USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 51 THR OG1 : rot 180:sc= -0.0721 USER MOD Set 1.2: A 54 GLN : amide:sc= 0.716 K(o=1.6,f=-1.9) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 1 K(o=1.6,f=-6.5!) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 1.23 (180deg=0.0241) USER MOD Single : A 2 ASN : amide:sc= -0.514 K(o=-0.51,f=-3.2!) USER MOD Single : A 6 TYR OH : rot 130:sc= -0.346 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.842) USER MOD Single : A 22 SER OG : rot 92:sc= 1.24 USER MOD Single : A 23 SER OG : rot 76:sc= 1.28 USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 2.02 (180deg=0.66) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.685 X(o=-0.68,f=-0.58) USER MOD Single : A 36 ASN : amide:sc= -0.765! C(o=-0.76!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -179:sc= -0.717 (180deg=-0.77) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0378) USER MOD Single : A 47 SER OG : rot -46:sc= 1.9 USER MOD Single : A 50 THR OG1 : rot 150:sc= -0.237 USER MOD Single : A 60 GLN : amide:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 65 TYR OH : rot -114:sc= 0.795 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.464 8.960 -6.633 1.00 0.00 N ATOM 2 CA ALA A 1 -7.253 9.112 -5.809 1.00 0.00 C ATOM 3 C ALA A 1 -6.053 8.449 -6.467 1.00 0.00 C ATOM 4 O ALA A 1 -6.173 7.419 -7.135 1.00 0.00 O ATOM 5 CB ALA A 1 -7.409 8.524 -4.399 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.270 8.716 -6.023 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.662 9.853 -7.128 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.316 8.203 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.096 10.187 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.484 8.667 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.226 9.028 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.628 7.459 -4.471 1.00 0.00 H new ATOM 13 N ASN A 2 -4.866 8.971 -6.161 1.00 0.00 N ATOM 14 CA ASN A 2 -3.598 8.291 -6.407 1.00 0.00 C ATOM 15 C ASN A 2 -3.523 7.180 -5.354 1.00 0.00 C ATOM 16 O ASN A 2 -3.940 7.426 -4.219 1.00 0.00 O ATOM 17 CB ASN A 2 -2.402 9.253 -6.202 1.00 0.00 C ATOM 18 CG ASN A 2 -2.724 10.732 -6.353 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.078 11.385 -5.378 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.673 11.282 -7.547 1.00 0.00 N ATOM 0 H ASN A 2 -4.758 9.889 -5.730 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.549 7.916 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.990 9.087 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.621 8.993 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.930 12.262 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.377 10.729 -8.351 1.00 0.00 H new ATOM 27 N VAL A 3 -2.994 5.996 -5.673 1.00 0.00 N ATOM 28 CA VAL A 3 -2.700 4.955 -4.686 1.00 0.00 C ATOM 29 C VAL A 3 -1.306 4.424 -4.960 1.00 0.00 C ATOM 30 O VAL A 3 -0.874 4.331 -6.108 1.00 0.00 O ATOM 31 CB VAL A 3 -3.768 3.841 -4.688 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.444 2.680 -3.728 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.097 4.441 -4.236 1.00 0.00 C ATOM 0 H VAL A 3 -2.756 5.732 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.731 5.378 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.803 3.443 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.236 1.933 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.496 2.225 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.370 3.060 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.863 3.666 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.989 4.850 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.389 5.236 -4.922 1.00 0.00 H new ATOM 43 N GLU A 4 -0.578 4.112 -3.899 1.00 0.00 N ATOM 44 CA GLU A 4 0.828 3.781 -3.960 1.00 0.00 C ATOM 45 C GLU A 4 1.002 2.651 -2.963 1.00 0.00 C ATOM 46 O GLU A 4 0.638 2.842 -1.799 1.00 0.00 O ATOM 47 CB GLU A 4 1.621 5.055 -3.558 1.00 0.00 C ATOM 48 CG GLU A 4 2.823 5.510 -4.387 1.00 0.00 C ATOM 49 CD GLU A 4 3.417 6.816 -3.831 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.663 7.783 -3.570 1.00 0.00 O ATOM 51 OE2 GLU A 4 4.644 6.877 -3.594 1.00 0.00 O ATOM 0 H GLU A 4 -0.961 4.083 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 4 1.184 3.469 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.912 5.883 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.971 4.908 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.585 4.731 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.519 5.657 -5.423 1.00 0.00 H new ATOM 58 N ILE A 5 1.468 1.473 -3.397 1.00 0.00 N ATOM 59 CA ILE A 5 1.556 0.344 -2.471 1.00 0.00 C ATOM 60 C ILE A 5 2.883 -0.400 -2.578 1.00 0.00 C ATOM 61 O ILE A 5 3.102 -1.162 -3.515 1.00 0.00 O ATOM 62 CB ILE A 5 0.268 -0.507 -2.529 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.218 -1.346 -1.238 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.073 -1.426 -3.746 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.102 -2.087 -0.985 1.00 0.00 C ATOM 0 H ILE A 5 1.779 1.282 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 5 1.589 0.713 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.548 0.209 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.025 -2.078 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.415 -0.690 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.872 -1.960 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.061 -0.827 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.892 -2.144 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.032 -2.647 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.916 -1.366 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.296 -2.775 -1.807 1.00 0.00 H new ATOM 77 N TYR A 6 3.795 -0.148 -1.637 1.00 0.00 N ATOM 78 CA TYR A 6 5.096 -0.809 -1.625 1.00 0.00 C ATOM 79 C TYR A 6 4.980 -2.238 -1.088 1.00 0.00 C ATOM 80 O TYR A 6 4.241 -2.458 -0.124 1.00 0.00 O ATOM 81 CB TYR A 6 6.098 -0.013 -0.790 1.00 0.00 C ATOM 82 CG TYR A 6 6.686 1.228 -1.438 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.955 2.430 -1.511 1.00 0.00 C ATOM 84 CD2 TYR A 6 8.023 1.195 -1.883 1.00 0.00 C ATOM 85 CE1 TYR A 6 6.571 3.605 -1.986 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.658 2.370 -2.315 1.00 0.00 C ATOM 87 CZ TYR A 6 7.937 3.584 -2.352 1.00 0.00 C ATOM 88 OH TYR A 6 8.566 4.732 -2.724 1.00 0.00 O ATOM 0 H TYR A 6 3.653 0.512 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 6 5.456 -0.856 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.608 0.286 0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.918 -0.677 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.920 2.451 -1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.563 0.259 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.002 4.519 -2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.694 2.346 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 6 9.403 4.824 -2.222 1.00 0.00 H new ATOM 98 N THR A 7 5.735 -3.182 -1.667 1.00 0.00 N ATOM 99 CA THR A 7 5.608 -4.627 -1.439 1.00 0.00 C ATOM 100 C THR A 7 6.967 -5.363 -1.539 1.00 0.00 C ATOM 101 O THR A 7 7.993 -4.711 -1.727 1.00 0.00 O ATOM 102 CB THR A 7 4.571 -5.172 -2.440 1.00 0.00 C ATOM 103 OG1 THR A 7 4.877 -4.850 -3.783 1.00 0.00 O ATOM 104 CG2 THR A 7 3.161 -4.647 -2.168 1.00 0.00 C ATOM 0 H THR A 7 6.476 -2.952 -2.329 1.00 0.00 H new ATOM 0 HA THR A 7 5.267 -4.809 -0.420 1.00 0.00 H new ATOM 0 HB THR A 7 4.609 -6.252 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.189 -5.221 -4.373 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.470 -5.062 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.849 -4.945 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.157 -3.559 -2.241 1.00 0.00 H new ATOM 112 N LYS A 8 7.024 -6.703 -1.417 1.00 0.00 N ATOM 113 CA LYS A 8 8.240 -7.494 -1.714 1.00 0.00 C ATOM 114 C LYS A 8 7.820 -8.745 -2.494 1.00 0.00 C ATOM 115 O LYS A 8 6.664 -8.861 -2.895 1.00 0.00 O ATOM 116 CB LYS A 8 9.085 -7.867 -0.461 1.00 0.00 C ATOM 117 CG LYS A 8 8.447 -7.763 0.935 1.00 0.00 C ATOM 118 CD LYS A 8 9.445 -7.450 2.062 1.00 0.00 C ATOM 119 CE LYS A 8 10.600 -8.456 2.123 1.00 0.00 C ATOM 120 NZ LYS A 8 11.369 -8.313 3.372 1.00 0.00 N ATOM 0 H LYS A 8 6.233 -7.269 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 8 8.903 -6.868 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.426 -8.894 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.972 -7.234 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.682 -6.986 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.942 -8.702 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.848 -6.448 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.920 -7.447 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.206 -9.470 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.260 -8.308 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.144 -9.007 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.764 -7.352 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.743 -8.479 4.186 1.00 0.00 H new ATOM 134 N GLU A 9 8.729 -9.697 -2.688 1.00 0.00 N ATOM 135 CA GLU A 9 8.429 -11.006 -3.282 1.00 0.00 C ATOM 136 C GLU A 9 7.509 -11.880 -2.405 1.00 0.00 C ATOM 137 O GLU A 9 7.143 -12.990 -2.802 1.00 0.00 O ATOM 138 CB GLU A 9 9.742 -11.766 -3.557 1.00 0.00 C ATOM 139 CG GLU A 9 10.465 -12.173 -2.260 1.00 0.00 C ATOM 140 CD GLU A 9 11.586 -13.183 -2.484 1.00 0.00 C ATOM 141 OE1 GLU A 9 11.275 -14.376 -2.711 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.776 -12.822 -2.330 1.00 0.00 O ATOM 0 H GLU A 9 9.711 -9.583 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 9 7.892 -10.810 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.526 -12.658 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.402 -11.140 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.878 -11.282 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.739 -12.595 -1.565 1.00 0.00 H new ATOM 149 N THR A 10 7.192 -11.432 -1.188 1.00 0.00 N ATOM 150 CA THR A 10 6.541 -12.210 -0.147 1.00 0.00 C ATOM 151 C THR A 10 5.536 -11.294 0.569 1.00 0.00 C ATOM 152 O THR A 10 4.661 -10.746 -0.102 1.00 0.00 O ATOM 153 CB THR A 10 7.655 -12.877 0.702 1.00 0.00 C ATOM 154 OG1 THR A 10 7.122 -13.610 1.785 1.00 0.00 O ATOM 155 CG2 THR A 10 8.719 -11.904 1.245 1.00 0.00 C ATOM 0 H THR A 10 7.393 -10.476 -0.895 1.00 0.00 H new ATOM 0 HA THR A 10 5.933 -13.043 -0.500 1.00 0.00 H new ATOM 0 HB THR A 10 8.153 -13.544 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.853 -14.017 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.456 -12.458 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.214 -11.404 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.240 -11.160 1.882 1.00 0.00 H new ATOM 163 N CYS A 11 5.681 -11.066 1.879 1.00 0.00 N ATOM 164 CA CYS A 11 4.889 -10.178 2.715 1.00 0.00 C ATOM 165 C CYS A 11 3.400 -10.565 2.687 1.00 0.00 C ATOM 166 O CYS A 11 2.627 -9.998 1.911 1.00 0.00 O ATOM 167 CB CYS A 11 5.187 -8.728 2.331 1.00 0.00 C ATOM 168 SG CYS A 11 4.339 -7.465 3.290 1.00 0.00 S ATOM 0 H CYS A 11 6.411 -11.535 2.415 1.00 0.00 H new ATOM 0 HA CYS A 11 5.172 -10.285 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.261 -8.563 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.930 -8.592 1.281 1.00 0.00 H new ATOM 173 N PRO A 12 2.953 -11.510 3.537 1.00 0.00 N ATOM 174 CA PRO A 12 1.565 -11.962 3.571 1.00 0.00 C ATOM 175 C PRO A 12 0.568 -10.814 3.740 1.00 0.00 C ATOM 176 O PRO A 12 -0.468 -10.855 3.080 1.00 0.00 O ATOM 177 CB PRO A 12 1.466 -12.985 4.712 1.00 0.00 C ATOM 178 CG PRO A 12 2.743 -12.777 5.522 1.00 0.00 C ATOM 179 CD PRO A 12 3.745 -12.251 4.507 1.00 0.00 C ATOM 0 HA PRO A 12 1.296 -12.415 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.578 -12.816 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.401 -14.003 4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.588 -12.067 6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.085 -13.708 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.487 -11.609 4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.288 -13.067 4.031 1.00 0.00 H new ATOM 187 N TYR A 13 0.851 -9.791 4.555 1.00 0.00 N ATOM 188 CA TYR A 13 -0.048 -8.647 4.738 1.00 0.00 C ATOM 189 C TYR A 13 -0.013 -7.723 3.517 1.00 0.00 C ATOM 190 O TYR A 13 -1.061 -7.216 3.121 1.00 0.00 O ATOM 191 CB TYR A 13 0.275 -7.906 6.039 1.00 0.00 C ATOM 192 CG TYR A 13 -0.144 -8.675 7.285 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.618 -9.769 7.744 1.00 0.00 C ATOM 194 CD2 TYR A 13 -1.331 -8.329 7.962 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.188 -10.526 8.847 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.769 -9.080 9.068 1.00 0.00 C ATOM 197 CZ TYR A 13 -1.012 -10.188 9.509 1.00 0.00 C ATOM 198 OH TYR A 13 -1.431 -10.947 10.558 1.00 0.00 O ATOM 0 H TYR A 13 1.708 -9.733 5.105 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.069 -9.017 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.347 -7.711 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.225 -6.937 6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.540 -10.027 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.909 -7.480 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.775 -11.366 9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.682 -8.810 9.579 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.272 -10.586 10.908 1.00 0.00 H new ATOM 208 N CYS A 14 1.129 -7.566 2.840 1.00 0.00 N ATOM 209 CA CYS A 14 1.157 -6.888 1.546 1.00 0.00 C ATOM 210 C CYS A 14 0.236 -7.622 0.578 1.00 0.00 C ATOM 211 O CYS A 14 -0.591 -7.000 -0.093 1.00 0.00 O ATOM 212 CB CYS A 14 2.560 -6.870 0.931 1.00 0.00 C ATOM 213 SG CYS A 14 3.918 -6.110 1.847 1.00 0.00 S ATOM 0 H CYS A 14 2.037 -7.897 3.165 1.00 0.00 H new ATOM 0 HA CYS A 14 0.835 -5.860 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.841 -7.903 0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.489 -6.362 -0.031 1.00 0.00 H new ATOM 218 N HIS A 15 0.363 -8.948 0.508 1.00 0.00 N ATOM 219 CA HIS A 15 -0.495 -9.757 -0.332 1.00 0.00 C ATOM 220 C HIS A 15 -1.960 -9.616 0.085 1.00 0.00 C ATOM 221 O HIS A 15 -2.785 -9.494 -0.811 1.00 0.00 O ATOM 222 CB HIS A 15 -0.013 -11.208 -0.352 1.00 0.00 C ATOM 223 CG HIS A 15 -0.880 -12.080 -1.223 1.00 0.00 C ATOM 224 ND1 HIS A 15 -1.248 -11.835 -2.537 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.517 -13.212 -0.802 1.00 0.00 C ATOM 226 CE1 HIS A 15 -2.106 -12.806 -2.896 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.274 -13.663 -1.868 1.00 0.00 N ATOM 0 H HIS A 15 1.060 -9.479 1.030 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.434 -9.393 -1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.015 -11.243 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.008 -11.602 0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.444 -13.667 0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.587 -12.887 -3.860 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.858 -14.499 -1.876 1.00 0.00 H new ATOM 236 N ARG A 16 -2.304 -9.555 1.383 1.00 0.00 N ATOM 237 CA ARG A 16 -3.675 -9.283 1.819 1.00 0.00 C ATOM 238 C ARG A 16 -4.172 -7.988 1.178 1.00 0.00 C ATOM 239 O ARG A 16 -5.218 -7.996 0.540 1.00 0.00 O ATOM 240 CB ARG A 16 -3.816 -9.169 3.350 1.00 0.00 C ATOM 241 CG ARG A 16 -3.622 -10.401 4.243 1.00 0.00 C ATOM 242 CD ARG A 16 -4.679 -11.502 4.078 1.00 0.00 C ATOM 243 NE ARG A 16 -4.365 -12.630 4.977 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.898 -12.876 6.185 1.00 0.00 C ATOM 245 NH1 ARG A 16 -5.973 -12.223 6.615 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.343 -13.783 6.982 1.00 0.00 N ATOM 0 H ARG A 16 -1.644 -9.692 2.148 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.276 -10.134 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.104 -8.414 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.813 -8.778 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.641 -10.828 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.617 -10.078 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.669 -11.107 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.703 -11.844 3.043 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.667 -13.295 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.412 -11.517 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.359 -12.428 7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.513 -14.291 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.747 -13.971 7.900 1.00 0.00 H new ATOM 260 N ALA A 17 -3.427 -6.886 1.313 1.00 0.00 N ATOM 261 CA ALA A 17 -3.837 -5.604 0.752 1.00 0.00 C ATOM 262 C ALA A 17 -3.986 -5.694 -0.766 1.00 0.00 C ATOM 263 O ALA A 17 -5.009 -5.273 -1.296 1.00 0.00 O ATOM 264 CB ALA A 17 -2.843 -4.506 1.147 1.00 0.00 C ATOM 0 H ALA A 17 -2.536 -6.861 1.808 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.812 -5.344 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.163 -3.555 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.806 -4.422 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.853 -4.759 0.768 1.00 0.00 H new ATOM 270 N LYS A 18 -3.004 -6.243 -1.487 1.00 0.00 N ATOM 271 CA LYS A 18 -3.114 -6.328 -2.944 1.00 0.00 C ATOM 272 C LYS A 18 -4.296 -7.199 -3.354 1.00 0.00 C ATOM 273 O LYS A 18 -5.006 -6.837 -4.291 1.00 0.00 O ATOM 274 CB LYS A 18 -1.825 -6.849 -3.594 1.00 0.00 C ATOM 275 CG LYS A 18 -0.587 -5.966 -3.357 1.00 0.00 C ATOM 276 CD LYS A 18 0.337 -5.942 -4.580 1.00 0.00 C ATOM 277 CE LYS A 18 0.847 -7.337 -4.972 1.00 0.00 C ATOM 278 NZ LYS A 18 1.678 -7.311 -6.196 1.00 0.00 N ATOM 0 H LYS A 18 -2.143 -6.627 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.280 -5.313 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.620 -7.849 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.987 -6.944 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.905 -4.950 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.036 -6.336 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.197 -5.506 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.189 -5.294 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.430 -7.752 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.003 -8.001 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.730 -8.268 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.253 -6.664 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.636 -6.983 -5.958 1.00 0.00 H new ATOM 292 N ALA A 19 -4.531 -8.311 -2.658 1.00 0.00 N ATOM 293 CA ALA A 19 -5.644 -9.204 -2.915 1.00 0.00 C ATOM 294 C ALA A 19 -6.961 -8.465 -2.690 1.00 0.00 C ATOM 295 O ALA A 19 -7.862 -8.579 -3.514 1.00 0.00 O ATOM 296 CB ALA A 19 -5.533 -10.443 -2.021 1.00 0.00 C ATOM 0 H ALA A 19 -3.938 -8.616 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.618 -9.537 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.372 -11.110 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.598 -10.962 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.550 -10.139 -0.974 1.00 0.00 H new ATOM 302 N LEU A 20 -7.067 -7.656 -1.631 1.00 0.00 N ATOM 303 CA LEU A 20 -8.255 -6.851 -1.354 1.00 0.00 C ATOM 304 C LEU A 20 -8.530 -5.944 -2.547 1.00 0.00 C ATOM 305 O LEU A 20 -9.632 -5.929 -3.089 1.00 0.00 O ATOM 306 CB LEU A 20 -8.048 -6.010 -0.084 1.00 0.00 C ATOM 307 CG LEU A 20 -9.304 -5.206 0.318 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.196 -6.048 1.217 1.00 0.00 C ATOM 309 CD2 LEU A 20 -8.921 -3.934 1.070 1.00 0.00 C ATOM 0 H LEU A 20 -6.326 -7.543 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.108 -7.509 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.765 -6.667 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.218 -5.322 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.834 -4.939 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.079 -5.473 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.503 -6.949 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.647 -6.327 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.823 -3.386 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.371 -4.197 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.295 -3.309 0.433 1.00 0.00 H new ATOM 321 N LEU A 21 -7.517 -5.192 -2.974 1.00 0.00 N ATOM 322 CA LEU A 21 -7.681 -4.213 -4.033 1.00 0.00 C ATOM 323 C LEU A 21 -8.003 -4.882 -5.362 1.00 0.00 C ATOM 324 O LEU A 21 -8.828 -4.365 -6.112 1.00 0.00 O ATOM 325 CB LEU A 21 -6.397 -3.376 -4.135 1.00 0.00 C ATOM 326 CG LEU A 21 -6.057 -2.529 -2.894 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.743 -1.800 -3.156 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.116 -1.502 -2.493 1.00 0.00 C ATOM 0 H LEU A 21 -6.571 -5.247 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.523 -3.563 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.562 -4.047 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.485 -2.711 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.996 -3.228 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.484 -1.194 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.953 -2.528 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.852 -1.156 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.780 -0.959 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.271 -0.800 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.053 -2.013 -2.271 1.00 0.00 H new ATOM 340 N SER A 22 -7.413 -6.044 -5.628 1.00 0.00 N ATOM 341 CA SER A 22 -7.701 -6.830 -6.818 1.00 0.00 C ATOM 342 C SER A 22 -9.111 -7.421 -6.750 1.00 0.00 C ATOM 343 O SER A 22 -9.785 -7.486 -7.774 1.00 0.00 O ATOM 344 CB SER A 22 -6.665 -7.952 -6.970 1.00 0.00 C ATOM 345 OG SER A 22 -5.346 -7.446 -6.849 1.00 0.00 O ATOM 0 H SER A 22 -6.716 -6.468 -5.016 1.00 0.00 H new ATOM 0 HA SER A 22 -7.646 -6.174 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.836 -8.715 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.786 -8.434 -7.940 1.00 0.00 H new ATOM 0 HG SER A 22 -5.058 -7.503 -5.914 1.00 0.00 H new ATOM 351 N SER A 23 -9.592 -7.795 -5.561 1.00 0.00 N ATOM 352 CA SER A 23 -10.954 -8.271 -5.360 1.00 0.00 C ATOM 353 C SER A 23 -11.935 -7.141 -5.666 1.00 0.00 C ATOM 354 O SER A 23 -12.984 -7.380 -6.264 1.00 0.00 O ATOM 355 CB SER A 23 -11.155 -8.756 -3.920 1.00 0.00 C ATOM 356 OG SER A 23 -10.257 -9.792 -3.549 1.00 0.00 O ATOM 0 H SER A 23 -9.037 -7.774 -4.705 1.00 0.00 H new ATOM 0 HA SER A 23 -11.135 -9.110 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.030 -7.914 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.179 -9.112 -3.803 1.00 0.00 H new ATOM 0 HG SER A 23 -9.368 -9.412 -3.388 1.00 0.00 H new ATOM 362 N LYS A 24 -11.597 -5.897 -5.296 1.00 0.00 N ATOM 363 CA LYS A 24 -12.420 -4.743 -5.605 1.00 0.00 C ATOM 364 C LYS A 24 -12.099 -4.181 -6.997 1.00 0.00 C ATOM 365 O LYS A 24 -12.728 -3.214 -7.430 1.00 0.00 O ATOM 366 CB LYS A 24 -12.291 -3.767 -4.429 1.00 0.00 C ATOM 367 CG LYS A 24 -12.811 -4.456 -3.147 1.00 0.00 C ATOM 368 CD LYS A 24 -13.303 -3.523 -2.038 1.00 0.00 C ATOM 369 CE LYS A 24 -14.532 -2.714 -2.471 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.148 -2.015 -1.329 1.00 0.00 N ATOM 0 H LYS A 24 -10.748 -5.675 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.476 -4.997 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.251 -3.467 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.862 -2.860 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.628 -5.123 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.013 -5.079 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.549 -4.110 -1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.501 -2.841 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.242 -1.988 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.264 -3.379 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.510 -1.091 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.933 -2.586 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.437 -1.874 -0.583 1.00 0.00 H new ATOM 384 N GLY A 25 -11.153 -4.796 -7.712 1.00 0.00 N ATOM 385 CA GLY A 25 -10.843 -4.576 -9.117 1.00 0.00 C ATOM 386 C GLY A 25 -10.294 -3.178 -9.352 1.00 0.00 C ATOM 387 O GLY A 25 -10.382 -2.648 -10.463 1.00 0.00 O ATOM 0 H GLY A 25 -10.549 -5.504 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.115 -5.315 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.742 -4.721 -9.716 1.00 0.00 H new ATOM 391 N VAL A 26 -9.771 -2.552 -8.301 1.00 0.00 N ATOM 392 CA VAL A 26 -9.429 -1.134 -8.346 1.00 0.00 C ATOM 393 C VAL A 26 -8.156 -0.938 -9.169 1.00 0.00 C ATOM 394 O VAL A 26 -7.383 -1.876 -9.377 1.00 0.00 O ATOM 395 CB VAL A 26 -9.332 -0.527 -6.931 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.513 -0.958 -6.044 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.004 -0.854 -6.254 1.00 0.00 C ATOM 0 H VAL A 26 -9.575 -3.005 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.231 -0.588 -8.843 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.380 0.555 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.408 -0.510 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.448 -0.626 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.521 -2.044 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.982 -0.406 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.897 -1.935 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.184 -0.455 -6.850 1.00 0.00 H new ATOM 407 N SER A 27 -7.912 0.297 -9.588 1.00 0.00 N ATOM 408 CA SER A 27 -6.697 0.694 -10.267 1.00 0.00 C ATOM 409 C SER A 27 -5.779 1.347 -9.231 1.00 0.00 C ATOM 410 O SER A 27 -6.164 2.341 -8.615 1.00 0.00 O ATOM 411 CB SER A 27 -7.091 1.617 -11.420 1.00 0.00 C ATOM 412 OG SER A 27 -7.850 0.898 -12.378 1.00 0.00 O ATOM 0 H SER A 27 -8.572 1.064 -9.460 1.00 0.00 H new ATOM 0 HA SER A 27 -6.147 -0.142 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.671 2.459 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.197 2.031 -11.888 1.00 0.00 H new ATOM 0 HG SER A 27 -8.100 1.496 -13.113 1.00 0.00 H new ATOM 418 N PHE A 28 -4.603 0.765 -8.996 1.00 0.00 N ATOM 419 CA PHE A 28 -3.597 1.197 -8.024 1.00 0.00 C ATOM 420 C PHE A 28 -2.193 0.955 -8.597 1.00 0.00 C ATOM 421 O PHE A 28 -2.066 0.204 -9.572 1.00 0.00 O ATOM 422 CB PHE A 28 -3.791 0.447 -6.698 1.00 0.00 C ATOM 423 CG PHE A 28 -3.667 -1.072 -6.750 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.714 -1.864 -7.258 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.516 -1.705 -6.248 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.621 -3.266 -7.260 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.429 -3.109 -6.227 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.479 -3.893 -6.735 1.00 0.00 C ATOM 0 H PHE A 28 -4.310 -0.067 -9.507 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.711 2.263 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.060 0.824 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.778 0.695 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.600 -1.388 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.695 -1.110 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.427 -3.861 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.551 -3.587 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.408 -4.971 -6.722 1.00 0.00 H new ATOM 438 N GLN A 29 -1.142 1.523 -7.990 1.00 0.00 N ATOM 439 CA GLN A 29 0.248 1.300 -8.402 1.00 0.00 C ATOM 440 C GLN A 29 0.942 0.549 -7.278 1.00 0.00 C ATOM 441 O GLN A 29 0.774 0.895 -6.110 1.00 0.00 O ATOM 442 CB GLN A 29 0.976 2.627 -8.685 1.00 0.00 C ATOM 443 CG GLN A 29 2.514 2.558 -8.575 1.00 0.00 C ATOM 444 CD GLN A 29 3.231 3.814 -9.070 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.759 4.543 -9.939 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.409 4.096 -8.546 1.00 0.00 N ATOM 0 H GLN A 29 -1.235 2.154 -7.194 1.00 0.00 H new ATOM 0 HA GLN A 29 0.268 0.725 -9.328 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.712 2.963 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.610 3.382 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.786 2.384 -7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.870 1.700 -9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.804 3.493 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.925 4.917 -8.863 1.00 0.00 H new ATOM 455 N GLU A 30 1.786 -0.408 -7.640 1.00 0.00 N ATOM 456 CA GLU A 30 2.543 -1.270 -6.753 1.00 0.00 C ATOM 457 C GLU A 30 3.995 -0.838 -6.860 1.00 0.00 C ATOM 458 O GLU A 30 4.446 -0.466 -7.947 1.00 0.00 O ATOM 459 CB GLU A 30 2.437 -2.729 -7.215 1.00 0.00 C ATOM 460 CG GLU A 30 0.995 -3.245 -7.305 1.00 0.00 C ATOM 461 CD GLU A 30 0.903 -4.523 -8.133 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.506 -4.622 -9.221 1.00 0.00 O ATOM 463 OE2 GLU A 30 0.187 -5.469 -7.738 1.00 0.00 O ATOM 0 H GLU A 30 1.969 -0.613 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 30 2.165 -1.195 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.910 -2.826 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.997 -3.361 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.613 -3.433 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.361 -2.477 -7.749 1.00 0.00 H new ATOM 470 N LEU A 31 4.739 -0.911 -5.760 1.00 0.00 N ATOM 471 CA LEU A 31 6.151 -0.555 -5.702 1.00 0.00 C ATOM 472 C LEU A 31 6.920 -1.711 -5.075 1.00 0.00 C ATOM 473 O LEU A 31 7.156 -1.724 -3.864 1.00 0.00 O ATOM 474 CB LEU A 31 6.345 0.777 -4.990 1.00 0.00 C ATOM 475 CG LEU A 31 5.701 1.899 -5.821 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.453 2.433 -5.129 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.726 2.977 -6.104 1.00 0.00 C ATOM 0 H LEU A 31 4.367 -1.227 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 31 6.553 -0.402 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.895 0.740 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.408 0.976 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 31 5.372 1.503 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.013 3.226 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.731 1.626 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.721 2.830 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.266 3.771 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.091 3.388 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.560 2.549 -6.660 1.00 0.00 H new ATOM 489 N PRO A 32 7.271 -2.717 -5.883 1.00 0.00 N ATOM 490 CA PRO A 32 8.025 -3.863 -5.412 1.00 0.00 C ATOM 491 C PRO A 32 9.363 -3.386 -4.845 1.00 0.00 C ATOM 492 O PRO A 32 9.927 -2.441 -5.388 1.00 0.00 O ATOM 493 CB PRO A 32 8.228 -4.733 -6.667 1.00 0.00 C ATOM 494 CG PRO A 32 7.263 -4.190 -7.717 1.00 0.00 C ATOM 495 CD PRO A 32 7.170 -2.725 -7.332 1.00 0.00 C ATOM 0 HA PRO A 32 7.523 -4.417 -4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.258 -4.677 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.021 -5.781 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.645 -4.322 -8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.293 -4.685 -7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.972 -2.144 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.229 -2.287 -7.666 1.00 0.00 H new ATOM 503 N ILE A 33 9.878 -3.967 -3.760 1.00 0.00 N ATOM 504 CA ILE A 33 11.258 -3.720 -3.330 1.00 0.00 C ATOM 505 C ILE A 33 12.171 -4.674 -4.109 1.00 0.00 C ATOM 506 O ILE A 33 13.330 -4.351 -4.362 1.00 0.00 O ATOM 507 CB ILE A 33 11.420 -3.888 -1.804 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.597 -2.811 -1.067 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.909 -3.760 -1.420 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.542 -3.046 0.445 1.00 0.00 C ATOM 0 H ILE A 33 9.361 -4.612 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 33 11.534 -2.688 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 33 11.058 -4.874 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.030 -1.830 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.583 -2.797 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.018 -3.879 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.484 -4.532 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.278 -2.778 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.951 -2.260 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.083 -4.014 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.553 -3.032 0.852 1.00 0.00 H new ATOM 522 N ASP A 34 11.659 -5.837 -4.513 1.00 0.00 N ATOM 523 CA ASP A 34 12.289 -6.750 -5.438 1.00 0.00 C ATOM 524 C ASP A 34 12.568 -5.965 -6.717 1.00 0.00 C ATOM 525 O ASP A 34 11.648 -5.490 -7.385 1.00 0.00 O ATOM 526 CB ASP A 34 11.407 -7.997 -5.652 1.00 0.00 C ATOM 527 CG ASP A 34 9.914 -7.732 -5.894 1.00 0.00 C ATOM 528 OD1 ASP A 34 9.241 -7.259 -4.943 1.00 0.00 O ATOM 529 OD2 ASP A 34 9.404 -8.040 -6.997 1.00 0.00 O ATOM 0 H ASP A 34 10.754 -6.173 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 34 13.233 -7.136 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.800 -8.553 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.504 -8.641 -4.778 1.00 0.00 H new ATOM 534 N GLY A 35 13.851 -5.757 -7.015 1.00 0.00 N ATOM 535 CA GLY A 35 14.351 -5.013 -8.166 1.00 0.00 C ATOM 536 C GLY A 35 14.527 -3.516 -7.906 1.00 0.00 C ATOM 537 O GLY A 35 14.960 -2.783 -8.800 1.00 0.00 O ATOM 0 H GLY A 35 14.604 -6.121 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.309 -5.434 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.663 -5.149 -9.001 1.00 0.00 H new ATOM 541 N ASN A 36 14.209 -3.046 -6.702 1.00 0.00 N ATOM 542 CA ASN A 36 14.091 -1.637 -6.344 1.00 0.00 C ATOM 543 C ASN A 36 14.583 -1.410 -4.904 1.00 0.00 C ATOM 544 O ASN A 36 14.006 -0.668 -4.099 1.00 0.00 O ATOM 545 CB ASN A 36 12.638 -1.237 -6.618 1.00 0.00 C ATOM 546 CG ASN A 36 12.202 0.086 -6.012 1.00 0.00 C ATOM 547 OD1 ASN A 36 12.894 1.094 -6.158 1.00 0.00 O ATOM 548 ND2 ASN A 36 11.076 0.111 -5.314 1.00 0.00 N ATOM 0 H ASN A 36 14.018 -3.666 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 36 14.730 -0.987 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.489 -1.190 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.985 -2.023 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.763 0.980 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.522 -0.739 -5.209 1.00 0.00 H new ATOM 555 N ALA A 37 15.651 -2.116 -4.532 1.00 0.00 N ATOM 556 CA ALA A 37 16.436 -1.902 -3.326 1.00 0.00 C ATOM 557 C ALA A 37 17.148 -0.540 -3.440 1.00 0.00 C ATOM 558 O ALA A 37 18.373 -0.469 -3.546 1.00 0.00 O ATOM 559 CB ALA A 37 17.390 -3.083 -3.140 1.00 0.00 C ATOM 0 H ALA A 37 16.006 -2.890 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 37 15.812 -1.862 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.984 -2.933 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.815 -4.004 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.052 -3.155 -4.003 1.00 0.00 H new ATOM 565 N ALA A 38 16.368 0.537 -3.492 1.00 0.00 N ATOM 566 CA ALA A 38 16.750 1.905 -3.805 1.00 0.00 C ATOM 567 C ALA A 38 15.609 2.808 -3.343 1.00 0.00 C ATOM 568 O ALA A 38 15.793 3.591 -2.414 1.00 0.00 O ATOM 569 CB ALA A 38 16.988 2.062 -5.310 1.00 0.00 C ATOM 0 H ALA A 38 15.369 0.465 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 38 17.678 2.173 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.273 3.091 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.787 1.390 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.074 1.817 -5.850 1.00 0.00 H new ATOM 575 N LYS A 39 14.382 2.638 -3.867 1.00 0.00 N ATOM 576 CA LYS A 39 13.250 3.337 -3.242 1.00 0.00 C ATOM 577 C LYS A 39 12.966 2.728 -1.867 1.00 0.00 C ATOM 578 O LYS A 39 12.240 3.319 -1.077 1.00 0.00 O ATOM 579 CB LYS A 39 12.002 3.385 -4.118 1.00 0.00 C ATOM 580 CG LYS A 39 12.236 4.150 -5.431 1.00 0.00 C ATOM 581 CD LYS A 39 11.057 3.995 -6.397 1.00 0.00 C ATOM 582 CE LYS A 39 9.758 4.606 -5.857 1.00 0.00 C ATOM 583 NZ LYS A 39 9.641 6.052 -6.140 1.00 0.00 N ATOM 0 H LYS A 39 14.157 2.057 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 39 13.539 4.380 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.682 2.368 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.191 3.858 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.391 5.207 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.146 3.785 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.307 4.468 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.897 2.936 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.907 4.085 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.708 4.447 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.745 6.410 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.436 6.557 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.660 6.207 -7.168 1.00 0.00 H new ATOM 597 N ARG A 40 13.509 1.543 -1.575 1.00 0.00 N ATOM 598 CA ARG A 40 13.521 0.981 -0.229 1.00 0.00 C ATOM 599 C ARG A 40 14.265 1.945 0.690 1.00 0.00 C ATOM 600 O ARG A 40 13.746 2.277 1.744 1.00 0.00 O ATOM 601 CB ARG A 40 14.185 -0.395 -0.231 1.00 0.00 C ATOM 602 CG ARG A 40 14.067 -1.121 1.125 1.00 0.00 C ATOM 603 CD ARG A 40 15.231 -0.901 2.109 1.00 0.00 C ATOM 604 NE ARG A 40 16.524 -1.284 1.519 1.00 0.00 N ATOM 605 CZ ARG A 40 16.939 -2.513 1.191 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.247 -3.582 1.559 1.00 0.00 N ATOM 607 NH2 ARG A 40 18.033 -2.650 0.452 1.00 0.00 N ATOM 0 H ARG A 40 13.954 0.946 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 40 12.500 0.851 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.731 -1.011 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.239 -0.284 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.143 -0.801 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.974 -2.190 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.263 0.147 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.057 -1.483 3.014 1.00 0.00 H new ATOM 0 HE ARG A 40 17.180 -0.524 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.388 -3.473 2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.573 -4.514 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.546 -1.825 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.361 -3.581 0.194 1.00 0.00 H new ATOM 621 N GLU A 41 15.453 2.398 0.283 1.00 0.00 N ATOM 622 CA GLU A 41 16.223 3.423 0.975 1.00 0.00 C ATOM 623 C GLU A 41 15.392 4.699 1.125 1.00 0.00 C ATOM 624 O GLU A 41 15.298 5.266 2.214 1.00 0.00 O ATOM 625 CB GLU A 41 17.517 3.686 0.180 1.00 0.00 C ATOM 626 CG GLU A 41 18.779 3.497 1.011 1.00 0.00 C ATOM 627 CD GLU A 41 18.847 4.437 2.212 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.078 5.655 2.018 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.702 3.949 3.354 1.00 0.00 O ATOM 0 H GLU A 41 15.914 2.051 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 41 16.484 3.085 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.551 3.015 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.496 4.703 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.827 2.466 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 41 19.652 3.660 0.379 1.00 0.00 H new ATOM 636 N GLU A 42 14.741 5.133 0.042 1.00 0.00 N ATOM 637 CA GLU A 42 13.839 6.283 0.060 1.00 0.00 C ATOM 638 C GLU A 42 12.736 6.097 1.107 1.00 0.00 C ATOM 639 O GLU A 42 12.292 7.069 1.716 1.00 0.00 O ATOM 640 CB GLU A 42 13.225 6.479 -1.335 1.00 0.00 C ATOM 641 CG GLU A 42 12.527 7.828 -1.523 1.00 0.00 C ATOM 642 CD GLU A 42 13.555 8.940 -1.670 1.00 0.00 C ATOM 643 OE1 GLU A 42 14.053 9.117 -2.806 1.00 0.00 O ATOM 644 OE2 GLU A 42 13.871 9.620 -0.666 1.00 0.00 O ATOM 0 H GLU A 42 14.827 4.693 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 42 14.411 7.171 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.011 6.380 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.506 5.681 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.889 7.795 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.880 8.032 -0.670 1.00 0.00 H new ATOM 651 N MET A 43 12.290 4.859 1.344 1.00 0.00 N ATOM 652 CA MET A 43 11.151 4.535 2.179 1.00 0.00 C ATOM 653 C MET A 43 11.320 4.936 3.639 1.00 0.00 C ATOM 654 O MET A 43 10.308 5.021 4.340 1.00 0.00 O ATOM 655 CB MET A 43 10.726 3.072 2.001 1.00 0.00 C ATOM 656 CG MET A 43 9.285 2.848 2.469 1.00 0.00 C ATOM 657 SD MET A 43 8.276 1.823 1.386 1.00 0.00 S ATOM 658 CE MET A 43 9.286 0.328 1.304 1.00 0.00 C ATOM 0 H MET A 43 12.734 4.034 0.941 1.00 0.00 H new ATOM 0 HA MET A 43 10.327 5.155 1.826 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.818 2.790 0.952 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.398 2.425 2.565 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.308 2.390 3.458 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.801 3.818 2.579 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.804 -0.401 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.270 0.575 0.906 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.394 -0.093 2.303 1.00 0.00 H new ATOM 668 N ILE A 44 12.527 5.285 4.084 1.00 0.00 N ATOM 669 CA ILE A 44 12.703 5.896 5.395 1.00 0.00 C ATOM 670 C ILE A 44 11.976 7.241 5.364 1.00 0.00 C ATOM 671 O ILE A 44 11.084 7.480 6.180 1.00 0.00 O ATOM 672 CB ILE A 44 14.197 6.063 5.775 1.00 0.00 C ATOM 673 CG1 ILE A 44 15.036 4.772 5.630 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.284 6.566 7.230 1.00 0.00 C ATOM 675 CD1 ILE A 44 16.547 5.032 5.662 1.00 0.00 C ATOM 0 H ILE A 44 13.391 5.155 3.557 1.00 0.00 H new ATOM 0 HA ILE A 44 12.284 5.248 6.165 1.00 0.00 H new ATOM 0 HB ILE A 44 14.621 6.780 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.774 4.083 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.777 4.281 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.330 6.688 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.771 7.524 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.812 5.842 7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.081 4.088 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.819 5.697 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.816 5.496 6.611 1.00 0.00 H new ATOM 687 N LYS A 45 12.294 8.118 4.412 1.00 0.00 N ATOM 688 CA LYS A 45 11.603 9.388 4.260 1.00 0.00 C ATOM 689 C LYS A 45 10.197 9.203 3.713 1.00 0.00 C ATOM 690 O LYS A 45 9.287 9.898 4.164 1.00 0.00 O ATOM 691 CB LYS A 45 12.442 10.347 3.406 1.00 0.00 C ATOM 692 CG LYS A 45 13.586 10.869 4.281 1.00 0.00 C ATOM 693 CD LYS A 45 14.554 11.805 3.560 1.00 0.00 C ATOM 694 CE LYS A 45 15.729 12.136 4.489 1.00 0.00 C ATOM 695 NZ LYS A 45 15.322 13.007 5.611 1.00 0.00 N ATOM 0 H LYS A 45 13.036 7.964 3.729 1.00 0.00 H new ATOM 0 HA LYS A 45 11.485 9.837 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.835 9.834 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.829 11.173 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.162 11.394 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.145 10.019 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.919 11.335 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.041 12.720 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.151 11.211 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.516 12.627 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.164 13.302 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.836 13.848 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.679 12.485 6.240 1.00 0.00 H new ATOM 709 N ARG A 46 9.982 8.248 2.809 1.00 0.00 N ATOM 710 CA ARG A 46 8.675 7.998 2.209 1.00 0.00 C ATOM 711 C ARG A 46 7.657 7.512 3.227 1.00 0.00 C ATOM 712 O ARG A 46 6.495 7.851 3.062 1.00 0.00 O ATOM 713 CB ARG A 46 8.768 7.055 0.987 1.00 0.00 C ATOM 714 CG ARG A 46 8.210 7.617 -0.329 1.00 0.00 C ATOM 715 CD ARG A 46 6.682 7.748 -0.301 1.00 0.00 C ATOM 716 NE ARG A 46 6.143 8.146 -1.610 1.00 0.00 N ATOM 717 CZ ARG A 46 6.043 9.384 -2.103 1.00 0.00 C ATOM 718 NH1 ARG A 46 6.484 10.430 -1.411 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.492 9.539 -3.297 1.00 0.00 N ATOM 0 H ARG A 46 10.714 7.624 2.471 1.00 0.00 H new ATOM 0 HA ARG A 46 8.313 8.958 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.814 6.790 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.237 6.132 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.653 8.594 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.502 6.966 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.241 6.797 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.394 8.484 0.449 1.00 0.00 H new ATOM 0 HE ARG A 46 5.808 7.392 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.905 10.293 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.402 11.370 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.158 8.726 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.402 10.472 -3.700 1.00 0.00 H new ATOM 733 N SER A 47 8.041 6.718 4.233 1.00 0.00 N ATOM 734 CA SER A 47 7.049 6.074 5.103 1.00 0.00 C ATOM 735 C SER A 47 7.296 6.274 6.593 1.00 0.00 C ATOM 736 O SER A 47 6.411 5.969 7.389 1.00 0.00 O ATOM 737 CB SER A 47 6.971 4.577 4.784 1.00 0.00 C ATOM 738 OG SER A 47 8.123 3.874 5.226 1.00 0.00 O ATOM 0 H SER A 47 9.012 6.508 4.463 1.00 0.00 H new ATOM 0 HA SER A 47 6.100 6.565 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.085 4.152 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.855 4.442 3.709 1.00 0.00 H new ATOM 0 HG SER A 47 8.928 4.369 4.966 1.00 0.00 H new ATOM 744 N GLY A 48 8.499 6.696 6.987 1.00 0.00 N ATOM 745 CA GLY A 48 8.920 6.702 8.380 1.00 0.00 C ATOM 746 C GLY A 48 9.185 5.300 8.944 1.00 0.00 C ATOM 747 O GLY A 48 9.672 5.212 10.073 1.00 0.00 O ATOM 0 H GLY A 48 9.208 7.044 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.826 7.301 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.152 7.188 8.982 1.00 0.00 H new ATOM 751 N ARG A 49 8.913 4.218 8.200 1.00 0.00 N ATOM 752 CA ARG A 49 8.907 2.841 8.697 1.00 0.00 C ATOM 753 C ARG A 49 9.995 1.997 8.035 1.00 0.00 C ATOM 754 O ARG A 49 10.769 1.356 8.738 1.00 0.00 O ATOM 755 CB ARG A 49 7.528 2.207 8.456 1.00 0.00 C ATOM 756 CG ARG A 49 6.366 2.842 9.232 1.00 0.00 C ATOM 757 CD ARG A 49 5.095 1.981 9.147 1.00 0.00 C ATOM 758 NE ARG A 49 4.471 1.806 10.469 1.00 0.00 N ATOM 759 CZ ARG A 49 3.793 0.726 10.875 1.00 0.00 C ATOM 760 NH1 ARG A 49 3.328 -0.152 9.995 1.00 0.00 N ATOM 761 NH2 ARG A 49 3.589 0.512 12.168 1.00 0.00 N ATOM 0 H ARG A 49 8.685 4.282 7.208 1.00 0.00 H new ATOM 0 HA ARG A 49 9.115 2.869 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.303 2.261 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.582 1.150 8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.651 2.970 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.161 3.836 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.383 2.448 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.343 1.005 8.729 1.00 0.00 H new ATOM 0 HE ARG A 49 4.563 2.575 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.486 -0.007 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.813 -0.972 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.949 1.172 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.072 -0.312 12.473 1.00 0.00 H new ATOM 775 N THR A 50 10.004 1.958 6.700 1.00 0.00 N ATOM 776 CA THR A 50 10.969 1.341 5.784 1.00 0.00 C ATOM 777 C THR A 50 10.651 -0.143 5.533 1.00 0.00 C ATOM 778 O THR A 50 11.157 -0.765 4.599 1.00 0.00 O ATOM 779 CB THR A 50 12.419 1.602 6.240 1.00 0.00 C ATOM 780 OG1 THR A 50 12.535 2.887 6.820 1.00 0.00 O ATOM 781 CG2 THR A 50 13.354 1.588 5.035 1.00 0.00 C ATOM 0 H THR A 50 9.253 2.407 6.177 1.00 0.00 H new ATOM 0 HA THR A 50 10.872 1.823 4.811 1.00 0.00 H new ATOM 0 HB THR A 50 12.680 0.825 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.241 2.877 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.376 1.773 5.365 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.301 0.616 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.054 2.365 4.332 1.00 0.00 H new ATOM 789 N THR A 51 9.722 -0.680 6.307 1.00 0.00 N ATOM 790 CA THR A 51 9.049 -1.967 6.221 1.00 0.00 C ATOM 791 C THR A 51 8.038 -1.936 5.079 1.00 0.00 C ATOM 792 O THR A 51 7.885 -0.912 4.408 1.00 0.00 O ATOM 793 CB THR A 51 8.397 -2.190 7.601 1.00 0.00 C ATOM 794 OG1 THR A 51 7.448 -1.172 7.866 1.00 0.00 O ATOM 795 CG2 THR A 51 9.461 -2.100 8.701 1.00 0.00 C ATOM 0 H THR A 51 9.379 -0.157 7.113 1.00 0.00 H new ATOM 0 HA THR A 51 9.725 -2.792 5.998 1.00 0.00 H new ATOM 0 HB THR A 51 7.922 -3.171 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.040 -1.326 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.994 -2.258 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.221 -2.863 8.535 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.926 -1.114 8.678 1.00 0.00 H new ATOM 803 N VAL A 52 7.378 -3.056 4.813 1.00 0.00 N ATOM 804 CA VAL A 52 6.220 -3.111 3.917 1.00 0.00 C ATOM 805 C VAL A 52 5.109 -3.961 4.559 1.00 0.00 C ATOM 806 O VAL A 52 5.422 -4.769 5.435 1.00 0.00 O ATOM 807 CB VAL A 52 6.633 -3.589 2.507 1.00 0.00 C ATOM 808 CG1 VAL A 52 7.144 -2.411 1.682 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.696 -4.688 2.496 1.00 0.00 C ATOM 0 H VAL A 52 7.629 -3.960 5.213 1.00 0.00 H new ATOM 0 HA VAL A 52 5.812 -2.110 3.776 1.00 0.00 H new ATOM 0 HB VAL A 52 5.729 -4.018 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.432 -2.759 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.357 -1.663 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.009 -1.968 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.925 -4.962 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.600 -4.325 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.322 -5.562 3.029 1.00 0.00 H new ATOM 819 N PRO A 53 3.829 -3.821 4.158 1.00 0.00 N ATOM 820 CA PRO A 53 3.343 -2.921 3.115 1.00 0.00 C ATOM 821 C PRO A 53 3.367 -1.467 3.576 1.00 0.00 C ATOM 822 O PRO A 53 3.320 -1.188 4.774 1.00 0.00 O ATOM 823 CB PRO A 53 1.898 -3.346 2.841 1.00 0.00 C ATOM 824 CG PRO A 53 1.439 -3.963 4.160 1.00 0.00 C ATOM 825 CD PRO A 53 2.716 -4.532 4.777 1.00 0.00 C ATOM 0 HA PRO A 53 3.974 -2.984 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.278 -2.495 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.841 -4.064 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.982 -3.217 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.695 -4.743 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.720 -4.392 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.791 -5.604 4.594 1.00 0.00 H new ATOM 833 N GLN A 54 3.412 -0.542 2.620 1.00 0.00 N ATOM 834 CA GLN A 54 3.197 0.876 2.860 1.00 0.00 C ATOM 835 C GLN A 54 2.175 1.273 1.822 1.00 0.00 C ATOM 836 O GLN A 54 2.533 1.421 0.652 1.00 0.00 O ATOM 837 CB GLN A 54 4.465 1.742 2.737 1.00 0.00 C ATOM 838 CG GLN A 54 5.629 1.342 3.637 1.00 0.00 C ATOM 839 CD GLN A 54 5.296 1.304 5.121 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.392 1.977 5.620 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.043 0.513 5.855 1.00 0.00 N ATOM 0 H GLN A 54 3.602 -0.764 1.643 1.00 0.00 H new ATOM 0 HA GLN A 54 2.873 1.041 3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.804 1.713 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.199 2.776 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.986 0.358 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.450 2.041 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.786 -0.035 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.881 0.446 6.860 1.00 0.00 H new ATOM 850 N ILE A 55 0.910 1.355 2.229 1.00 0.00 N ATOM 851 CA ILE A 55 -0.111 1.923 1.370 1.00 0.00 C ATOM 852 C ILE A 55 -0.117 3.424 1.629 1.00 0.00 C ATOM 853 O ILE A 55 -0.004 3.887 2.773 1.00 0.00 O ATOM 854 CB ILE A 55 -1.515 1.320 1.580 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.536 -0.194 1.892 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.358 1.550 0.312 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.390 -0.547 3.365 1.00 0.00 C ATOM 0 H ILE A 55 0.576 1.038 3.139 1.00 0.00 H new ATOM 0 HA ILE A 55 0.131 1.689 0.333 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.919 1.828 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.473 -0.613 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.731 -0.676 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.352 1.126 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.444 2.620 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.876 1.067 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.416 -1.630 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.440 -0.164 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.209 -0.100 3.929 1.00 0.00 H new ATOM 869 N PHE A 56 -0.314 4.171 0.560 1.00 0.00 N ATOM 870 CA PHE A 56 -0.570 5.573 0.495 1.00 0.00 C ATOM 871 C PHE A 56 -1.804 5.723 -0.385 1.00 0.00 C ATOM 872 O PHE A 56 -1.923 5.005 -1.383 1.00 0.00 O ATOM 873 CB PHE A 56 0.609 6.242 -0.193 1.00 0.00 C ATOM 874 CG PHE A 56 1.953 6.101 0.491 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.719 4.930 0.323 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.456 7.153 1.275 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.960 4.797 0.964 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.696 7.018 1.916 1.00 0.00 C ATOM 879 CZ PHE A 56 4.438 5.833 1.782 1.00 0.00 C ATOM 0 H PHE A 56 -0.294 3.756 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.715 6.017 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.693 5.835 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.387 7.304 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.349 4.131 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.888 8.065 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.546 3.900 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.082 7.829 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.375 5.719 2.307 1.00 0.00 H new ATOM 889 N ILE A 57 -2.703 6.646 -0.058 1.00 0.00 N ATOM 890 CA ILE A 57 -3.798 7.035 -0.919 1.00 0.00 C ATOM 891 C ILE A 57 -3.790 8.555 -0.879 1.00 0.00 C ATOM 892 O ILE A 57 -3.672 9.140 0.198 1.00 0.00 O ATOM 893 CB ILE A 57 -5.119 6.472 -0.377 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.137 4.934 -0.218 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.285 6.916 -1.281 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.220 4.483 0.763 1.00 0.00 C ATOM 0 H ILE A 57 -2.685 7.149 0.829 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.695 6.656 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.230 6.880 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.308 4.469 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.163 4.592 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.220 6.514 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.338 8.005 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.123 6.544 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.203 3.397 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.034 4.928 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.196 4.803 0.399 1.00 0.00 H new ATOM 908 N ASP A 58 -3.951 9.210 -2.025 1.00 0.00 N ATOM 909 CA ASP A 58 -4.007 10.657 -2.133 1.00 0.00 C ATOM 910 C ASP A 58 -2.749 11.306 -1.527 1.00 0.00 C ATOM 911 O ASP A 58 -2.817 12.345 -0.872 1.00 0.00 O ATOM 912 CB ASP A 58 -5.349 11.133 -1.542 1.00 0.00 C ATOM 913 CG ASP A 58 -6.358 11.574 -2.590 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.990 12.309 -3.533 1.00 0.00 O ATOM 915 OD2 ASP A 58 -7.557 11.262 -2.439 1.00 0.00 O ATOM 0 H ASP A 58 -4.048 8.735 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.989 10.982 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.782 10.326 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.161 11.962 -0.860 1.00 0.00 H new ATOM 920 N ALA A 59 -1.592 10.647 -1.692 1.00 0.00 N ATOM 921 CA ALA A 59 -0.286 10.973 -1.114 1.00 0.00 C ATOM 922 C ALA A 59 -0.230 10.891 0.422 1.00 0.00 C ATOM 923 O ALA A 59 0.828 11.123 1.014 1.00 0.00 O ATOM 924 CB ALA A 59 0.202 12.326 -1.649 1.00 0.00 C ATOM 0 H ALA A 59 -1.545 9.812 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 59 0.404 10.195 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.174 12.560 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.293 12.277 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.513 13.103 -1.379 1.00 0.00 H new ATOM 930 N GLN A 60 -1.332 10.547 1.089 1.00 0.00 N ATOM 931 CA GLN A 60 -1.392 10.343 2.530 1.00 0.00 C ATOM 932 C GLN A 60 -0.865 8.947 2.818 1.00 0.00 C ATOM 933 O GLN A 60 -1.421 7.967 2.319 1.00 0.00 O ATOM 934 CB GLN A 60 -2.834 10.418 3.051 1.00 0.00 C ATOM 935 CG GLN A 60 -3.586 11.702 2.695 1.00 0.00 C ATOM 936 CD GLN A 60 -5.077 11.489 2.901 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.626 11.802 3.955 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.749 10.901 1.924 1.00 0.00 N ATOM 0 H GLN A 60 -2.229 10.400 0.627 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.805 11.120 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.391 9.568 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.818 10.313 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.236 12.526 3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.387 11.978 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.274 10.650 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.742 10.699 2.038 1.00 0.00 H new ATOM 947 N HIS A 61 0.185 8.827 3.623 1.00 0.00 N ATOM 948 CA HIS A 61 0.618 7.541 4.144 1.00 0.00 C ATOM 949 C HIS A 61 -0.495 6.992 5.033 1.00 0.00 C ATOM 950 O HIS A 61 -0.870 7.636 6.013 1.00 0.00 O ATOM 951 CB HIS A 61 1.919 7.729 4.929 1.00 0.00 C ATOM 952 CG HIS A 61 2.479 6.457 5.514 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.205 6.397 6.684 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.397 5.192 4.992 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.562 5.120 6.881 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.085 4.368 5.867 1.00 0.00 N ATOM 0 H HIS A 61 0.755 9.615 3.930 1.00 0.00 H new ATOM 0 HA HIS A 61 0.812 6.833 3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.666 8.172 4.271 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.743 8.440 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.897 4.897 4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.139 4.752 7.717 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.210 3.361 5.763 1.00 0.00 H new ATOM 965 N ILE A 62 -1.042 5.830 4.686 1.00 0.00 N ATOM 966 CA ILE A 62 -2.082 5.165 5.450 1.00 0.00 C ATOM 967 C ILE A 62 -1.413 4.386 6.578 1.00 0.00 C ATOM 968 O ILE A 62 -1.567 4.737 7.749 1.00 0.00 O ATOM 969 CB ILE A 62 -2.914 4.283 4.492 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.391 5.082 3.261 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.095 3.608 5.204 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.237 6.323 3.583 1.00 0.00 C ATOM 0 H ILE A 62 -0.766 5.318 3.848 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.777 5.868 5.909 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.254 3.489 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.518 5.394 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.973 4.420 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.650 2.999 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.721 2.974 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.754 4.371 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.525 6.818 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.133 6.022 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.655 7.011 4.196 1.00 0.00 H new ATOM 984 N GLY A 63 -0.646 3.352 6.236 1.00 0.00 N ATOM 985 CA GLY A 63 -0.123 2.386 7.183 1.00 0.00 C ATOM 986 C GLY A 63 0.038 1.060 6.460 1.00 0.00 C ATOM 987 O GLY A 63 0.681 1.029 5.405 1.00 0.00 O ATOM 0 H GLY A 63 -0.369 3.164 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.835 2.722 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.800 2.278 8.031 1.00 0.00 H new ATOM 991 N GLY A 64 -0.571 0.006 7.005 1.00 0.00 N ATOM 992 CA GLY A 64 -0.460 -1.380 6.582 1.00 0.00 C ATOM 993 C GLY A 64 -1.833 -1.951 6.231 1.00 0.00 C ATOM 994 O GLY A 64 -2.813 -1.208 6.129 1.00 0.00 O ATOM 0 H GLY A 64 -1.194 0.111 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.200 -1.449 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.007 -1.972 7.377 1.00 0.00 H new ATOM 998 N TYR A 65 -1.902 -3.262 5.980 1.00 0.00 N ATOM 999 CA TYR A 65 -3.117 -3.904 5.498 1.00 0.00 C ATOM 1000 C TYR A 65 -4.298 -3.655 6.419 1.00 0.00 C ATOM 1001 O TYR A 65 -5.352 -3.319 5.904 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.952 -5.408 5.233 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.276 -6.112 4.974 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.053 -5.742 3.863 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.763 -7.090 5.862 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.240 -6.425 3.555 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.975 -7.749 5.588 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.698 -7.452 4.407 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.768 -8.203 4.030 1.00 0.00 O ATOM 0 H TYR A 65 -1.117 -3.901 6.106 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.323 -3.434 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.296 -5.551 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.461 -5.871 6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.733 -4.921 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.206 -7.334 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.801 -6.165 2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.356 -8.485 6.281 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.515 -8.040 4.643 1.00 0.00 H new ATOM 1019 N ASP A 66 -4.153 -3.796 7.737 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.297 -3.662 8.646 1.00 0.00 C ATOM 1021 C ASP A 66 -5.893 -2.260 8.550 1.00 0.00 C ATOM 1022 O ASP A 66 -7.106 -2.090 8.596 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.865 -3.928 10.088 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.918 -3.486 11.109 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -7.045 -4.037 11.095 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -5.585 -2.666 12.000 1.00 0.00 O ATOM 0 H ASP A 66 -3.266 -4.001 8.197 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.050 -4.394 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.667 -4.992 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.930 -3.404 10.286 1.00 0.00 H new ATOM 1031 N ASP A 67 -5.034 -1.258 8.380 1.00 0.00 N ATOM 1032 CA ASP A 67 -5.418 0.148 8.309 1.00 0.00 C ATOM 1033 C ASP A 67 -6.277 0.386 7.068 1.00 0.00 C ATOM 1034 O ASP A 67 -7.363 0.968 7.127 1.00 0.00 O ATOM 1035 CB ASP A 67 -4.165 1.047 8.230 1.00 0.00 C ATOM 1036 CG ASP A 67 -3.135 0.831 9.334 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.388 -0.171 9.257 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.944 1.702 10.207 1.00 0.00 O ATOM 0 H ASP A 67 -4.029 -1.405 8.286 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.983 0.397 9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.681 0.883 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.484 2.089 8.253 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.752 -0.078 5.936 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.332 -0.017 4.602 1.00 0.00 C ATOM 1045 C LEU A 68 -7.623 -0.818 4.521 1.00 0.00 C ATOM 1046 O LEU A 68 -8.632 -0.331 4.017 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.252 -0.553 3.641 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.579 -0.687 2.143 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.324 -1.975 1.792 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.281 0.547 1.583 1.00 0.00 C ATOM 0 H LEU A 68 -4.843 -0.540 5.930 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.611 1.002 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.382 0.097 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.952 -1.537 4.001 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.611 -0.757 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.521 -2.001 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.715 -2.835 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.268 -2.009 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.488 0.398 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.218 0.706 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.639 1.419 1.708 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.595 -2.051 5.003 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.737 -2.932 5.039 1.00 0.00 C ATOM 1064 C TYR A 69 -9.822 -2.303 5.903 1.00 0.00 C ATOM 1065 O TYR A 69 -10.975 -2.296 5.487 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.313 -4.299 5.578 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.350 -5.408 5.547 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.353 -5.443 4.556 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.224 -6.490 6.439 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.188 -6.563 4.428 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.068 -7.606 6.320 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.047 -7.653 5.307 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.829 -8.757 5.166 1.00 0.00 O ATOM 0 H TYR A 69 -6.750 -2.472 5.389 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.137 -3.078 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.445 -4.632 5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.987 -4.169 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.479 -4.601 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.476 -6.462 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.940 -6.589 3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.967 -8.432 7.008 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.597 -9.412 5.857 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.473 -1.708 7.051 1.00 0.00 N ATOM 1084 CA ALA A 70 -10.450 -1.009 7.862 1.00 0.00 C ATOM 1085 C ALA A 70 -11.007 0.207 7.118 1.00 0.00 C ATOM 1086 O ALA A 70 -12.205 0.476 7.212 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.830 -0.608 9.198 1.00 0.00 C ATOM 0 H ALA A 70 -8.525 -1.702 7.428 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.286 -1.680 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.572 -0.083 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.498 -1.501 9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.977 0.047 9.021 1.00 0.00 H new ATOM 1093 N LEU A 71 -10.174 0.977 6.409 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.623 2.092 5.586 1.00 0.00 C ATOM 1095 C LEU A 71 -11.652 1.618 4.550 1.00 0.00 C ATOM 1096 O LEU A 71 -12.668 2.282 4.329 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.390 2.780 4.989 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.687 3.935 4.020 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.490 5.063 4.678 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.354 4.487 3.512 1.00 0.00 C ATOM 0 H LEU A 71 -9.164 0.838 6.394 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.150 2.838 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.776 3.161 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.795 2.032 4.465 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.295 3.547 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.672 5.853 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.443 4.671 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.927 5.468 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.540 5.309 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.765 4.848 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.806 3.698 2.997 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.427 0.455 3.935 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.389 -0.163 3.033 1.00 0.00 C ATOM 1114 C ASP A 72 -13.632 -0.657 3.764 1.00 0.00 C ATOM 1115 O ASP A 72 -14.742 -0.487 3.268 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.776 -1.301 2.215 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.808 -1.784 1.196 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.065 -1.034 0.226 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.416 -2.862 1.380 1.00 0.00 O ATOM 0 H ASP A 72 -10.568 -0.083 4.052 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.690 0.625 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.875 -0.958 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.480 -2.120 2.870 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.470 -1.199 4.970 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.556 -1.703 5.805 1.00 0.00 C ATOM 1126 C ALA A 73 -15.475 -0.568 6.271 1.00 0.00 C ATOM 1127 O ALA A 73 -16.667 -0.778 6.507 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.972 -2.446 7.011 1.00 0.00 C ATOM 0 H ALA A 73 -12.553 -1.302 5.404 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.158 -2.391 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.783 -2.822 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.364 -3.281 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.353 -1.764 7.594 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.952 0.658 6.338 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.723 1.870 6.599 1.00 0.00 C ATOM 1136 C ARG A 74 -16.540 2.250 5.365 1.00 0.00 C ATOM 1137 O ARG A 74 -17.502 3.007 5.488 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.732 3.000 6.980 1.00 0.00 C ATOM 1139 CG ARG A 74 -15.225 4.423 6.684 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.188 5.508 6.971 1.00 0.00 C ATOM 1141 NE ARG A 74 -14.752 6.816 6.609 1.00 0.00 N ATOM 1142 CZ ARG A 74 -15.711 7.461 7.282 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -16.105 7.043 8.480 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -16.286 8.524 6.747 1.00 0.00 N ATOM 0 H ARG A 74 -13.956 0.837 6.209 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.423 1.707 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.509 2.923 8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.796 2.837 6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.521 4.484 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.117 4.620 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.912 5.496 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.278 5.319 6.401 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.381 7.270 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.675 6.219 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -16.838 7.546 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.998 8.849 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.018 9.019 7.257 1.00 0.00 H new ATOM 1158 N GLY A 75 -16.158 1.767 4.186 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.698 2.247 2.930 1.00 0.00 C ATOM 1160 C GLY A 75 -16.041 3.581 2.582 1.00 0.00 C ATOM 1161 O GLY A 75 -16.673 4.426 1.949 1.00 0.00 O ATOM 0 H GLY A 75 -15.462 1.029 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.515 1.520 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.778 2.369 3.007 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.810 3.816 3.058 1.00 0.00 N ATOM 1166 CA GLY A 76 -14.074 5.066 2.905 1.00 0.00 C ATOM 1167 C GLY A 76 -12.871 4.933 1.973 1.00 0.00 C ATOM 1168 O GLY A 76 -12.274 5.949 1.620 1.00 0.00 O ATOM 0 H GLY A 76 -14.286 3.112 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.745 5.833 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.734 5.405 3.884 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.507 3.716 1.560 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.510 3.504 0.514 1.00 0.00 C ATOM 1174 C LEU A 77 -12.124 3.831 -0.846 1.00 0.00 C ATOM 1175 O LEU A 77 -11.492 4.479 -1.677 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.022 2.047 0.557 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.017 1.701 -0.552 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.758 2.570 -0.474 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.601 0.234 -0.459 1.00 0.00 C ATOM 0 H LEU A 77 -12.896 2.854 1.942 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.655 4.160 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.561 1.856 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.882 1.382 0.476 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.518 1.892 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.074 2.292 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.033 3.619 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.270 2.417 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.889 0.007 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.137 0.048 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.480 -0.401 -0.568 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.364 3.389 -1.049 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.107 3.483 -2.305 1.00 0.00 C ATOM 1193 C ASP A 78 -14.155 4.947 -2.765 1.00 0.00 C ATOM 1194 O ASP A 78 -13.628 5.225 -3.839 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.541 2.947 -2.117 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.710 1.554 -2.701 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.155 0.621 -2.075 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.431 1.348 -3.699 1.00 0.00 O ATOM 0 H ASP A 78 -13.902 2.936 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.604 2.881 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.784 2.926 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.247 3.627 -2.592 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.657 5.910 -1.960 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.787 7.300 -2.386 1.00 0.00 C ATOM 1205 C PRO A 79 -13.452 8.034 -2.527 1.00 0.00 C ATOM 1206 O PRO A 79 -13.450 9.179 -2.990 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.695 7.966 -1.350 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.484 7.141 -0.090 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.270 5.744 -0.649 1.00 0.00 C ATOM 0 HA PRO A 79 -15.209 7.343 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.423 9.010 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.738 7.952 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.623 7.486 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.347 7.185 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.627 5.158 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.216 5.209 -0.729 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.335 7.433 -2.104 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.011 7.951 -2.416 1.00 0.00 C ATOM 1219 C LEU A 80 -10.652 7.458 -3.815 1.00 0.00 C ATOM 1220 O LEU A 80 -10.381 8.272 -4.698 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.955 7.497 -1.393 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.021 8.251 -0.054 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.251 7.487 1.031 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.421 9.656 -0.170 1.00 0.00 C ATOM 0 H LEU A 80 -12.329 6.582 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.024 9.040 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.080 6.431 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.963 7.630 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.074 8.331 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.308 8.035 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.690 6.498 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.207 7.385 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.485 10.160 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.376 9.582 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.975 10.228 -0.915 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.630 6.140 -4.031 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.156 5.540 -5.275 1.00 0.00 C ATOM 1238 C LEU A 81 -11.024 5.937 -6.458 1.00 0.00 C ATOM 1239 O LEU A 81 -10.484 6.408 -7.464 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.092 4.004 -5.148 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.679 3.512 -4.791 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.723 2.117 -4.171 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.827 3.452 -6.067 1.00 0.00 C ATOM 0 H LEU A 81 -10.943 5.457 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.151 5.921 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.795 3.674 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.407 3.549 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.248 4.206 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.710 1.794 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.323 2.142 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.167 1.418 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.824 3.104 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.285 2.764 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.766 4.446 -6.511 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.328 5.704 -6.350 1.00 0.00 N ATOM 1256 CA LYS A 82 -13.302 5.989 -7.388 1.00 0.00 C ATOM 1257 C LYS A 82 -13.586 7.469 -7.329 1.00 0.00 C ATOM 1258 O LYS A 82 -13.632 8.113 -8.395 1.00 0.00 O ATOM 1259 CB LYS A 82 -14.577 5.166 -7.141 1.00 0.00 C ATOM 1260 CG LYS A 82 -14.635 3.977 -8.101 1.00 0.00 C ATOM 1261 CD LYS A 82 -15.613 2.907 -7.608 1.00 0.00 C ATOM 1262 CE LYS A 82 -15.744 1.833 -8.688 1.00 0.00 C ATOM 1263 NZ LYS A 82 -16.331 0.587 -8.165 1.00 0.00 N ATOM 1264 OXT LYS A 82 -13.782 8.006 -6.219 1.00 0.00 O ATOM 0 H LYS A 82 -12.745 5.300 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.928 5.719 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.595 4.811 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.456 5.795 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.938 4.321 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.641 3.543 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.255 2.466 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.585 3.352 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.364 2.211 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.761 1.621 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.401 -0.112 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.727 0.210 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.280 0.782 -7.787 1.00 0.00 H new TER 1278 LYS A 82