625 1.00 0.00 C ATOM 742 C ILE A 48 3.826 4.169 5.507 1.00 0.00 C ATOM 743 O ILE A 48 4.471 3.878 4.519 1.00 0.00 O ATOM 744 CB ILE A 48 1.728 5.402 4.938 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.848 4.382 5.680 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.912 4.952 3.485 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.554 4.861 7.112 1.00 0.00 C ATOM 0 H ILE A 48 4.194 6.396 4.025 1.00 0.00 H new ATOM 0 HA ILE A 48 2.955 5.742 6.680 1.00 0.00 H new ATOM 0 HB ILE A 48 1.246 6.379 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.088 4.239 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.350 3.415 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.938 4.880 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.529 5.678 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.400 3.978 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.070 4.126 7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.491 4.980 7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.032 5.817 7.076 1.00 0.00 H new ATOM 759 N LYS A 49 3.724 3.357 6.522 1.00 0.00 N ATOM 760 CA LYS A 49 4.402 2.033 6.503 1.00 0.00 C ATOM 761 C LYS A 49 3.532 1.016 5.775 1.00 0.00 C ATOM 762 O LYS A 49 2.318 1.080 5.815 1.00 0.00 O ATOM 763 CB LYS A 49 4.631 1.567 7.942 1.00 0.00 C ATOM 764 CG LYS A 49 5.664 2.480 8.627 1.00 0.00 C ATOM 765 CD LYS A 49 7.098 1.993 8.330 1.00 0.00 C ATOM 766 CE LYS A 49 7.512 0.929 9.350 1.00 0.00 C ATOM 767 NZ LYS A 49 8.840 0.372 8.971 1.00 0.00 N ATOM 0 H LYS A 49 3.195 3.557 7.371 1.00 0.00 H new ATOM 0 HA LYS A 49 5.357 2.122 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.692 1.587 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.983 0.535 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.542 3.505 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.493 2.489 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.150 1.582 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.791 2.833 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.559 1.365 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.768 0.133 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.123 -0.351 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.779 -0.058 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.546 1.135 8.959 1.00 0.00 H new ATOM 781 N PHE A 50 4.139 0.069 5.111 1.00 0.00 N ATOM 782 CA PHE A 50 3.345 -0.958 4.381 1.00 0.00 C ATOM 783 C PHE A 50 4.059 -2.304 4.469 1.00 0.00 C ATOM 784 O PHE A 50 5.248 -2.372 4.728 1.00 0.00 O ATOM 785 CB PHE A 50 3.194 -0.539 2.912 1.00 0.00 C ATOM 786 CG PHE A 50 4.500 -0.733 2.164 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.552 0.177 2.326 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.648 -1.822 1.296 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.749 -0.005 1.619 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.843 -2.003 0.592 1.00 0.00 C ATOM 791 CZ PHE A 50 6.892 -1.095 0.753 1.00 0.00 C ATOM 0 H PHE A 50 5.151 -0.037 5.043 1.00 0.00 H new ATOM 0 HA PHE A 50 2.356 -1.046 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.407 -1.127 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.888 0.506 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.441 1.018 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.837 -2.524 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.561 0.696 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.955 -2.844 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.814 -1.234 0.209 1.00 0.00 H new ATOM 801 N THR A 51 3.348 -3.377 4.250 1.00 0.00 N ATOM 802 CA THR A 51 3.991 -4.722 4.313 1.00 0.00 C ATOM 803 C THR A 51 3.353 -5.651 3.279 1.00 0.00 C ATOM 804 O THR A 51 2.157 -5.627 3.061 1.00 0.00 O ATOM 805 CB THR A 51 3.796 -5.309 5.713 1.00 0.00 C ATOM 806 OG1 THR A 51 4.157 -6.681 5.704 1.00 0.00 O ATOM 807 CG2 THR A 51 2.336 -5.163 6.137 1.00 0.00 C ATOM 0 H THR A 51 2.352 -3.381 4.031 1.00 0.00 H new ATOM 0 HA THR A 51 5.055 -4.624 4.099 1.00 0.00 H new ATOM 0 HB THR A 51 4.428 -4.772 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.034 -7.057 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.203 -5.583 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.064 -4.107 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.697 -5.695 5.432 1.00 0.00 H new ATOM 815 N ILE A 52 4.150 -6.477 2.645 1.00 0.00 N ATOM 816 CA ILE A 52 3.615 -7.429 1.623 1.00 0.00 C ATOM 817 C ILE A 52 3.636 -8.847 2.193 1.00 0.00 C ATOM 818 O ILE A 52 4.675 -9.375 2.537 1.00 0.00 O ATOM 819 CB ILE A 52 4.491 -7.364 0.372 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.412 -5.951 -0.217 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.994 -8.382 -0.655 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.443 -5.794 -1.336 1.00 0.00 C ATOM 0 H ILE A 52 5.158 -6.532 2.794 1.00 0.00 H new ATOM 0 HA ILE A 52 2.591 -7.159 1.365 1.00 0.00 H new ATOM 0 HB ILE A 52 5.524 -7.596 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.410 -5.765 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.594 -5.212 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.619 -8.335 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.045 -9.384 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.962 -8.154 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.381 -4.787 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.443 -5.960 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.241 -6.522 -2.122 1.00 0.00 H new ATOM 834 N TRP A 53 2.492 -9.467 2.309 1.00 0.00 N ATOM 835 CA TRP A 53 2.442 -10.845 2.874 1.00 0.00 C ATOM 836 C TRP A 53 2.678 -11.878 1.767 1.00 0.00 C ATOM 837 O TRP A 53 2.186 -11.752 0.664 1.00 0.00 O ATOM 838 CB TRP A 53 1.068 -11.070 3.507 1.00 0.00 C ATOM 839 CG TRP A 53 0.921 -10.162 4.688 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.712 -8.827 4.617 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.964 -10.496 6.106 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.633 -8.317 5.901 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.778 -9.307 6.854 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.144 -11.700 6.809 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.772 -9.316 8.250 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.138 -11.711 8.215 1.00 0.00 C ATOM 847 CH2 TRP A 53 0.953 -10.522 8.932 1.00 0.00 C ATOM 0 H TRP A 53 1.590 -9.077 2.036 1.00 0.00 H new ATOM 0 HA TRP A 53 3.221 -10.958 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.281 -10.872 2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.962 -12.110 3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.622 -8.253 3.707 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.486 -7.331 6.117 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.288 -12.622 6.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.628 -8.397 8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.277 -12.642 8.745 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.950 -10.537 10.012 1.00 0.00 H new ATOM 858 N LYS A 54 3.433 -12.903 2.063 1.00 0.00 N ATOM 859 CA LYS A 54 3.715 -13.960 1.050 1.00 0.00 C ATOM 860 C LYS A 54 2.405 -14.422 0.400 1.00 0.00 C ATOM 861 O LYS A 54 2.398 -14.984 -0.677 1.00 0.00 O ATOM 862 CB LYS A 54 4.382 -15.145 1.749 1.00 0.00 C ATOM 863 CG LYS A 54 5.783 -14.747 2.221 1.00 0.00 C ATOM 864 CD LYS A 54 6.433 -15.932 2.942 1.00 0.00 C ATOM 865 CE LYS A 54 7.823 -15.531 3.442 1.00 0.00 C ATOM 866 NZ LYS A 54 8.727 -15.320 2.278 1.00 0.00 N ATOM 0 H LYS A 54 3.870 -13.054 2.972 1.00 0.00 H new ATOM 0 HA LYS A 54 4.373 -13.562 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.779 -15.464 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.445 -15.993 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.394 -14.446 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.723 -13.889 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.811 -16.246 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.511 -16.784 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.759 -14.619 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.225 -16.308 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.716 -15.333 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.579 -16.078 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.518 -14.401 1.839 1.00 0.00 H new ATOM 919 N LEU A 58 3.140 -11.337 -4.761 1.00 0.00 N ATOM 920 CA LEU A 58 3.429 -10.276 -5.775 1.00 0.00 C ATOM 921 C LEU A 58 4.934 -9.944 -5.762 1.00 0.00 C ATOM 922 O LEU A 58 5.571 -9.997 -4.728 1.00 0.00 O ATOM 923 CB LEU A 58 2.636 -9.018 -5.422 1.00 0.00 C ATOM 924 CG LEU A 58 1.159 -9.376 -5.233 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.393 -8.134 -4.775 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.570 -9.886 -6.557 1.00 0.00 C ATOM 0 HA LEU A 58 3.144 -10.631 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.032 -8.571 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.742 -8.276 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 58 1.071 -10.159 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.659 -8.385 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.806 -7.779 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.485 -7.351 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.481 -10.139 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.657 -9.109 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.116 -10.772 -6.880 1.00 0.00 H new ATOM 938 N PRO A 59 5.500 -9.597 -6.899 1.00 0.00 N ATOM 939 CA PRO A 59 6.952 -9.245 -7.006 1.00 0.00 C ATOM 940 C PRO A 59 7.301 -7.926 -6.291 1.00 0.00 C ATOM 941 O PRO A 59 6.443 -7.125 -5.979 1.00 0.00 O ATOM 942 CB PRO A 59 7.198 -9.146 -8.523 1.00 0.00 C ATOM 943 CG PRO A 59 5.858 -8.854 -9.123 1.00 0.00 C ATOM 944 CD PRO A 59 4.824 -9.509 -8.207 1.00 0.00 C ATOM 0 HA PRO A 59 7.584 -9.988 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.913 -8.357 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.611 -10.075 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.690 -7.779 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.790 -9.254 -10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.913 -8.913 -8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.536 -10.494 -8.573 1.00 0.00 H new ATOM 952 N LEU A 60 8.563 -7.714 -6.014 1.00 0.00 N ATOM 953 CA LEU A 60 8.985 -6.471 -5.301 1.00 0.00 C ATOM 954 C LEU A 60 8.705 -5.235 -6.158 1.00 0.00 C ATOM 955 O LEU A 60 8.717 -5.284 -7.373 1.00 0.00 O ATOM 956 CB LEU A 60 10.480 -6.544 -4.990 1.00 0.00 C ATOM 957 CG LEU A 60 10.788 -7.827 -4.209 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.288 -7.882 -3.905 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.991 -7.850 -2.894 1.00 0.00 C ATOM 0 H LEU A 60 9.322 -8.352 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 60 8.416 -6.391 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.054 -6.525 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.783 -5.673 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 60 10.502 -8.692 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.514 -8.792 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.849 -7.879 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.571 -7.014 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.217 -8.765 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.266 -6.987 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.924 -7.813 -3.114 1.00 0.00 H new ATOM 971 N LEU A 61 8.437 -4.126 -5.518 1.00 0.00 N ATOM 972 CA LEU A 61 8.133 -2.868 -6.261 1.00 0.00 C ATOM 973 C LEU A 61 9.428 -2.106 -6.563 1.00 0.00 C ATOM 974 O LEU A 61 10.317 -2.011 -5.740 1.00 0.00 O ATOM 975 CB LEU A 61 7.204 -2.006 -5.399 1.00 0.00 C ATOM 976 CG LEU A 61 5.763 -2.507 -5.538 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.669 -3.953 -5.043 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.836 -1.620 -4.704 1.00 0.00 C ATOM 0 H LEU A 61 8.416 -4.038 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 61 7.648 -3.106 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.516 -2.049 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.268 -0.963 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 61 5.464 -2.466 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.643 -4.306 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.330 -4.585 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.968 -3.999 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.810 -1.974 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.137 -1.662 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.900 -0.591 -5.059 1.00 0.00 H new ATOM 990 N GLU A 62 9.537 -1.568 -7.747 1.00 0.00 N ATOM 991 CA GLU A 62 10.767 -0.818 -8.126 1.00 0.00 C ATOM 992 C GLU A 62 10.886 0.455 -7.284 1.00 0.00 C ATOM 993 O GLU A 62 9.923 1.160 -7.052 1.00 0.00 O ATOM 994 CB GLU A 62 10.690 -0.454 -9.609 1.00 0.00 C ATOM 995 CG GLU A 62 12.007 0.178 -10.064 1.00 0.00 C ATOM 996 CD GLU A 62 13.113 -0.877 -10.028 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.782 -2.052 -10.041 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.270 -0.494 -9.989 1.00 0.00 O ATOM 0 H GLU A 62 8.822 -1.616 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 62 11.644 -1.440 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.482 -1.346 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.867 0.240 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.902 0.578 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.265 1.015 -9.415 1.00 0.00 H new ATOM 1005 N GLN A 63 12.069 0.740 -6.816 1.00 0.00 N ATOM 1006 CA GLN A 63 12.282 1.949 -5.972 1.00 0.00 C ATOM 1007 C GLN A 63 12.224 3.222 -6.825 1.00 0.00 C ATOM 1008 O GLN A 63 12.809 3.302 -7.889 1.00 0.00 O ATOM 1009 CB GLN A 63 13.655 1.847 -5.306 1.00 0.00 C ATOM 1010 CG GLN A 63 13.817 2.980 -4.292 1.00 0.00 C ATOM 1011 CD GLN A 63 15.229 2.942 -3.706 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.387 2.710 -2.433 1.00 0.00 O flip ATOM 1013 NE2 GLN A 63 16.199 3.123 -4.413 1.00 0.00 N flip ATOM 0 H GLN A 63 12.906 0.181 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 63 11.496 2.002 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.759 0.883 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.441 1.904 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.637 3.941 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.079 2.879 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.077 3.305 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.136 3.093 -4.011 1.00 0.00 H new ATOM 1022 N GLY A 64 11.539 4.229 -6.348 1.00 0.00 N ATOM 1023 CA GLY A 64 11.450 5.511 -7.105 1.00 0.00 C ATOM 1024 C GLY A 64 10.341 5.425 -8.151 1.00 0.00 C ATOM 1025 O GLY A 64 10.410 6.052 -9.188 1.00 0.00 O ATOM 0 H GLY A 64 11.035 4.217 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.251 6.335 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.403 5.723 -7.590 1.00 0.00 H new ATOM 1029 N GLU A 65 9.314 4.650 -7.893 1.00 0.00 N ATOM 1030 CA GLU A 65 8.196 4.523 -8.880 1.00 0.00 C ATOM 1031 C GLU A 65 6.845 4.578 -8.166 1.00 0.00 C ATOM 1032 O GLU A 65 6.695 4.126 -7.046 1.00 0.00 O ATOM 1033 CB GLU A 65 8.324 3.195 -9.628 1.00 0.00 C ATOM 1034 CG GLU A 65 9.580 3.212 -10.506 1.00 0.00 C ATOM 1035 CD GLU A 65 9.438 4.280 -11.593 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.314 4.658 -11.879 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.455 4.704 -12.119 1.00 0.00 O ATOM 0 H GLU A 65 9.202 4.100 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 65 8.255 5.351 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.377 2.370 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.441 3.028 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.459 3.416 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.729 2.233 -10.962 1.00 0.00 H new ATOM 1044 N SER A 66 5.861 5.138 -8.818 1.00 0.00 N ATOM 1045 CA SER A 66 4.510 5.239 -8.205 1.00 0.00 C ATOM 1046 C SER A 66 3.781 3.902 -8.316 1.00 0.00 C ATOM 1047 O SER A 66 4.012 3.125 -9.222 1.00 0.00 O ATOM 1048 CB SER A 66 3.710 6.321 -8.924 1.00 0.00 C ATOM 1049 OG SER A 66 3.839 6.139 -10.326 1.00 0.00 O ATOM 0 H SER A 66 5.939 5.532 -9.756 1.00 0.00 H new ATOM 0 HA SER A 66 4.613 5.497 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.661 6.269 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.072 7.309 -8.638 1.00 0.00 H new ATOM 0 HG SER A 66 4.067 5.205 -10.515 1.00 0.00 H new ATOM 1055 N TYR A 67 2.889 3.634 -7.400 1.00 0.00 N ATOM 1056 CA TYR A 67 2.129 2.353 -7.441 1.00 0.00 C ATOM 1057 C TYR A 67 0.706 2.586 -6.954 1.00 0.00 C ATOM 1058 O TYR A 67 0.458 3.418 -6.096 1.00 0.00 O ATOM 1059 CB TYR A 67 2.810 1.329 -6.536 1.00 0.00 C ATOM 1060 CG TYR A 67 4.130 0.933 -7.140 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.171 -0.039 -8.145 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.312 1.536 -6.698 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.396 -0.411 -8.706 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.538 1.164 -7.259 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.579 0.191 -8.265 1.00 0.00 C ATOM 1066 OH TYR A 67 7.786 -0.178 -8.818 1.00 0.00 O ATOM 0 H TYR A 67 2.654 4.251 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 67 2.106 1.980 -8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.963 1.750 -5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.174 0.452 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.257 -0.502 -8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.278 2.288 -5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.429 -1.163 -9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.452 1.627 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 67 7.720 -0.150 -9.795 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.229 1.847 -7.494 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.655 1.987 -7.082 1.00 0.00 C ATOM 1078 C LEU A 68 -2.073 0.721 -6.332 1.00 0.00 C ATOM 1079 O LEU A 68 -2.014 -0.374 -6.861 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.511 2.168 -8.343 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.000 2.013 -8.016 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.380 2.941 -6.860 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.825 2.389 -9.249 1.00 0.00 C ATOM 0 H LEU A 68 -0.061 1.143 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.790 2.850 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.329 3.153 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.220 1.433 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.200 0.980 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.440 2.825 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.791 2.685 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.180 3.975 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.886 2.281 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.616 3.422 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.561 1.732 -10.077 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.496 0.865 -5.102 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.924 -0.318 -4.300 1.00 0.00 C ATOM 1097 C LEU A 69 -4.443 -0.449 -4.365 1.00 0.00 C ATOM 1098 O LEU A 69 -5.161 0.522 -4.223 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.502 -0.120 -2.847 1.00 0.00 C ATOM 1100 CG LEU A 69 -1.001 0.170 -2.779 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.579 0.314 -1.315 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.213 -0.973 -3.439 1.00 0.00 C ATOM 0 H LEU A 69 -2.563 1.759 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.459 -1.219 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.062 0.705 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.736 -1.012 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.788 1.097 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.490 0.521 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.130 1.135 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.796 -0.611 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.854 -0.757 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.421 -1.907 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.513 -1.066 -4.483 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.936 -1.648 -4.580 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.415 -1.864 -4.662 1.00 0.00 C ATOM 1116 C ARG A 70 -6.842 -2.991 -3.720 1.00 0.00 C ATOM 1117 O ARG A 70 -6.187 -4.010 -3.610 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.788 -2.230 -6.098 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.620 -0.998 -6.988 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.874 -1.374 -8.450 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.273 -1.870 -8.605 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.258 -1.034 -8.818 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -9.029 0.248 -8.907 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.475 -1.488 -8.946 1.00 0.00 N ATOM 0 H ARG A 70 -4.373 -2.489 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.927 -0.948 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.154 -3.042 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.817 -2.587 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.315 -0.217 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.614 -0.593 -6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.711 -0.508 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.168 -2.142 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.464 -2.870 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.078 0.604 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.801 0.894 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.655 -2.490 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.246 -0.841 -9.112 1.00 0.00 H new ATOM 1138 N SER A 71 -7.950 -2.801 -3.052 1.00 0.00 N ATOM 1139 CA SER A 71 -8.477 -3.833 -2.110 1.00 0.00 C ATOM 1140 C SER A 71 -7.435 -4.165 -1.040 1.00 0.00 C ATOM 1141 O SER A 71 -7.005 -5.295 -0.914 1.00 0.00 O ATOM 1142 CB SER A 71 -8.858 -5.098 -2.885 1.00 0.00 C ATOM 1143 OG SER A 71 -10.086 -4.876 -3.563 1.00 0.00 O ATOM 0 H SER A 71 -8.522 -1.959 -3.121 1.00 0.00 H new ATOM 0 HA SER A 71 -9.364 -3.436 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.075 -5.351 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.953 -5.943 -2.203 1.00 0.00 H new ATOM 0 HG SER A 71 -10.334 -5.682 -4.062 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.044 -3.190 -0.251 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.046 -3.440 0.839 1.00 0.00 C ATOM 1151 C VAL A 72 -6.701 -3.193 2.193 1.00 0.00 C ATOM 1152 O VAL A 72 -7.714 -2.523 2.292 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.846 -2.504 0.673 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.033 -2.922 -0.555 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.339 -1.063 0.492 1.00 0.00 C ATOM 0 H VAL A 72 -7.375 -2.228 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.703 -4.473 0.781 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.217 -2.564 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.179 -2.254 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.679 -3.945 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.661 -2.865 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.484 -0.398 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.970 -1.003 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.914 -0.762 1.368 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.129 -3.742 3.237 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.702 -3.571 4.606 1.00 0.00 C ATOM 1167 C VAL A 73 -5.728 -2.776 5.470 1.00 0.00 C ATOM 1168 O VAL A 73 -4.536 -3.016 5.468 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.932 -4.951 5.232 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.592 -5.669 5.437 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.629 -4.782 6.582 1.00 0.00 C ATOM 0 H VAL A 73 -5.281 -4.307 3.197 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.649 -3.035 4.543 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.555 -5.547 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.768 -6.648 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.094 -5.792 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.960 -5.078 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.795 -5.761 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.003 -4.181 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.587 -4.283 6.437 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.225 -1.813 6.199 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.330 -0.984 7.056 1.00 0.00 C ATOM 1183 C VAL A 74 -5.175 -1.640 8.426 1.00 0.00 C ATOM 1184 O VAL A 74 -6.113 -1.739 9.193 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.937 0.407 7.212 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.902 1.345 7.833 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.343 0.939 5.835 1.00 0.00 C ATOM 0 H VAL A 74 -7.214 -1.565 6.238 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.348 -0.903 6.591 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.814 0.354 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.333 2.340 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.607 0.965 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.027 1.400 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.777 1.933 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.464 0.995 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.077 0.269 5.388 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.988 -2.094 8.738 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.749 -2.754 10.056 1.00 0.00 C ATOM 1199 C GLY A 75 -3.129 -1.756 11.033 1.00 0.00 C ATOM 1200 O GLY A 75 -2.769 -0.652 10.665 1.00 0.00 O ATOM 0 H GLY A 75 -3.169 -2.035 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.688 -3.134 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.087 -3.611 9.929 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.995 -2.146 12.278 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.393 -1.244 13.305 1.00 0.00 C ATOM 1206 C GLU A 76 -1.053 -1.821 13.759 1.00 0.00 C ATOM 1207 O GLU A 76 -0.973 -2.941 14.226 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.333 -1.143 14.505 1.00 0.00 C ATOM 1209 CG GLU A 76 -2.749 -0.159 15.520 1.00 0.00 C ATOM 1210 CD GLU A 76 -3.725 0.017 16.685 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.638 -0.784 16.793 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -3.542 0.953 17.445 1.00 0.00 O ATOM 0 H GLU A 76 -3.281 -3.061 12.628 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.240 -0.253 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.319 -0.809 14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.463 -2.123 14.964 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.791 -0.526 15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.560 0.802 15.042 1.00 0.00 H new ATOM 1219 N TYR A 77 0.003 -1.059 13.623 1.00 0.00 N ATOM 1220 CA TYR A 77 1.356 -1.542 14.039 1.00 0.00 C ATOM 1221 C TYR A 77 2.086 -0.437 14.810 1.00 0.00 C ATOM 1222 O TYR A 77 2.223 0.677 14.345 1.00 0.00 O ATOM 1223 CB TYR A 77 2.150 -1.929 12.790 1.00 0.00 C ATOM 1224 CG TYR A 77 3.574 -2.255 13.175 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.862 -3.443 13.856 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.604 -1.364 12.853 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.182 -3.741 14.212 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.922 -1.661 13.209 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.213 -2.849 13.889 1.00 0.00 C ATOM 1230 OH TYR A 77 7.514 -3.142 14.241 1.00 0.00 O ATOM 0 H TYR A 77 -0.014 -0.115 13.238 1.00 0.00 H new ATOM 0 HA TYR A 77 1.256 -2.411 14.689 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.688 -2.789 12.305 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.136 -1.111 12.070 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.066 -4.129 14.107 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.380 -0.447 12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.406 -4.659 14.736 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.717 -0.973 12.959 1.00 0.00 H new ATOM 0 HH TYR A 77 8.105 -2.420 13.941 1.00 0.00 H new ATOM 1240 N ASN A 78 2.556 -0.749 15.989 1.00 0.00 N ATOM 1241 CA ASN A 78 3.283 0.257 16.818 1.00 0.00 C ATOM 1242 C ASN A 78 2.393 1.482 17.052 1.00 0.00 C ATOM 1243 O ASN A 78 2.832 2.612 16.951 1.00 0.00 O ATOM 1244 CB ASN A 78 4.584 0.669 16.120 1.00 0.00 C ATOM 1245 CG ASN A 78 5.485 1.400 17.119 1.00 0.00 C ATOM 1246 OD1 ASN A 78 5.643 2.602 17.047 1.00 0.00 O ATOM 1247 ND2 ASN A 78 6.087 0.720 18.057 1.00 0.00 N ATOM 0 H ASN A 78 2.466 -1.670 16.418 1.00 0.00 H new ATOM 0 HA ASN A 78 3.529 -0.186 17.783 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.095 -0.211 15.729 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.365 1.315 15.270 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.689 1.198 18.728 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.956 -0.290 18.119 1.00 0.00 H new ATOM 1254 N ASP A 79 1.144 1.259 17.368 1.00 0.00 N ATOM 1255 CA ASP A 79 0.205 2.392 17.621 1.00 0.00 C ATOM 1256 C ASP A 79 0.202 3.328 16.416 1.00 0.00 C ATOM 1257 O ASP A 79 -0.033 4.513 16.539 1.00 0.00 O ATOM 1258 CB ASP A 79 0.639 3.162 18.878 1.00 0.00 C ATOM 1259 CG ASP A 79 0.361 2.309 20.116 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -0.366 1.337 19.989 1.00 0.00 O ATOM 1261 OD2 ASP A 79 0.880 2.638 21.171 1.00 0.00 O ATOM 0 H ASP A 79 0.731 0.331 17.462 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.800 1.999 17.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.700 3.405 18.821 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.099 4.106 18.944 1.00 0.00 H new ATOM 1266 N ARG A 80 0.462 2.797 15.247 1.00 0.00 N ATOM 1267 CA ARG A 80 0.483 3.639 14.010 1.00 0.00 C ATOM 1268 C ARG A 80 -0.362 2.979 12.921 1.00 0.00 C ATOM 1269 O ARG A 80 -0.523 1.774 12.884 1.00 0.00 O ATOM 1270 CB ARG A 80 1.926 3.784 13.526 1.00 0.00 C ATOM 1271 CG ARG A 80 1.964 4.715 12.312 1.00 0.00 C ATOM 1272 CD ARG A 80 3.411 4.901 11.855 1.00 0.00 C ATOM 1273 NE ARG A 80 3.460 5.952 10.799 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.520 6.082 10.048 1.00 0.00 C ATOM 1275 NH1 ARG A 80 5.544 5.294 10.220 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.554 7.003 9.125 1.00 0.00 N ATOM 0 H ARG A 80 0.662 1.808 15.095 1.00 0.00 H new ATOM 0 HA ARG A 80 0.071 4.623 14.232 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.551 4.184 14.325 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.333 2.808 13.262 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.367 4.297 11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.525 5.680 12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.038 5.188 12.700 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.807 3.962 11.469 1.00 0.00 H new ATOM 0 HE ARG A 80 2.662 6.572 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.518 4.574 10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.371 5.397 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.753 7.620 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.381 7.106 8.537 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.907 3.766 12.034 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.747 3.201 10.944 1.00 0.00 C ATOM 1292 C PHE A 81 -0.855 2.752 9.784 1.00 0.00 C ATOM 1293 O PHE A 81 0.131 3.387 9.467 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.709 4.284 10.452 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.573 4.749 11.598 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.736 4.041 11.926 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.219 5.889 12.332 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.541 4.469 12.987 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.026 6.317 13.394 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.188 5.608 13.720 1.00 0.00 C ATOM 0 H PHE A 81 -0.805 4.781 12.019 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.307 2.344 11.318 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.148 5.124 10.041 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.333 3.893 9.648 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.012 3.164 11.359 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.324 6.438 12.079 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.436 3.920 13.241 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.752 7.194 13.961 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.812 5.940 14.537 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.191 1.661 9.146 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.361 1.174 8.003 1.00 0.00 C ATOM 1312 C GLN A 82 -1.230 0.360 7.045 1.00 0.00 C ATOM 1313 O GLN A 82 -2.328 -0.039 7.382 1.00 0.00 O ATOM 1314 CB GLN A 82 0.776 0.298 8.527 1.00 0.00 C ATOM 1315 CG GLN A 82 0.217 -0.768 9.468 1.00 0.00 C ATOM 1316 CD GLN A 82 1.291 -1.823 9.723 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.940 -3.069 9.859 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 2.463 -1.511 9.787 1.00 0.00 N flip ATOM 0 H GLN A 82 -2.004 1.086 9.367 1.00 0.00 H new ATOM 0 HA GLN A 82 0.057 2.031 7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.296 -0.176 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.508 0.912 9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.094 -0.313 10.409 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.667 -1.230 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.737 -0.534 9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.173 -2.226 9.947 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.745 0.108 5.850 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.533 -0.685 4.851 1.00 0.00 C ATOM 1329 C VAL A 83 -0.894 -2.065 4.663 1.00 0.00 C ATOM 1330 O VAL A 83 0.307 -2.194 4.487 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.563 0.061 3.511 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.582 1.203 3.581 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.175 0.636 3.212 1.00 0.00 C ATOM 0 H VAL A 83 0.169 0.420 5.523 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.552 -0.812 5.215 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.848 -0.632 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.602 1.732 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.571 0.796 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.299 1.895 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.198 1.166 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.111 1.327 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.551 -0.175 3.159 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.700 -3.100 4.705 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.178 -4.490 4.538 1.00 0.00 C ATOM 1345 C GLN A 84 -1.715 -5.073 3.231 1.00 0.00 C ATOM 1346 O GLN A 84 -2.909 -5.157 3.019 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.655 -5.342 5.714 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.150 -4.721 7.017 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.563 -5.598 8.200 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.463 -6.526 8.028 1.00 0.00 O flip ATOM 1351 NE2 GLN A 84 -1.058 -5.438 9.294 1.00 0.00 N flip ATOM 0 H GLN A 84 -2.708 -3.038 4.850 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.088 -4.481 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.744 -5.398 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.284 -6.362 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.065 -4.621 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.559 -3.718 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.354 -4.712 9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.338 -6.029 10.076 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.839 -5.471 2.347 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.286 -6.044 1.044 1.00 0.00 C ATOM 1362 C VAL A 85 -1.424 -7.562 1.163 1.00 0.00 C ATOM 1363 O VAL A 85 -0.524 -8.248 1.613 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.253 -5.708 -0.028 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.775 -6.151 -1.396 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.014 -4.197 -0.041 1.00 0.00 C ATOM 0 H VAL A 85 0.172 -5.423 2.472 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.253 -5.620 0.773 1.00 0.00 H new ATOM 0 HB VAL A 85 0.681 -6.226 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.037 -5.911 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.952 -7.226 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.708 -5.631 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.723 -3.952 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.949 -3.683 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.355 -3.879 0.934 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.549 -8.094 0.751 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.767 -9.568 0.827 1.00 0.00 C ATOM 1378 C ASN A 86 -3.512 -10.034 -0.428 1.00 0.00 C ATOM 1379 O ASN A 86 -3.794 -9.260 -1.320 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.613 -9.897 2.061 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.099 -9.108 3.263 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.115 -9.474 3.874 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.729 -8.025 3.626 1.00 0.00 N ATOM 0 H ASN A 86 -3.330 -7.564 0.363 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.804 -10.074 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.658 -9.652 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.569 -10.966 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.395 -7.484 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.555 -7.719 3.112 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.822 -11.299 -0.498 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.542 -11.846 -1.686 1.00 0.00 C ATOM 1392 C LYS A 87 -5.691 -10.927 -2.102 1.00 0.00 C ATOM 1393 O LYS A 87 -6.106 -10.057 -1.365 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.093 -13.233 -1.353 1.00 0.00 C ATOM 1395 CG LYS A 87 -6.095 -13.144 -0.194 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.584 -14.553 0.155 1.00 0.00 C ATOM 1397 CE LYS A 87 -7.585 -14.483 1.312 1.00 0.00 C ATOM 1398 NZ LYS A 87 -8.055 -15.860 1.644 1.00 0.00 N ATOM 0 H LYS A 87 -3.605 -11.986 0.224 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.838 -11.914 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.579 -13.659 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.275 -13.902 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.625 -12.683 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.938 -12.512 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.052 -15.011 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.739 -15.183 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.118 -14.026 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.432 -13.854 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.735 -15.815 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.515 -16.280 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.243 -16.446 1.923 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.202 -11.123 -3.294 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.324 -10.281 -3.801 1.00 0.00 C ATOM 1414 C ASN A 88 -6.796 -8.882 -4.127 1.00 0.00 C ATOM 1415 O ASN A 88 -7.303 -8.202 -4.998 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.431 -10.191 -2.732 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.778 -9.903 -3.397 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.427 -10.796 -3.901 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.224 -8.679 -3.418 1.00 0.00 N ATOM 0 H ASN A 88 -5.882 -11.842 -3.944 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.741 -10.730 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.485 -11.125 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.194 -9.404 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.120 -8.470 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.677 -7.930 -2.994 1.00 0.00 H new ATOM 1426 N SER A 89 -5.786 -8.448 -3.429 1.00 0.00 N ATOM 1427 CA SER A 89 -5.227 -7.096 -3.682 1.00 0.00 C ATOM 1428 C SER A 89 -4.519 -7.063 -5.034 1.00 0.00 C ATOM 1429 O SER A 89 -3.999 -8.057 -5.500 1.00 0.00 O ATOM 1430 CB SER A 89 -4.231 -6.756 -2.579 1.00 0.00 C ATOM 1431 OG SER A 89 -4.811 -7.059 -1.318 1.00 0.00 O ATOM 0 H SER A 89 -5.322 -8.976 -2.690 1.00 0.00 H new ATOM 0 HA SER A 89 -6.037 -6.367 -3.691 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.311 -7.324 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.964 -5.700 -2.626 1.00 0.00 H new ATOM 0 HG SER A 89 -4.630 -7.995 -1.091 1.00 0.00 H new ATOM 1437 N SER A 90 -4.496 -5.916 -5.664 1.00 0.00 N ATOM 1438 CA SER A 90 -3.825 -5.787 -6.993 1.00 0.00 C ATOM 1439 C SER A 90 -2.928 -4.551 -6.985 1.00 0.00 C ATOM 1440 O SER A 90 -3.231 -3.559 -6.350 1.00 0.00 O ATOM 1441 CB SER A 90 -4.890 -5.638 -8.077 1.00 0.00 C ATOM 1442 OG SER A 90 -4.256 -5.523 -9.344 1.00 0.00 O ATOM 0 H SER A 90 -4.917 -5.056 -5.311 1.00 0.00 H new ATOM 0 HA SER A 90 -3.222 -6.673 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.558 -6.500 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.503 -4.758 -7.883 1.00 0.00 H new ATOM 0 HG SER A 90 -4.936 -5.429 -10.043 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.822 -4.606 -7.686 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.882 -3.443 -7.736 1.00 0.00 C ATOM 1450 C ILE A 91 -0.616 -3.072 -9.192 1.00 0.00 C ATOM 1451 O ILE A 91 -0.328 -3.921 -10.013 1.00 0.00 O ATOM 1452 CB ILE A 91 0.438 -3.825 -7.064 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.192 -4.082 -5.576 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.442 -2.682 -7.227 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.444 -4.692 -4.943 1.00 0.00 C ATOM 0 H ILE A 91 -1.527 -5.416 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.325 -2.594 -7.215 1.00 0.00 H new ATOM 0 HB ILE A 91 0.838 -4.727 -7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.063 -3.149 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.656 -4.755 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.383 -2.953 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.614 -2.497 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.045 -1.780 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.264 -4.873 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.680 -5.634 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.281 -4.003 -5.056 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.702 -1.804 -9.516 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.448 -1.356 -10.922 1.00 0.00 C ATOM 1469 C GLU A 92 0.622 -0.263 -10.924 1.00 0.00 C ATOM 1470 O GLU A 92 0.549 0.697 -10.182 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.747 -0.814 -11.521 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.496 -0.373 -12.963 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.813 0.065 -13.604 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.781 0.222 -12.878 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.832 0.236 -14.812 1.00 0.00 O ATOM 0 H GLU A 92 -0.938 -1.056 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.099 -2.198 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.521 -1.581 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.110 0.027 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.780 0.448 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.058 -1.192 -13.533 1.00 0.00 H new ATOM 1482 N LYS A 93 1.619 -0.407 -11.757 1.00 0.00 N ATOM 1483 CA LYS A 93 2.705 0.613 -11.821 1.00 0.00 C ATOM 1484 C LYS A 93 2.233 1.817 -12.636 1.00 0.00 C ATOM 1485 O LYS A 93 1.708 1.671 -13.723 1.00 0.00 O ATOM 1486 CB LYS A 93 3.933 -0.011 -12.491 1.00 0.00 C ATOM 1487 CG LYS A 93 5.073 1.010 -12.542 1.00 0.00 C ATOM 1488 CD LYS A 93 6.325 0.347 -13.123 1.00 0.00 C ATOM 1489 CE LYS A 93 7.475 1.357 -13.147 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.119 2.501 -14.034 1.00 0.00 N ATOM 0 H LYS A 93 1.727 -1.192 -12.399 1.00 0.00 H new ATOM 0 HA LYS A 93 2.960 0.943 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.250 -0.896 -11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.681 -0.339 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.783 1.864 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.280 1.390 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.601 -0.520 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.123 -0.014 -14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.678 1.716 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.386 0.877 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.984 3.010 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.643 2.144 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.482 3.148 -13.527 1.00 0.00 H new ATOM 1504 N LEU A 94 2.416 3.008 -12.118 1.00 0.00 N ATOM 1505 CA LEU A 94 1.979 4.238 -12.852 1.00 0.00 C ATOM 1506 C LEU A 94 3.196 5.025 -13.332 1.00 0.00 C ATOM 1507 O LEU A 94 4.171 5.191 -12.625 1.00 0.00 O ATOM 1508 CB LEU A 94 1.137 5.109 -11.918 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.077 4.313 -11.419 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.896 5.185 -10.459 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.955 3.879 -12.611 1.00 0.00 C ATOM 0 H LEU A 94 2.852 3.182 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 94 1.385 3.947 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.740 5.439 -11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.805 6.005 -12.442 1.00 0.00 H new ATOM 0 HG LEU A 94 0.269 3.421 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.759 4.622 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.276 5.474 -9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.236 6.080 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.813 3.315 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.303 4.762 -13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.370 3.253 -13.285 1.00 0.00 H new ATOM 1523 N SER A 95 3.137 5.510 -14.541 1.00 0.00 N ATOM 1524 CA SER A 95 4.268 6.293 -15.107 1.00 0.00 C ATOM 1525 C SER A 95 4.130 7.757 -14.693 1.00 0.00 C ATOM 1526 O SER A 95 4.786 8.624 -15.236 1.00 0.00 O ATOM 1527 CB SER A 95 4.237 6.188 -16.628 1.00 0.00 C ATOM 1528 OG SER A 95 3.038 6.778 -17.111 1.00 0.00 O ATOM 0 H SER A 95 2.341 5.395 -15.169 1.00 0.00 H new ATOM 0 HA SER A 95 5.213 5.899 -14.732 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.103 6.692 -17.057 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.292 5.143 -16.934 1.00 0.00 H new ATOM 0 HG SER A 95 3.013 6.715 -18.089 1.00 0.00 H new ATOM 1534 N GLU A 96 3.272 8.037 -13.740 1.00 0.00 N ATOM 1535 CA GLU A 96 3.072 9.447 -13.272 1.00 0.00 C ATOM 1536 C GLU A 96 3.473 9.558 -11.793 1.00 0.00 C ATOM 1537 O GLU A 96 2.658 9.366 -10.911 1.00 0.00 O ATOM 1538 CB GLU A 96 1.597 9.821 -13.422 1.00 0.00 C ATOM 1539 CG GLU A 96 1.230 9.805 -14.905 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.281 9.969 -15.064 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.924 10.323 -14.090 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.769 9.740 -16.158 1.00 0.00 O ATOM 0 H GLU A 96 2.697 7.343 -13.262 1.00 0.00 H new ATOM 0 HA GLU A 96 3.688 10.120 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.972 9.118 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.414 10.809 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.750 10.609 -15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.554 8.869 -15.359 1.00 0.00 H new ATOM 1549 N PRO A 97 4.719 9.875 -11.519 1.00 0.00 N ATOM 1550 CA PRO A 97 5.233 10.025 -10.119 1.00 0.00 C ATOM 1551 C PRO A 97 4.435 11.049 -9.300 1.00 0.00 C ATOM 1552 O PRO A 97 3.889 11.997 -9.828 1.00 0.00 O ATOM 1553 CB PRO A 97 6.691 10.489 -10.306 1.00 0.00 C ATOM 1554 CG PRO A 97 7.064 10.042 -11.681 1.00 0.00 C ATOM 1555 CD PRO A 97 5.783 10.111 -12.508 1.00 0.00 C ATOM 0 HA PRO A 97 5.144 9.094 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.777 11.571 -10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.346 10.046 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.836 10.684 -12.104 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.465 9.029 -11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.671 11.080 -12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.773 9.357 -13.295 1.00 0.00 H new ATOM 1563 N ILE A 98 4.359 10.855 -8.012 1.00 0.00 N ATOM 1564 CA ILE A 98 3.593 11.802 -7.157 1.00 0.00 C ATOM 1565 C ILE A 98 4.392 13.087 -6.978 1.00 0.00 C ATOM 1566 O ILE A 98 3.969 14.018 -6.324 1.00 0.00 O ATOM 1567 CB ILE A 98 3.348 11.155 -5.792 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.538 9.858 -5.967 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.606 12.132 -4.872 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.204 10.131 -6.680 1.00 0.00 C ATOM 0 H ILE A 98 4.796 10.079 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 98 2.639 12.036 -7.629 1.00 0.00 H new ATOM 0 HB ILE A 98 4.307 10.910 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.120 9.137 -6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.348 9.410 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.436 11.662 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.205 13.033 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.648 12.397 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.653 9.197 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.614 10.834 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.398 10.556 -7.665 1.00 0.00 H new