USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 873 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 Single : A 1 MET CE :methyl -166:sc= -0.0751 (180deg=-0.36) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.17) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.057) USER MOD Single : A 35 ASN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.354 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.228 K(o=-0.23,f=-4.6!) USER MOD Single : A 44 GLN : amide:sc= 0.778 K(o=0.78,f=-0.00071) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0.306 (180deg=0.127) USER MOD Single : A 52 SER OG : rot -26:sc= 0.0847 USER MOD Single : A 53 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.28) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 0.899 (180deg=0.257) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.699 (180deg=0.0674) USER MOD Single : A 62 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-3.4) USER MOD Single : A 63 CYS SG : rot -140:sc= -3.33! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -144:sc= -2.05! (180deg=-4.45!) USER MOD Single : A 77 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.9!) USER MOD Single : A 81 TYR OH : rot -96:sc= 0.428 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 14:sc= -0.524 USER MOD Single : A 89 ASN : amide:sc= -0.0662 K(o=-0.066,f=-2!) USER MOD Single : A 91 TYR OH : rot 22:sc= 0.267 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -172:sc= -2.11! (180deg=-2.44!) USER MOD Single : A 102 TYR OH : rot 62:sc= 0.00076 USER MOD Single : A 105 THR OG1 : rot -29:sc= 0.565 USER MOD Single : A 106 CYS SG : rot 32:sc= 0.365 USER MOD Single : A 108 LYS NZ :NH3+ -114:sc= 0.399 (180deg=-0.387) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.082 16.199 -5.935 1.00 0.00 N ATOM 2 CA MET A 1 -6.112 15.426 -6.677 1.00 0.00 C ATOM 3 C MET A 1 -5.558 14.013 -6.984 1.00 0.00 C ATOM 4 O MET A 1 -5.035 13.751 -8.073 1.00 0.00 O ATOM 5 CB MET A 1 -6.506 16.196 -7.974 1.00 0.00 C ATOM 6 CG MET A 1 -7.686 15.616 -8.763 1.00 0.00 C ATOM 7 SD MET A 1 -7.974 16.471 -10.332 1.00 0.00 S ATOM 8 CE MET A 1 -8.217 18.177 -9.809 1.00 0.00 C ATOM 0 H1 MET A 1 -5.446 17.150 -5.725 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.855 15.710 -5.045 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.222 16.278 -6.515 1.00 0.00 H new ATOM 0 HA MET A 1 -7.014 15.311 -6.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.744 17.225 -7.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.637 16.232 -8.631 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.501 14.560 -8.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.588 15.674 -8.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.643 18.752 -10.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.897 18.203 -8.957 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.259 18.609 -9.522 1.00 0.00 H new ATOM 20 N LEU A 2 -5.619 13.115 -5.980 1.00 0.00 N ATOM 21 CA LEU A 2 -4.988 11.771 -6.054 1.00 0.00 C ATOM 22 C LEU A 2 -5.889 10.699 -6.694 1.00 0.00 C ATOM 23 O LEU A 2 -5.528 9.522 -6.706 1.00 0.00 O ATOM 24 CB LEU A 2 -4.509 11.294 -4.659 1.00 0.00 C ATOM 25 CG LEU A 2 -5.571 10.719 -3.665 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.879 9.997 -2.497 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.533 11.806 -3.143 1.00 0.00 C ATOM 0 H LEU A 2 -6.102 13.294 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.127 11.894 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.749 10.528 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.018 12.136 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.175 9.999 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.633 9.603 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.275 9.176 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.238 10.699 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.251 11.357 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.964 12.575 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.065 12.255 -3.982 1.00 0.00 H new ATOM 39 N GLU A 3 -7.038 11.123 -7.220 1.00 0.00 N ATOM 40 CA GLU A 3 -8.080 10.217 -7.772 1.00 0.00 C ATOM 41 C GLU A 3 -7.477 9.279 -8.848 1.00 0.00 C ATOM 42 O GLU A 3 -7.724 8.072 -8.858 1.00 0.00 O ATOM 43 CB GLU A 3 -9.282 11.020 -8.394 1.00 0.00 C ATOM 44 CG GLU A 3 -9.467 12.460 -7.879 1.00 0.00 C ATOM 45 CD GLU A 3 -9.727 12.578 -6.364 1.00 0.00 C ATOM 46 OE1 GLU A 3 -10.877 12.368 -5.932 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.784 12.932 -5.606 1.00 0.00 O ATOM 0 H GLU A 3 -7.287 12.110 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.457 9.622 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.149 11.056 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.201 10.466 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.575 13.036 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.300 12.917 -8.413 1.00 0.00 H new ATOM 54 N ASP A 4 -6.630 9.883 -9.703 1.00 0.00 N ATOM 55 CA ASP A 4 -5.959 9.221 -10.852 1.00 0.00 C ATOM 56 C ASP A 4 -4.906 8.182 -10.407 1.00 0.00 C ATOM 57 O ASP A 4 -4.466 7.354 -11.207 1.00 0.00 O ATOM 58 CB ASP A 4 -5.287 10.303 -11.742 1.00 0.00 C ATOM 59 CG ASP A 4 -6.294 11.310 -12.327 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.799 12.173 -11.560 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.588 11.246 -13.544 1.00 0.00 O ATOM 0 H ASP A 4 -6.383 10.869 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.721 8.681 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.544 10.841 -11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.754 9.815 -12.558 1.00 0.00 H new ATOM 66 N TYR A 5 -4.511 8.242 -9.125 1.00 0.00 N ATOM 67 CA TYR A 5 -3.516 7.318 -8.532 1.00 0.00 C ATOM 68 C TYR A 5 -4.201 6.043 -7.969 1.00 0.00 C ATOM 69 O TYR A 5 -3.546 5.225 -7.305 1.00 0.00 O ATOM 70 CB TYR A 5 -2.706 8.047 -7.416 1.00 0.00 C ATOM 71 CG TYR A 5 -1.912 9.284 -7.900 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.573 10.422 -8.370 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.512 9.316 -7.883 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.885 11.530 -8.803 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.183 10.433 -8.319 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.511 11.536 -8.776 1.00 0.00 C ATOM 77 OH TYR A 5 0.163 12.659 -9.197 1.00 0.00 O ATOM 0 H TYR A 5 -4.870 8.932 -8.465 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.828 7.005 -9.318 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.394 8.358 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.010 7.338 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.653 10.431 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.035 8.456 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.423 12.394 -9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.263 10.441 -8.301 1.00 0.00 H new ATOM 0 HH TYR A 5 1.128 12.510 -9.117 1.00 0.00 H new ATOM 87 N ALA A 6 -5.524 5.896 -8.234 1.00 0.00 N ATOM 88 CA ALA A 6 -6.309 4.712 -7.837 1.00 0.00 C ATOM 89 C ALA A 6 -6.044 3.552 -8.795 1.00 0.00 C ATOM 90 O ALA A 6 -6.579 3.514 -9.915 1.00 0.00 O ATOM 91 CB ALA A 6 -7.814 5.032 -7.780 1.00 0.00 C ATOM 0 H ALA A 6 -6.072 6.599 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.992 4.419 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.365 4.139 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.990 5.824 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.154 5.359 -8.763 1.00 0.00 H new ATOM 97 N ILE A 7 -5.175 2.635 -8.366 1.00 0.00 N ATOM 98 CA ILE A 7 -4.870 1.410 -9.110 1.00 0.00 C ATOM 99 C ILE A 7 -5.731 0.269 -8.545 1.00 0.00 C ATOM 100 O ILE A 7 -5.834 0.116 -7.321 1.00 0.00 O ATOM 101 CB ILE A 7 -3.337 1.043 -9.027 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.459 2.318 -9.294 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.990 -0.099 -10.025 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.960 2.081 -9.321 1.00 0.00 C ATOM 0 H ILE A 7 -4.661 2.721 -7.489 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.100 1.568 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.117 0.682 -8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.759 2.752 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.679 3.058 -8.524 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.929 -0.336 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.578 -0.985 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.220 0.223 -11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.446 3.023 -9.512 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.638 1.680 -8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.718 1.369 -10.110 1.00 0.00 H new ATOM 116 N SER A 8 -6.376 -0.495 -9.435 1.00 0.00 N ATOM 117 CA SER A 8 -7.190 -1.661 -9.050 1.00 0.00 C ATOM 118 C SER A 8 -6.323 -2.933 -9.024 1.00 0.00 C ATOM 119 O SER A 8 -5.329 -3.021 -9.756 1.00 0.00 O ATOM 120 CB SER A 8 -8.360 -1.822 -10.038 1.00 0.00 C ATOM 121 OG SER A 8 -9.153 -0.649 -10.085 1.00 0.00 O ATOM 0 H SER A 8 -6.350 -0.325 -10.440 1.00 0.00 H new ATOM 0 HA SER A 8 -7.592 -1.504 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.972 -2.043 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.977 -2.670 -9.741 1.00 0.00 H new ATOM 0 HG SER A 8 -9.888 -0.776 -10.721 1.00 0.00 H new ATOM 127 N LEU A 9 -6.705 -3.905 -8.170 1.00 0.00 N ATOM 128 CA LEU A 9 -6.019 -5.217 -8.054 1.00 0.00 C ATOM 129 C LEU A 9 -5.978 -5.967 -9.411 1.00 0.00 C ATOM 130 O LEU A 9 -4.996 -6.648 -9.742 1.00 0.00 O ATOM 131 CB LEU A 9 -6.725 -6.078 -6.967 1.00 0.00 C ATOM 132 CG LEU A 9 -6.214 -7.544 -6.787 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.690 -7.587 -6.554 1.00 0.00 C ATOM 134 CD2 LEU A 9 -6.980 -8.267 -5.650 1.00 0.00 C ATOM 0 H LEU A 9 -7.499 -3.806 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.985 -5.039 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.627 -5.564 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.789 -6.116 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.415 -8.079 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.369 -8.622 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.179 -7.146 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.443 -7.023 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.603 -9.285 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.833 -7.730 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.043 -8.296 -5.889 1.00 0.00 H new ATOM 146 N GLU A 10 -7.037 -5.778 -10.196 1.00 0.00 N ATOM 147 CA GLU A 10 -7.228 -6.440 -11.497 1.00 0.00 C ATOM 148 C GLU A 10 -6.382 -5.806 -12.637 1.00 0.00 C ATOM 149 O GLU A 10 -6.537 -6.193 -13.796 1.00 0.00 O ATOM 150 CB GLU A 10 -8.739 -6.418 -11.844 1.00 0.00 C ATOM 151 CG GLU A 10 -9.371 -5.011 -11.870 1.00 0.00 C ATOM 152 CD GLU A 10 -10.882 -5.047 -12.128 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.294 -5.030 -13.308 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.658 -5.136 -11.153 1.00 0.00 O ATOM 0 H GLU A 10 -7.802 -5.151 -9.947 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.874 -7.467 -11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.881 -6.884 -12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.274 -7.029 -11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.180 -4.514 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.888 -4.414 -12.644 1.00 0.00 H new ATOM 161 N GLU A 11 -5.474 -4.864 -12.305 1.00 0.00 N ATOM 162 CA GLU A 11 -4.607 -4.196 -13.308 1.00 0.00 C ATOM 163 C GLU A 11 -3.235 -3.790 -12.718 1.00 0.00 C ATOM 164 O GLU A 11 -2.417 -3.180 -13.419 1.00 0.00 O ATOM 165 CB GLU A 11 -5.346 -2.962 -13.897 1.00 0.00 C ATOM 166 CG GLU A 11 -5.773 -1.910 -12.852 1.00 0.00 C ATOM 167 CD GLU A 11 -6.684 -0.824 -13.433 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.917 -1.030 -13.476 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.181 0.227 -13.870 1.00 0.00 O ATOM 0 H GLU A 11 -5.320 -4.546 -11.348 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.403 -4.910 -14.106 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.698 -2.483 -14.631 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.232 -3.306 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.289 -2.409 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.883 -1.443 -12.431 1.00 0.00 H new ATOM 176 N VAL A 12 -2.975 -4.153 -11.445 1.00 0.00 N ATOM 177 CA VAL A 12 -1.737 -3.757 -10.729 1.00 0.00 C ATOM 178 C VAL A 12 -0.575 -4.741 -11.015 1.00 0.00 C ATOM 179 O VAL A 12 -0.797 -5.869 -11.461 1.00 0.00 O ATOM 180 CB VAL A 12 -1.992 -3.656 -9.172 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.267 -5.035 -8.532 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.850 -2.912 -8.431 1.00 0.00 C ATOM 0 H VAL A 12 -3.609 -4.724 -10.886 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.449 -2.774 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.895 -3.057 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.436 -4.912 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.151 -5.479 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.409 -5.688 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.074 -2.870 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.089 -3.443 -8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.761 -1.899 -8.823 1.00 0.00 H new ATOM 192 N ASN A 13 0.661 -4.267 -10.793 1.00 0.00 N ATOM 193 CA ASN A 13 1.890 -5.078 -10.791 1.00 0.00 C ATOM 194 C ASN A 13 2.724 -4.625 -9.591 1.00 0.00 C ATOM 195 O ASN A 13 3.404 -3.617 -9.678 1.00 0.00 O ATOM 196 CB ASN A 13 2.690 -4.876 -12.112 1.00 0.00 C ATOM 197 CG ASN A 13 2.012 -5.477 -13.344 1.00 0.00 C ATOM 198 OD1 ASN A 13 2.287 -6.614 -13.731 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.106 -4.724 -13.958 1.00 0.00 N ATOM 0 H ASN A 13 0.839 -3.280 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 13 1.647 -6.138 -10.720 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.839 -3.809 -12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.678 -5.322 -11.999 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.614 -5.083 -14.776 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.902 -3.787 -13.611 1.00 0.00 H new ATOM 206 N PHE A 14 2.641 -5.348 -8.461 1.00 0.00 N ATOM 207 CA PHE A 14 3.331 -4.947 -7.203 1.00 0.00 C ATOM 208 C PHE A 14 4.868 -4.908 -7.381 1.00 0.00 C ATOM 209 O PHE A 14 5.556 -4.124 -6.727 1.00 0.00 O ATOM 210 CB PHE A 14 2.942 -5.892 -6.039 1.00 0.00 C ATOM 211 CG PHE A 14 1.452 -5.875 -5.704 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.856 -4.727 -5.194 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.651 -7.000 -5.890 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.488 -4.705 -4.878 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.695 -6.978 -5.573 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.264 -5.830 -5.069 1.00 0.00 C ATOM 0 H PHE A 14 2.106 -6.213 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 14 3.002 -3.937 -6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.236 -6.910 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.508 -5.611 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.453 -3.840 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.088 -7.904 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.933 -3.805 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.299 -7.861 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.316 -5.810 -4.824 1.00 0.00 H new ATOM 226 N ASN A 15 5.370 -5.748 -8.299 1.00 0.00 N ATOM 227 CA ASN A 15 6.801 -5.804 -8.681 1.00 0.00 C ATOM 228 C ASN A 15 7.262 -4.509 -9.403 1.00 0.00 C ATOM 229 O ASN A 15 8.461 -4.209 -9.438 1.00 0.00 O ATOM 230 CB ASN A 15 7.061 -7.046 -9.577 1.00 0.00 C ATOM 231 CG ASN A 15 6.268 -7.024 -10.890 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.124 -7.480 -10.952 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.867 -6.493 -11.949 1.00 0.00 N ATOM 0 H ASN A 15 4.792 -6.418 -8.806 1.00 0.00 H new ATOM 0 HA ASN A 15 7.386 -5.888 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.125 -7.105 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.804 -7.947 -9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.380 -6.454 -12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.814 -6.124 -11.867 1.00 0.00 H new ATOM 240 N ASP A 16 6.298 -3.762 -9.974 1.00 0.00 N ATOM 241 CA ASP A 16 6.557 -2.496 -10.697 1.00 0.00 C ATOM 242 C ASP A 16 6.763 -1.317 -9.718 1.00 0.00 C ATOM 243 O ASP A 16 7.424 -0.332 -10.063 1.00 0.00 O ATOM 244 CB ASP A 16 5.384 -2.183 -11.675 1.00 0.00 C ATOM 245 CG ASP A 16 5.622 -0.955 -12.581 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.615 -0.951 -13.342 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.824 0.005 -12.544 1.00 0.00 O ATOM 0 H ASP A 16 5.311 -4.019 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 16 7.476 -2.621 -11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.209 -3.056 -12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.476 -2.021 -11.094 1.00 0.00 H new ATOM 252 N PHE A 17 6.206 -1.415 -8.491 1.00 0.00 N ATOM 253 CA PHE A 17 6.263 -0.309 -7.500 1.00 0.00 C ATOM 254 C PHE A 17 6.985 -0.777 -6.230 1.00 0.00 C ATOM 255 O PHE A 17 7.064 -1.979 -5.948 1.00 0.00 O ATOM 256 CB PHE A 17 4.831 0.196 -7.111 1.00 0.00 C ATOM 257 CG PHE A 17 3.827 0.245 -8.264 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.701 1.370 -9.066 1.00 0.00 C ATOM 259 CD2 PHE A 17 3.033 -0.859 -8.556 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.823 1.384 -10.134 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.149 -0.842 -9.614 1.00 0.00 C ATOM 262 CZ PHE A 17 2.047 0.273 -10.404 1.00 0.00 C ATOM 0 H PHE A 17 5.713 -2.244 -8.160 1.00 0.00 H new ATOM 0 HA PHE A 17 6.808 0.514 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.433 -0.452 -6.330 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.918 1.194 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.296 2.246 -8.853 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.110 -1.745 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.744 2.263 -10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.537 -1.708 -9.820 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.360 0.283 -11.237 1.00 0.00 H new ATOM 272 N ILE A 18 7.516 0.187 -5.477 1.00 0.00 N ATOM 273 CA ILE A 18 7.931 -0.022 -4.090 1.00 0.00 C ATOM 274 C ILE A 18 6.676 0.110 -3.218 1.00 0.00 C ATOM 275 O ILE A 18 6.198 1.214 -2.967 1.00 0.00 O ATOM 276 CB ILE A 18 9.030 1.017 -3.659 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.242 0.969 -4.654 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.484 0.758 -2.202 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.351 1.967 -4.382 1.00 0.00 C ATOM 0 H ILE A 18 7.671 1.137 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 18 8.378 -1.009 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 18 8.602 2.019 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.667 -0.034 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.867 1.135 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.245 1.487 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.629 0.851 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.899 -0.247 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.138 1.849 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.951 2.979 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.763 1.791 -3.388 1.00 0.00 H new ATOM 291 N VAL A 19 6.130 -1.029 -2.786 1.00 0.00 N ATOM 292 CA VAL A 19 4.800 -1.080 -2.167 1.00 0.00 C ATOM 293 C VAL A 19 4.925 -0.835 -0.649 1.00 0.00 C ATOM 294 O VAL A 19 5.952 -1.154 -0.039 1.00 0.00 O ATOM 295 CB VAL A 19 4.102 -2.464 -2.482 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.645 -2.528 -1.981 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.161 -2.780 -3.998 1.00 0.00 C ATOM 0 H VAL A 19 6.591 -1.936 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 19 4.171 -0.294 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 19 4.663 -3.222 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.219 -3.501 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.625 -2.384 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.060 -1.744 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.675 -3.737 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.648 -1.995 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.201 -2.831 -4.319 1.00 0.00 H new ATOM 307 N VAL A 20 3.896 -0.202 -0.070 1.00 0.00 N ATOM 308 CA VAL A 20 3.745 -0.015 1.380 1.00 0.00 C ATOM 309 C VAL A 20 2.413 -0.633 1.814 1.00 0.00 C ATOM 310 O VAL A 20 1.384 -0.389 1.184 1.00 0.00 O ATOM 311 CB VAL A 20 3.778 1.510 1.785 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.465 1.719 3.286 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.137 2.144 1.428 1.00 0.00 C ATOM 0 H VAL A 20 3.129 0.203 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 20 4.581 -0.503 1.880 1.00 0.00 H new ATOM 0 HB VAL A 20 2.996 2.009 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.499 2.783 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.471 1.330 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.204 1.191 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.135 3.195 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.933 1.623 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.305 2.063 0.354 1.00 0.00 H new ATOM 323 N ASP A 21 2.444 -1.455 2.869 1.00 0.00 N ATOM 324 CA ASP A 21 1.231 -1.966 3.510 1.00 0.00 C ATOM 325 C ASP A 21 0.816 -0.950 4.585 1.00 0.00 C ATOM 326 O ASP A 21 1.487 -0.861 5.604 1.00 0.00 O ATOM 327 CB ASP A 21 1.502 -3.375 4.142 1.00 0.00 C ATOM 328 CG ASP A 21 0.248 -4.268 4.207 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.872 -3.743 4.380 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.371 -5.498 3.960 1.00 0.00 O ATOM 0 H ASP A 21 3.308 -1.783 3.300 1.00 0.00 H new ATOM 0 HA ASP A 21 0.430 -2.088 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.271 -3.884 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.898 -3.243 5.149 1.00 0.00 H new ATOM 335 N VAL A 22 -0.251 -0.152 4.323 1.00 0.00 N ATOM 336 CA VAL A 22 -0.708 0.910 5.260 1.00 0.00 C ATOM 337 C VAL A 22 -1.870 0.416 6.138 1.00 0.00 C ATOM 338 O VAL A 22 -3.047 0.713 5.876 1.00 0.00 O ATOM 339 CB VAL A 22 -1.103 2.249 4.507 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.153 2.999 4.016 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.074 1.977 3.322 1.00 0.00 C ATOM 0 H VAL A 22 -0.810 -0.223 3.473 1.00 0.00 H new ATOM 0 HA VAL A 22 0.138 1.141 5.907 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.624 2.882 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.146 3.913 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.783 3.251 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.711 2.363 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.322 2.918 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.596 1.309 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.986 1.513 3.698 1.00 0.00 H new ATOM 351 N ARG A 23 -1.527 -0.329 7.209 1.00 0.00 N ATOM 352 CA ARG A 23 -2.513 -0.874 8.166 1.00 0.00 C ATOM 353 C ARG A 23 -1.886 -1.079 9.571 1.00 0.00 C ATOM 354 O ARG A 23 -1.975 -0.165 10.405 1.00 0.00 O ATOM 355 CB ARG A 23 -3.164 -2.192 7.643 1.00 0.00 C ATOM 356 CG ARG A 23 -4.213 -2.033 6.516 1.00 0.00 C ATOM 357 CD ARG A 23 -4.720 -3.373 5.982 1.00 0.00 C ATOM 358 NE ARG A 23 -3.663 -4.149 5.308 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.680 -5.477 5.104 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.669 -6.230 5.566 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.662 -6.057 4.497 1.00 0.00 N ATOM 0 H ARG A 23 -0.562 -0.569 7.435 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.308 -0.134 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.371 -2.847 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.638 -2.698 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.057 -1.454 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.775 -1.463 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.126 -3.959 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.538 -3.196 5.283 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.851 -3.635 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.435 -5.803 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.664 -7.236 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.868 -5.498 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.669 -7.065 4.339 1.00 0.00 H new ATOM 375 N GLU A 24 -1.239 -2.257 9.839 1.00 0.00 N ATOM 376 CA GLU A 24 -0.805 -2.617 11.222 1.00 0.00 C ATOM 377 C GLU A 24 0.095 -3.883 11.258 1.00 0.00 C ATOM 378 O GLU A 24 0.062 -4.707 10.348 1.00 0.00 O ATOM 379 CB GLU A 24 -2.067 -2.848 12.116 1.00 0.00 C ATOM 380 CG GLU A 24 -1.838 -2.682 13.628 1.00 0.00 C ATOM 381 CD GLU A 24 -3.129 -2.840 14.452 1.00 0.00 C ATOM 382 OE1 GLU A 24 -3.935 -1.881 14.509 1.00 0.00 O ATOM 383 OE2 GLU A 24 -3.353 -3.925 15.033 1.00 0.00 O ATOM 0 H GLU A 24 -1.013 -2.956 9.131 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.209 -1.788 11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.846 -2.152 11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.445 -3.853 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.107 -3.419 13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.409 -1.698 13.819 1.00 0.00 H new ATOM 390 N LEU A 25 0.876 -4.037 12.352 1.00 0.00 N ATOM 391 CA LEU A 25 1.691 -5.253 12.611 1.00 0.00 C ATOM 392 C LEU A 25 0.817 -6.528 12.578 1.00 0.00 C ATOM 393 O LEU A 25 1.238 -7.551 12.059 1.00 0.00 O ATOM 394 CB LEU A 25 2.408 -5.145 13.989 1.00 0.00 C ATOM 395 CG LEU A 25 3.201 -6.415 14.467 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.409 -6.730 13.551 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.631 -6.280 15.947 1.00 0.00 C ATOM 0 H LEU A 25 0.961 -3.327 13.079 1.00 0.00 H new ATOM 0 HA LEU A 25 2.439 -5.325 11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.101 -4.305 13.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.660 -4.905 14.745 1.00 0.00 H new ATOM 0 HG LEU A 25 2.522 -7.264 14.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.925 -7.615 13.922 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.058 -6.913 12.536 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.095 -5.883 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.177 -7.173 16.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.272 -5.406 16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.747 -6.166 16.574 1.00 0.00 H new ATOM 409 N ASP A 26 -0.402 -6.412 13.123 1.00 0.00 N ATOM 410 CA ASP A 26 -1.385 -7.512 13.226 1.00 0.00 C ATOM 411 C ASP A 26 -1.667 -8.183 11.863 1.00 0.00 C ATOM 412 O ASP A 26 -1.569 -9.421 11.725 1.00 0.00 O ATOM 413 CB ASP A 26 -2.687 -6.935 13.824 1.00 0.00 C ATOM 414 CG ASP A 26 -3.832 -7.952 13.955 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.846 -8.725 14.937 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.729 -7.978 13.080 1.00 0.00 O ATOM 0 H ASP A 26 -0.744 -5.534 13.514 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.974 -8.290 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.468 -6.524 14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.023 -6.107 13.200 1.00 0.00 H new ATOM 421 N GLU A 27 -2.007 -7.357 10.854 1.00 0.00 N ATOM 422 CA GLU A 27 -2.318 -7.860 9.509 1.00 0.00 C ATOM 423 C GLU A 27 -1.067 -8.463 8.851 1.00 0.00 C ATOM 424 O GLU A 27 -1.176 -9.453 8.137 1.00 0.00 O ATOM 425 CB GLU A 27 -3.004 -6.771 8.640 1.00 0.00 C ATOM 426 CG GLU A 27 -2.269 -5.427 8.479 1.00 0.00 C ATOM 427 CD GLU A 27 -1.071 -5.370 7.493 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.900 -6.296 6.670 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.326 -4.366 7.526 1.00 0.00 O ATOM 0 H GLU A 27 -2.072 -6.343 10.948 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.043 -8.669 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.168 -7.187 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.986 -6.569 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.999 -4.682 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.909 -5.123 9.462 1.00 0.00 H new ATOM 436 N TYR A 28 0.110 -7.860 9.118 1.00 0.00 N ATOM 437 CA TYR A 28 1.418 -8.404 8.683 1.00 0.00 C ATOM 438 C TYR A 28 1.614 -9.855 9.181 1.00 0.00 C ATOM 439 O TYR A 28 2.130 -10.704 8.438 1.00 0.00 O ATOM 440 CB TYR A 28 2.551 -7.466 9.192 1.00 0.00 C ATOM 441 CG TYR A 28 3.991 -8.018 9.102 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.772 -7.829 7.964 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.561 -8.727 10.169 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.058 -8.327 7.893 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.840 -9.225 10.096 1.00 0.00 C ATOM 446 CZ TYR A 28 6.584 -9.024 8.957 1.00 0.00 C ATOM 447 OH TYR A 28 7.863 -9.529 8.871 1.00 0.00 O ATOM 0 H TYR A 28 0.183 -6.986 9.639 1.00 0.00 H new ATOM 0 HA TYR A 28 1.450 -8.440 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.505 -6.536 8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.345 -7.215 10.233 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.365 -7.285 7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.983 -8.885 11.067 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.650 -8.170 7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.258 -9.771 10.929 1.00 0.00 H new ATOM 0 HH TYR A 28 8.088 -9.994 9.704 1.00 0.00 H new ATOM 457 N GLU A 29 1.188 -10.113 10.442 1.00 0.00 N ATOM 458 CA GLU A 29 1.326 -11.432 11.095 1.00 0.00 C ATOM 459 C GLU A 29 0.562 -12.509 10.306 1.00 0.00 C ATOM 460 O GLU A 29 1.077 -13.609 10.096 1.00 0.00 O ATOM 461 CB GLU A 29 0.809 -11.404 12.571 1.00 0.00 C ATOM 462 CG GLU A 29 1.434 -10.331 13.492 1.00 0.00 C ATOM 463 CD GLU A 29 2.901 -10.578 13.868 1.00 0.00 C ATOM 464 OE1 GLU A 29 3.795 -10.320 13.038 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.162 -11.048 15.002 1.00 0.00 O ATOM 0 H GLU A 29 0.740 -9.411 11.032 1.00 0.00 H new ATOM 0 HA GLU A 29 2.389 -11.674 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.270 -11.254 12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.987 -12.383 13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.359 -9.362 12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.845 -10.270 14.407 1.00 0.00 H new ATOM 472 N GLU A 30 -0.686 -12.195 9.902 1.00 0.00 N ATOM 473 CA GLU A 30 -1.527 -13.157 9.137 1.00 0.00 C ATOM 474 C GLU A 30 -1.073 -13.297 7.651 1.00 0.00 C ATOM 475 O GLU A 30 -0.919 -14.427 7.166 1.00 0.00 O ATOM 476 CB GLU A 30 -3.047 -12.827 9.275 1.00 0.00 C ATOM 477 CG GLU A 30 -3.438 -11.360 9.050 1.00 0.00 C ATOM 478 CD GLU A 30 -4.947 -11.100 9.196 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.412 -10.872 10.334 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.675 -11.139 8.178 1.00 0.00 O ATOM 0 H GLU A 30 -1.135 -11.298 10.086 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.376 -14.139 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.599 -13.443 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.374 -13.121 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.899 -10.735 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.119 -11.056 8.053 1.00 0.00 H new ATOM 487 N LEU A 31 -0.856 -12.162 6.937 1.00 0.00 N ATOM 488 CA LEU A 31 -0.348 -12.164 5.533 1.00 0.00 C ATOM 489 C LEU A 31 0.069 -10.747 5.092 1.00 0.00 C ATOM 490 O LEU A 31 -0.474 -9.763 5.579 1.00 0.00 O ATOM 491 CB LEU A 31 -1.390 -12.730 4.504 1.00 0.00 C ATOM 492 CG LEU A 31 -2.676 -11.872 4.226 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.412 -12.345 2.959 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.635 -11.879 5.426 1.00 0.00 C ATOM 0 H LEU A 31 -1.025 -11.228 7.310 1.00 0.00 H new ATOM 0 HA LEU A 31 0.518 -12.826 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.876 -12.883 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.710 -13.711 4.855 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.338 -10.848 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.296 -11.727 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.748 -12.257 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.713 -13.385 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.512 -11.275 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.945 -12.902 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.129 -11.465 6.298 1.00 0.00 H new ATOM 506 N HIS A 32 1.007 -10.660 4.132 1.00 0.00 N ATOM 507 CA HIS A 32 1.438 -9.377 3.538 1.00 0.00 C ATOM 508 C HIS A 32 2.218 -9.656 2.242 1.00 0.00 C ATOM 509 O HIS A 32 2.713 -10.770 2.033 1.00 0.00 O ATOM 510 CB HIS A 32 2.306 -8.546 4.539 1.00 0.00 C ATOM 511 CG HIS A 32 3.736 -9.018 4.679 1.00 0.00 C ATOM 512 ND1 HIS A 32 4.080 -10.303 5.037 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.909 -8.378 4.437 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.391 -10.424 5.005 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.918 -9.276 4.645 1.00 0.00 N ATOM 0 H HIS A 32 1.487 -11.473 3.746 1.00 0.00 H new ATOM 0 HA HIS A 32 0.554 -8.782 3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.311 -7.505 4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.831 -8.573 5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.024 -7.347 4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.944 -11.322 5.237 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.915 -9.086 4.538 1.00 0.00 H new ATOM 524 N LEU A 33 2.305 -8.642 1.376 1.00 0.00 N ATOM 525 CA LEU A 33 3.161 -8.684 0.176 1.00 0.00 C ATOM 526 C LEU A 33 4.646 -8.640 0.572 1.00 0.00 C ATOM 527 O LEU A 33 5.013 -7.879 1.466 1.00 0.00 O ATOM 528 CB LEU A 33 2.843 -7.480 -0.748 1.00 0.00 C ATOM 529 CG LEU A 33 1.511 -7.557 -1.529 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.063 -6.157 -1.987 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.620 -8.533 -2.730 1.00 0.00 C ATOM 0 H LEU A 33 1.788 -7.769 1.482 1.00 0.00 H new ATOM 0 HA LEU A 33 2.960 -9.615 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.833 -6.575 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.656 -7.374 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 33 0.749 -7.949 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.124 -6.236 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.922 -5.517 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.825 -5.725 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.668 -8.566 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.401 -8.189 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.868 -9.530 -2.367 1.00 0.00 H new ATOM 543 N PRO A 34 5.530 -9.408 -0.136 1.00 0.00 N ATOM 544 CA PRO A 34 6.996 -9.344 0.092 1.00 0.00 C ATOM 545 C PRO A 34 7.586 -8.001 -0.423 1.00 0.00 C ATOM 546 O PRO A 34 8.712 -7.631 -0.082 1.00 0.00 O ATOM 547 CB PRO A 34 7.527 -10.553 -0.715 1.00 0.00 C ATOM 548 CG PRO A 34 6.525 -10.735 -1.810 1.00 0.00 C ATOM 549 CD PRO A 34 5.177 -10.368 -1.222 1.00 0.00 C ATOM 0 HA PRO A 34 7.273 -9.385 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.522 -10.358 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.602 -11.445 -0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.762 -10.100 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.525 -11.764 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.524 -9.912 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.656 -11.243 -0.833 1.00 0.00 H new ATOM 557 N ASN A 35 6.781 -7.293 -1.250 1.00 0.00 N ATOM 558 CA ASN A 35 7.120 -5.982 -1.827 1.00 0.00 C ATOM 559 C ASN A 35 6.599 -4.827 -0.942 1.00 0.00 C ATOM 560 O ASN A 35 6.942 -3.658 -1.183 1.00 0.00 O ATOM 561 CB ASN A 35 6.500 -5.861 -3.254 1.00 0.00 C ATOM 562 CG ASN A 35 6.927 -6.991 -4.207 1.00 0.00 C ATOM 563 OD1 ASN A 35 7.949 -6.894 -4.887 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.138 -8.063 -4.271 1.00 0.00 N ATOM 0 H ASN A 35 5.861 -7.628 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 35 8.206 -5.908 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.413 -5.858 -3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.789 -4.903 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.374 -8.833 -4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.298 -8.113 -3.695 1.00 0.00 H new ATOM 571 N ALA A 36 5.759 -5.162 0.073 1.00 0.00 N ATOM 572 CA ALA A 36 5.072 -4.165 0.925 1.00 0.00 C ATOM 573 C ALA A 36 5.868 -3.859 2.200 1.00 0.00 C ATOM 574 O ALA A 36 6.307 -4.775 2.905 1.00 0.00 O ATOM 575 CB ALA A 36 3.658 -4.634 1.287 1.00 0.00 C ATOM 0 H ALA A 36 5.542 -6.128 0.320 1.00 0.00 H new ATOM 0 HA ALA A 36 5.000 -3.245 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.175 -3.884 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.077 -4.775 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.715 -5.577 1.830 1.00 0.00 H new ATOM 581 N THR A 37 6.030 -2.558 2.482 1.00 0.00 N ATOM 582 CA THR A 37 6.693 -2.055 3.688 1.00 0.00 C ATOM 583 C THR A 37 5.655 -1.856 4.799 1.00 0.00 C ATOM 584 O THR A 37 4.676 -1.128 4.606 1.00 0.00 O ATOM 585 CB THR A 37 7.416 -0.706 3.382 1.00 0.00 C ATOM 586 OG1 THR A 37 8.298 -0.888 2.264 1.00 0.00 O ATOM 587 CG2 THR A 37 8.210 -0.177 4.597 1.00 0.00 C ATOM 0 H THR A 37 5.698 -1.816 1.866 1.00 0.00 H new ATOM 0 HA THR A 37 7.436 -2.781 4.017 1.00 0.00 H new ATOM 0 HB THR A 37 6.654 0.037 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.635 -0.017 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.695 0.763 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.530 -0.013 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.967 -0.908 4.883 1.00 0.00 H new ATOM 595 N LEU A 38 5.874 -2.511 5.947 1.00 0.00 N ATOM 596 CA LEU A 38 4.957 -2.459 7.091 1.00 0.00 C ATOM 597 C LEU A 38 4.973 -1.061 7.753 1.00 0.00 C ATOM 598 O LEU A 38 5.901 -0.715 8.498 1.00 0.00 O ATOM 599 CB LEU A 38 5.319 -3.563 8.121 1.00 0.00 C ATOM 600 CG LEU A 38 4.445 -3.593 9.415 1.00 0.00 C ATOM 601 CD1 LEU A 38 2.951 -3.804 9.073 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.960 -4.655 10.417 1.00 0.00 C ATOM 0 H LEU A 38 6.696 -3.094 6.108 1.00 0.00 H new ATOM 0 HA LEU A 38 3.946 -2.642 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.241 -4.533 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.362 -3.436 8.412 1.00 0.00 H new ATOM 0 HG LEU A 38 4.534 -2.622 9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.366 -3.821 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.605 -2.989 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.828 -4.751 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.331 -4.651 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.925 -5.640 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.987 -4.422 10.698 1.00 0.00 H new ATOM 614 N ILE A 39 3.955 -0.253 7.418 1.00 0.00 N ATOM 615 CA ILE A 39 3.701 1.070 8.026 1.00 0.00 C ATOM 616 C ILE A 39 2.226 1.128 8.447 1.00 0.00 C ATOM 617 O ILE A 39 1.357 0.621 7.741 1.00 0.00 O ATOM 618 CB ILE A 39 4.020 2.258 7.021 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.517 2.214 6.569 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.665 3.648 7.624 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.945 3.282 5.568 1.00 0.00 C ATOM 0 H ILE A 39 3.270 -0.502 6.704 1.00 0.00 H new ATOM 0 HA ILE A 39 4.359 1.192 8.887 1.00 0.00 H new ATOM 0 HB ILE A 39 3.387 2.118 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.146 2.302 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.715 1.235 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.900 4.429 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.602 3.681 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.244 3.809 8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.000 3.154 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.352 3.187 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.789 4.270 6.001 1.00 0.00 H new ATOM 633 N SER A 40 1.934 1.736 9.596 1.00 0.00 N ATOM 634 CA SER A 40 0.544 1.951 10.014 1.00 0.00 C ATOM 635 C SER A 40 -0.015 3.189 9.280 1.00 0.00 C ATOM 636 O SER A 40 0.696 4.190 9.134 1.00 0.00 O ATOM 637 CB SER A 40 0.449 2.129 11.541 1.00 0.00 C ATOM 638 OG SER A 40 1.158 1.112 12.236 1.00 0.00 O ATOM 0 H SER A 40 2.633 2.087 10.251 1.00 0.00 H new ATOM 0 HA SER A 40 -0.050 1.076 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.848 3.105 11.819 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.598 2.114 11.844 1.00 0.00 H new ATOM 0 HG SER A 40 1.077 1.258 13.202 1.00 0.00 H new ATOM 644 N VAL A 41 -1.270 3.096 8.791 1.00 0.00 N ATOM 645 CA VAL A 41 -2.007 4.235 8.187 1.00 0.00 C ATOM 646 C VAL A 41 -1.976 5.500 9.089 1.00 0.00 C ATOM 647 O VAL A 41 -1.881 6.610 8.586 1.00 0.00 O ATOM 648 CB VAL A 41 -3.500 3.828 7.864 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.212 3.268 9.119 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.302 5.005 7.231 1.00 0.00 C ATOM 0 H VAL A 41 -1.805 2.228 8.802 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.498 4.485 7.256 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.463 3.033 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.237 2.997 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.681 2.385 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.220 4.027 9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.322 4.681 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.321 5.846 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.824 5.312 6.301 1.00 0.00 H new ATOM 660 N ASN A 42 -2.019 5.300 10.424 1.00 0.00 N ATOM 661 CA ASN A 42 -2.026 6.403 11.415 1.00 0.00 C ATOM 662 C ASN A 42 -0.628 7.054 11.588 1.00 0.00 C ATOM 663 O ASN A 42 -0.530 8.190 12.073 1.00 0.00 O ATOM 664 CB ASN A 42 -2.583 5.897 12.782 1.00 0.00 C ATOM 665 CG ASN A 42 -1.815 4.719 13.408 1.00 0.00 C ATOM 666 OD1 ASN A 42 -0.596 4.622 13.319 1.00 0.00 O ATOM 667 ND2 ASN A 42 -2.534 3.808 14.054 1.00 0.00 N ATOM 0 H ASN A 42 -2.050 4.372 10.846 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.685 7.182 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.579 6.728 13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.623 5.600 12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.073 3.008 14.488 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.547 3.908 14.116 1.00 0.00 H new ATOM 674 N ASP A 43 0.445 6.312 11.226 1.00 0.00 N ATOM 675 CA ASP A 43 1.835 6.813 11.293 1.00 0.00 C ATOM 676 C ASP A 43 2.134 7.698 10.077 1.00 0.00 C ATOM 677 O ASP A 43 2.710 7.243 9.081 1.00 0.00 O ATOM 678 CB ASP A 43 2.875 5.644 11.411 1.00 0.00 C ATOM 679 CG ASP A 43 2.985 5.038 12.825 1.00 0.00 C ATOM 680 OD1 ASP A 43 3.247 5.795 13.785 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.835 3.807 12.981 1.00 0.00 O ATOM 0 H ASP A 43 0.371 5.355 10.881 1.00 0.00 H new ATOM 0 HA ASP A 43 1.932 7.413 12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.600 4.856 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.855 6.012 11.108 1.00 0.00 H new ATOM 686 N GLN A 44 1.692 8.967 10.162 1.00 0.00 N ATOM 687 CA GLN A 44 2.013 9.997 9.164 1.00 0.00 C ATOM 688 C GLN A 44 3.533 10.256 9.134 1.00 0.00 C ATOM 689 O GLN A 44 4.110 10.422 8.067 1.00 0.00 O ATOM 690 CB GLN A 44 1.225 11.323 9.451 1.00 0.00 C ATOM 691 CG GLN A 44 -0.197 11.420 8.829 1.00 0.00 C ATOM 692 CD GLN A 44 -1.114 10.246 9.158 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.768 10.221 10.202 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.218 9.298 8.246 1.00 0.00 N ATOM 0 H GLN A 44 1.104 9.304 10.924 1.00 0.00 H new ATOM 0 HA GLN A 44 1.705 9.634 8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.136 11.443 10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.818 12.161 9.085 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.668 12.340 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.101 11.497 7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.662 9.349 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.854 8.515 8.395 1.00 0.00 H new ATOM 703 N GLU A 45 4.158 10.248 10.324 1.00 0.00 N ATOM 704 CA GLU A 45 5.606 10.485 10.488 1.00 0.00 C ATOM 705 C GLU A 45 6.460 9.420 9.761 1.00 0.00 C ATOM 706 O GLU A 45 7.428 9.761 9.090 1.00 0.00 O ATOM 707 CB GLU A 45 5.971 10.551 11.997 1.00 0.00 C ATOM 708 CG GLU A 45 5.632 9.281 12.808 1.00 0.00 C ATOM 709 CD GLU A 45 5.952 9.418 14.301 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.111 9.163 14.695 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.052 9.811 15.080 1.00 0.00 O ATOM 0 H GLU A 45 3.672 10.076 11.204 1.00 0.00 H new ATOM 0 HA GLU A 45 5.836 11.444 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.039 10.748 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.451 11.399 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.573 9.053 12.689 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.188 8.437 12.399 1.00 0.00 H new ATOM 718 N LYS A 46 6.053 8.139 9.871 1.00 0.00 N ATOM 719 CA LYS A 46 6.790 6.996 9.287 1.00 0.00 C ATOM 720 C LYS A 46 6.530 6.898 7.774 1.00 0.00 C ATOM 721 O LYS A 46 7.449 6.629 6.991 1.00 0.00 O ATOM 722 CB LYS A 46 6.382 5.677 10.010 1.00 0.00 C ATOM 723 CG LYS A 46 6.946 4.335 9.437 1.00 0.00 C ATOM 724 CD LYS A 46 8.468 4.080 9.664 1.00 0.00 C ATOM 725 CE LYS A 46 9.400 4.824 8.686 1.00 0.00 C ATOM 726 NZ LYS A 46 10.840 4.510 8.908 1.00 0.00 N ATOM 0 H LYS A 46 5.204 7.866 10.367 1.00 0.00 H new ATOM 0 HA LYS A 46 7.859 7.155 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.692 5.755 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.294 5.614 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.389 3.510 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.750 4.310 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.724 4.374 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.659 3.010 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.129 4.562 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.247 5.898 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.426 5.281 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.020 4.407 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.080 3.622 8.423 1.00 0.00 H new ATOM 740 N LEU A 47 5.280 7.134 7.376 1.00 0.00 N ATOM 741 CA LEU A 47 4.854 7.025 5.974 1.00 0.00 C ATOM 742 C LEU A 47 5.489 8.132 5.114 1.00 0.00 C ATOM 743 O LEU A 47 5.994 7.882 4.015 1.00 0.00 O ATOM 744 CB LEU A 47 3.319 7.096 5.903 1.00 0.00 C ATOM 745 CG LEU A 47 2.677 6.872 4.505 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.076 5.500 3.905 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.150 7.023 4.598 1.00 0.00 C ATOM 0 H LEU A 47 4.532 7.406 8.013 1.00 0.00 H new ATOM 0 HA LEU A 47 5.191 6.068 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.911 6.353 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.006 8.074 6.269 1.00 0.00 H new ATOM 0 HG LEU A 47 3.060 7.634 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.608 5.380 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.160 5.452 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.742 4.702 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.708 6.865 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.753 6.286 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.904 8.025 4.949 1.00 0.00 H new ATOM 759 N ALA A 48 5.467 9.356 5.655 1.00 0.00 N ATOM 760 CA ALA A 48 6.045 10.536 5.006 1.00 0.00 C ATOM 761 C ALA A 48 7.583 10.503 5.056 1.00 0.00 C ATOM 762 O ALA A 48 8.229 11.055 4.170 1.00 0.00 O ATOM 763 CB ALA A 48 5.490 11.802 5.655 1.00 0.00 C ATOM 0 H ALA A 48 5.044 9.555 6.562 1.00 0.00 H new ATOM 0 HA ALA A 48 5.763 10.533 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.921 12.678 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.406 11.823 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.746 11.810 6.714 1.00 0.00 H new ATOM 769 N ASP A 49 8.151 9.850 6.098 1.00 0.00 N ATOM 770 CA ASP A 49 9.612 9.583 6.197 1.00 0.00 C ATOM 771 C ASP A 49 10.063 8.684 5.040 1.00 0.00 C ATOM 772 O ASP A 49 11.058 8.978 4.370 1.00 0.00 O ATOM 773 CB ASP A 49 9.967 8.907 7.555 1.00 0.00 C ATOM 774 CG ASP A 49 11.419 8.379 7.637 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.351 9.203 7.736 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.630 7.140 7.582 1.00 0.00 O ATOM 0 H ASP A 49 7.616 9.494 6.890 1.00 0.00 H new ATOM 0 HA ASP A 49 10.134 10.538 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.807 9.625 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.280 8.078 7.727 1.00 0.00 H new ATOM 781 N PHE A 50 9.292 7.603 4.822 1.00 0.00 N ATOM 782 CA PHE A 50 9.535 6.618 3.754 1.00 0.00 C ATOM 783 C PHE A 50 9.587 7.309 2.384 1.00 0.00 C ATOM 784 O PHE A 50 10.479 7.055 1.572 1.00 0.00 O ATOM 785 CB PHE A 50 8.417 5.543 3.768 1.00 0.00 C ATOM 786 CG PHE A 50 8.617 4.415 2.749 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.339 3.275 3.088 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.090 4.499 1.457 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.528 2.261 2.176 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.286 3.481 0.546 1.00 0.00 C ATOM 791 CZ PHE A 50 9.001 2.363 0.909 1.00 0.00 C ATOM 0 H PHE A 50 8.473 7.387 5.390 1.00 0.00 H new ATOM 0 HA PHE A 50 10.497 6.137 3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.358 5.109 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.460 6.027 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.757 3.184 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.522 5.371 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.091 1.383 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.879 3.562 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.149 1.564 0.198 1.00 0.00 H new ATOM 801 N LEU A 51 8.610 8.186 2.150 1.00 0.00 N ATOM 802 CA LEU A 51 8.514 8.960 0.911 1.00 0.00 C ATOM 803 C LEU A 51 9.646 10.002 0.819 1.00 0.00 C ATOM 804 O LEU A 51 10.176 10.228 -0.258 1.00 0.00 O ATOM 805 CB LEU A 51 7.125 9.625 0.812 1.00 0.00 C ATOM 806 CG LEU A 51 5.916 8.637 0.804 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.580 9.392 0.753 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.019 7.621 -0.355 1.00 0.00 C ATOM 0 H LEU A 51 7.862 8.380 2.815 1.00 0.00 H new ATOM 0 HA LEU A 51 8.631 8.283 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.008 10.311 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.090 10.224 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 51 5.951 8.077 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.758 8.677 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.494 10.038 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.539 9.998 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.160 6.950 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.034 8.154 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.936 7.041 -0.250 1.00 0.00 H new ATOM 820 N SER A 52 10.037 10.576 1.969 1.00 0.00 N ATOM 821 CA SER A 52 11.100 11.604 2.050 1.00 0.00 C ATOM 822 C SER A 52 12.513 11.003 1.828 1.00 0.00 C ATOM 823 O SER A 52 13.463 11.752 1.581 1.00 0.00 O ATOM 824 CB SER A 52 11.029 12.327 3.413 1.00 0.00 C ATOM 825 OG SER A 52 12.012 13.345 3.532 1.00 0.00 O ATOM 0 H SER A 52 9.627 10.343 2.873 1.00 0.00 H new ATOM 0 HA SER A 52 10.928 12.322 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.039 12.764 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.162 11.601 4.215 1.00 0.00 H new ATOM 0 HG SER A 52 12.776 13.131 2.957 1.00 0.00 H new ATOM 831 N GLN A 53 12.643 9.655 1.917 1.00 0.00 N ATOM 832 CA GLN A 53 13.932 8.932 1.704 1.00 0.00 C ATOM 833 C GLN A 53 14.556 9.236 0.319 1.00 0.00 C ATOM 834 O GLN A 53 15.783 9.244 0.178 1.00 0.00 O ATOM 835 CB GLN A 53 13.730 7.397 1.878 1.00 0.00 C ATOM 836 CG GLN A 53 13.349 6.942 3.309 1.00 0.00 C ATOM 837 CD GLN A 53 14.420 7.218 4.374 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.621 7.213 4.091 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.997 7.441 5.608 1.00 0.00 N ATOM 0 H GLN A 53 11.862 9.036 2.138 1.00 0.00 H new ATOM 0 HA GLN A 53 14.630 9.292 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.951 7.068 1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.649 6.890 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.426 7.443 3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.139 5.873 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.998 7.439 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.670 7.615 6.354 1.00 0.00 H new ATOM 848 N HIS A 54 13.692 9.498 -0.685 1.00 0.00 N ATOM 849 CA HIS A 54 14.119 9.849 -2.065 1.00 0.00 C ATOM 850 C HIS A 54 13.093 10.779 -2.739 1.00 0.00 C ATOM 851 O HIS A 54 13.477 11.705 -3.459 1.00 0.00 O ATOM 852 CB HIS A 54 14.358 8.566 -2.943 1.00 0.00 C ATOM 853 CG HIS A 54 15.809 8.147 -3.065 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.627 8.589 -4.080 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.580 7.333 -2.301 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.827 8.068 -3.940 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.830 7.306 -2.866 1.00 0.00 N ATOM 0 H HIS A 54 12.679 9.473 -0.566 1.00 0.00 H new ATOM 0 HA HIS A 54 15.068 10.379 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.789 7.739 -2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.960 8.746 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.268 6.804 -1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.668 8.237 -4.596 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.630 6.782 -2.512 1.00 0.00 H new ATOM 866 N LYS A 55 11.797 10.496 -2.505 1.00 0.00 N ATOM 867 CA LYS A 55 10.627 11.121 -3.184 1.00 0.00 C ATOM 868 C LYS A 55 10.495 10.623 -4.627 1.00 0.00 C ATOM 869 O LYS A 55 9.419 10.162 -5.032 1.00 0.00 O ATOM 870 CB LYS A 55 10.605 12.677 -3.113 1.00 0.00 C ATOM 871 CG LYS A 55 10.323 13.253 -1.706 1.00 0.00 C ATOM 872 CD LYS A 55 10.130 14.789 -1.710 1.00 0.00 C ATOM 873 CE LYS A 55 8.926 15.235 -2.559 1.00 0.00 C ATOM 874 NZ LYS A 55 8.749 16.711 -2.546 1.00 0.00 N ATOM 0 H LYS A 55 11.517 9.801 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 55 9.752 10.796 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.565 13.057 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.846 13.048 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.429 12.781 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.149 12.998 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.996 15.137 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.034 15.264 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.061 14.896 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.021 14.758 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.927 16.967 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.594 17.033 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.602 17.166 -2.929 1.00 0.00 H new ATOM 888 N ASP A 56 11.584 10.729 -5.407 1.00 0.00 N ATOM 889 CA ASP A 56 11.655 10.196 -6.774 1.00 0.00 C ATOM 890 C ASP A 56 11.909 8.675 -6.742 1.00 0.00 C ATOM 891 O ASP A 56 13.018 8.192 -7.007 1.00 0.00 O ATOM 892 CB ASP A 56 12.728 10.942 -7.611 1.00 0.00 C ATOM 893 CG ASP A 56 12.402 12.431 -7.821 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.622 12.758 -8.741 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.912 13.285 -7.058 1.00 0.00 O ATOM 0 H ASP A 56 12.442 11.189 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 56 10.696 10.365 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.694 10.854 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.825 10.457 -8.582 1.00 0.00 H new ATOM 900 N LYS A 57 10.865 7.956 -6.319 1.00 0.00 N ATOM 901 CA LYS A 57 10.735 6.506 -6.434 1.00 0.00 C ATOM 902 C LYS A 57 9.224 6.191 -6.405 1.00 0.00 C ATOM 903 O LYS A 57 8.462 6.851 -5.673 1.00 0.00 O ATOM 904 CB LYS A 57 11.525 5.721 -5.330 1.00 0.00 C ATOM 905 CG LYS A 57 10.904 5.670 -3.912 1.00 0.00 C ATOM 906 CD LYS A 57 10.945 7.018 -3.154 1.00 0.00 C ATOM 907 CE LYS A 57 10.411 6.897 -1.717 1.00 0.00 C ATOM 908 NZ LYS A 57 11.133 5.864 -0.915 1.00 0.00 N ATOM 0 H LYS A 57 10.057 8.388 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 57 11.185 6.170 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.660 4.696 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.518 6.163 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.867 5.343 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.431 4.919 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.970 7.386 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.355 7.756 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.498 7.863 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.350 6.650 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.042 6.084 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.721 4.928 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.139 5.860 -1.180 1.00 0.00 H new ATOM 922 N LYS A 58 8.792 5.204 -7.196 1.00 0.00 N ATOM 923 CA LYS A 58 7.358 4.967 -7.467 1.00 0.00 C ATOM 924 C LYS A 58 6.749 4.075 -6.372 1.00 0.00 C ATOM 925 O LYS A 58 6.948 2.866 -6.375 1.00 0.00 O ATOM 926 CB LYS A 58 7.165 4.351 -8.873 1.00 0.00 C ATOM 927 CG LYS A 58 5.739 4.531 -9.432 1.00 0.00 C ATOM 928 CD LYS A 58 5.656 4.315 -10.953 1.00 0.00 C ATOM 929 CE LYS A 58 6.037 2.889 -11.386 1.00 0.00 C ATOM 930 NZ LYS A 58 5.907 2.693 -12.855 1.00 0.00 N ATOM 0 H LYS A 58 9.415 4.548 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 58 6.833 5.922 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.877 4.806 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.399 3.287 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.069 3.830 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.385 5.534 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.642 4.531 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.315 5.027 -11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.063 2.681 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.400 2.172 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.522 1.746 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.266 3.413 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.842 2.783 -13.301 1.00 0.00 H new ATOM 944 N VAL A 59 6.032 4.693 -5.421 1.00 0.00 N ATOM 945 CA VAL A 59 5.501 3.990 -4.234 1.00 0.00 C ATOM 946 C VAL A 59 3.990 3.717 -4.365 1.00 0.00 C ATOM 947 O VAL A 59 3.247 4.543 -4.908 1.00 0.00 O ATOM 948 CB VAL A 59 5.814 4.804 -2.928 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.286 4.097 -1.660 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.332 5.071 -2.807 1.00 0.00 C ATOM 0 H VAL A 59 5.803 5.687 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 59 6.000 3.023 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 59 5.291 5.757 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.526 4.697 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.205 3.977 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.754 3.117 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.531 5.636 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.866 4.122 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.671 5.644 -3.670 1.00 0.00 H new ATOM 960 N LEU A 60 3.559 2.544 -3.851 1.00 0.00 N ATOM 961 CA LEU A 60 2.161 2.076 -3.924 1.00 0.00 C ATOM 962 C LEU A 60 1.623 1.711 -2.521 1.00 0.00 C ATOM 963 O LEU A 60 1.953 0.655 -1.986 1.00 0.00 O ATOM 964 CB LEU A 60 2.087 0.834 -4.844 1.00 0.00 C ATOM 965 CG LEU A 60 0.680 0.190 -5.021 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.262 1.122 -5.802 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.787 -1.195 -5.689 1.00 0.00 C ATOM 0 H LEU A 60 4.178 1.892 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 60 1.546 2.880 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.461 1.115 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.763 0.076 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 60 0.249 0.045 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.237 0.646 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.375 2.062 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.157 1.319 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.209 -1.623 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.250 -1.091 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.396 -1.852 -5.069 1.00 0.00 H new ATOM 979 N LEU A 61 0.775 2.570 -1.945 1.00 0.00 N ATOM 980 CA LEU A 61 0.169 2.330 -0.618 1.00 0.00 C ATOM 981 C LEU A 61 -1.045 1.390 -0.770 1.00 0.00 C ATOM 982 O LEU A 61 -2.131 1.835 -1.116 1.00 0.00 O ATOM 983 CB LEU A 61 -0.255 3.687 0.039 1.00 0.00 C ATOM 984 CG LEU A 61 0.885 4.577 0.650 1.00 0.00 C ATOM 985 CD1 LEU A 61 2.005 4.893 -0.360 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.302 5.888 1.221 1.00 0.00 C ATOM 0 H LEU A 61 0.487 3.448 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 61 0.902 1.855 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.778 4.278 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.974 3.469 0.829 1.00 0.00 H new ATOM 0 HG LEU A 61 1.335 3.996 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.764 5.511 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.458 3.963 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.586 5.429 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.107 6.492 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.192 6.444 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.421 5.655 2.002 1.00 0.00 H new ATOM 998 N HIS A 62 -0.856 0.084 -0.533 1.00 0.00 N ATOM 999 CA HIS A 62 -1.949 -0.903 -0.666 1.00 0.00 C ATOM 1000 C HIS A 62 -2.648 -1.109 0.689 1.00 0.00 C ATOM 1001 O HIS A 62 -2.015 -0.993 1.750 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.423 -2.257 -1.244 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.974 -3.287 -0.230 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.813 -4.264 0.264 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.223 -3.507 0.356 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.150 -5.032 1.096 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.088 -4.599 1.167 1.00 0.00 N ATOM 0 H HIS A 62 0.038 -0.317 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.680 -0.512 -1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.211 -2.698 -1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.586 -2.044 -1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.122 -2.926 0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.554 -5.878 1.632 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.828 -5.011 1.735 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.945 -1.442 0.637 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.744 -1.777 1.834 1.00 0.00 C ATOM 1018 C CYS A 63 -5.645 -2.985 1.555 1.00 0.00 C ATOM 1019 O CYS A 63 -5.923 -3.295 0.391 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.589 -0.581 2.305 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.568 -0.908 3.786 1.00 0.00 S ATOM 0 H CYS A 63 -4.474 -1.488 -0.234 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.048 -2.029 2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.928 0.263 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.259 -0.283 1.498 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.738 -0.355 3.664 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.046 -3.664 2.648 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.900 -4.877 2.636 1.00 0.00 C ATOM 1029 C ARG A 64 -8.152 -4.733 1.754 1.00 0.00 C ATOM 1030 O ARG A 64 -8.558 -5.682 1.102 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.327 -5.226 4.081 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.097 -6.549 4.217 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.472 -6.867 5.666 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.394 -5.866 6.237 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.689 -6.064 6.527 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.285 -7.216 6.250 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -11.391 -5.090 7.092 1.00 0.00 N ATOM 0 H ARG A 64 -5.780 -3.379 3.591 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.299 -5.678 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.437 -5.273 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.948 -4.418 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.003 -6.501 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.490 -7.361 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.935 -7.853 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.567 -6.912 6.272 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.012 -4.940 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.758 -7.970 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.270 -7.348 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.946 -4.197 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.376 -5.234 7.315 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.790 -3.561 1.795 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.913 -3.236 0.890 1.00 0.00 C ATOM 1053 C ALA A 65 -9.526 -2.055 -0.007 1.00 0.00 C ATOM 1054 O ALA A 65 -9.649 -2.129 -1.236 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.185 -2.935 1.691 1.00 0.00 C ATOM 0 H ALA A 65 -8.552 -2.813 2.446 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.123 -4.098 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.999 -2.698 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.454 -3.807 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.007 -2.085 2.350 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.044 -0.965 0.624 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.543 0.203 -0.112 1.00 0.00 C ATOM 1063 C GLY A 66 -8.877 1.542 0.534 1.00 0.00 C ATOM 1064 O GLY A 66 -8.468 2.585 0.009 1.00 0.00 O ATOM 0 H GLY A 66 -8.993 -0.874 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.461 0.120 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.956 0.187 -1.121 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.625 1.530 1.666 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.004 2.769 2.388 1.00 0.00 C ATOM 1070 C ARG A 67 -8.730 3.439 2.931 1.00 0.00 C ATOM 1071 O ARG A 67 -8.478 4.609 2.653 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.024 2.469 3.543 1.00 0.00 C ATOM 1073 CG ARG A 67 -12.050 3.597 3.912 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.450 4.899 4.522 1.00 0.00 C ATOM 1075 NE ARG A 67 -10.887 5.802 3.495 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.897 7.142 3.524 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.452 7.806 4.527 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.347 7.814 2.517 1.00 0.00 N ATOM 0 H ARG A 67 -9.977 0.676 2.098 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.503 3.448 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.588 1.577 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.455 2.225 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.604 3.864 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.770 3.187 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.225 5.426 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.669 4.635 5.236 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.448 5.362 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.884 7.297 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.448 8.826 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.925 7.309 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.347 8.834 2.524 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.921 2.657 3.666 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.672 3.152 4.287 1.00 0.00 C ATOM 1094 C ARG A 68 -5.612 3.477 3.223 1.00 0.00 C ATOM 1095 O ARG A 68 -4.749 4.321 3.448 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.119 2.113 5.289 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.092 1.737 6.423 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.548 2.955 7.255 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.270 2.571 8.490 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.188 3.215 9.673 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -7.368 4.253 9.828 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -8.918 2.806 10.706 1.00 0.00 N ATOM 0 H ARG A 68 -8.109 1.671 3.848 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.908 4.071 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.850 1.208 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.202 2.504 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.967 1.247 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.612 1.013 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.677 3.554 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.194 3.585 6.644 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.878 1.754 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.793 4.570 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.315 4.731 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.541 2.005 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.855 3.294 11.600 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.694 2.769 2.081 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.841 3.029 0.904 1.00 0.00 C ATOM 1118 C ALA A 69 -5.033 4.471 0.424 1.00 0.00 C ATOM 1119 O ALA A 69 -4.068 5.242 0.355 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.157 2.025 -0.222 1.00 0.00 C ATOM 0 H ALA A 69 -6.352 2.001 1.947 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.797 2.898 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.520 2.230 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.972 1.011 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.203 2.123 -0.514 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.305 4.816 0.134 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.709 6.171 -0.255 1.00 0.00 C ATOM 1128 C LEU A 70 -6.322 7.175 0.844 1.00 0.00 C ATOM 1129 O LEU A 70 -5.539 8.073 0.594 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.245 6.232 -0.544 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.837 7.651 -0.862 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.154 8.293 -2.080 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.370 7.609 -1.065 1.00 0.00 C ATOM 0 H LEU A 70 -7.080 4.154 0.165 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.184 6.439 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.461 5.575 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.772 5.827 0.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.632 8.272 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.592 9.274 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.088 8.403 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.298 7.658 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.736 8.612 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.609 6.947 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.847 7.238 -0.158 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.823 6.923 2.067 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.740 7.841 3.234 1.00 0.00 C ATOM 1147 C ASP A 71 -5.297 8.301 3.547 1.00 0.00 C ATOM 1148 O ASP A 71 -5.027 9.508 3.659 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.360 7.131 4.466 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.350 7.971 5.753 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.225 8.847 5.912 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.472 7.748 6.613 1.00 0.00 O ATOM 0 H ASP A 71 -7.311 6.054 2.284 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.296 8.746 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.389 6.857 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.817 6.204 4.647 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.399 7.319 3.700 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.969 7.552 3.965 1.00 0.00 C ATOM 1159 C ALA A 72 -2.318 8.346 2.818 1.00 0.00 C ATOM 1160 O ALA A 72 -1.611 9.340 3.049 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.274 6.196 4.158 1.00 0.00 C ATOM 0 H ALA A 72 -4.645 6.331 3.643 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.861 8.148 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.214 6.355 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.725 5.673 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.389 5.596 3.255 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.606 7.915 1.572 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.092 8.573 0.365 1.00 0.00 C ATOM 1169 C ALA A 73 -2.623 10.013 0.232 1.00 0.00 C ATOM 1170 O ALA A 73 -1.912 10.867 -0.302 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.427 7.743 -0.885 1.00 0.00 C ATOM 0 H ALA A 73 -3.198 7.106 1.381 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.008 8.637 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.038 8.246 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.972 6.756 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.508 7.638 -0.973 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.864 10.278 0.740 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.474 11.625 0.699 1.00 0.00 C ATOM 1179 C LYS A 74 -3.599 12.579 1.482 1.00 0.00 C ATOM 1180 O LYS A 74 -3.097 13.538 0.915 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.929 11.679 1.263 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.959 10.780 0.538 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.430 11.210 0.767 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.769 12.517 0.033 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.158 12.967 0.301 1.00 0.00 N ATOM 0 H LYS A 74 -4.453 9.571 1.180 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.542 11.909 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.903 11.396 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.279 12.710 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.749 10.791 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.833 9.752 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.097 10.419 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.608 11.337 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.071 13.296 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.636 12.375 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.342 13.851 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.827 12.236 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.280 13.129 1.321 1.00 0.00 H new ATOM 1199 N SER A 75 -3.356 12.223 2.758 1.00 0.00 N ATOM 1200 CA SER A 75 -2.585 13.040 3.701 1.00 0.00 C ATOM 1201 C SER A 75 -1.224 13.444 3.109 1.00 0.00 C ATOM 1202 O SER A 75 -0.865 14.615 3.130 1.00 0.00 O ATOM 1203 CB SER A 75 -2.396 12.268 5.029 1.00 0.00 C ATOM 1204 OG SER A 75 -3.635 11.769 5.515 1.00 0.00 O ATOM 0 H SER A 75 -3.695 11.350 3.162 1.00 0.00 H new ATOM 0 HA SER A 75 -3.141 13.957 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.703 11.441 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.948 12.926 5.774 1.00 0.00 H new ATOM 0 HG SER A 75 -3.486 11.284 6.354 1.00 0.00 H new ATOM 1210 N MET A 76 -0.525 12.461 2.510 1.00 0.00 N ATOM 1211 CA MET A 76 0.804 12.661 1.893 1.00 0.00 C ATOM 1212 C MET A 76 0.743 13.547 0.633 1.00 0.00 C ATOM 1213 O MET A 76 1.657 14.341 0.399 1.00 0.00 O ATOM 1214 CB MET A 76 1.464 11.291 1.607 1.00 0.00 C ATOM 1215 CG MET A 76 2.000 10.611 2.874 1.00 0.00 C ATOM 1216 SD MET A 76 0.760 10.516 4.177 1.00 0.00 S ATOM 1217 CE MET A 76 1.773 10.580 5.642 1.00 0.00 C ATOM 0 H MET A 76 -0.866 11.502 2.439 1.00 0.00 H new ATOM 0 HA MET A 76 1.427 13.203 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.736 10.635 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.282 11.428 0.900 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.342 9.606 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.867 11.161 3.240 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.341 9.940 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.779 10.234 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.819 11.606 6.008 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.334 13.425 -0.160 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.598 14.335 -1.300 1.00 0.00 C ATOM 1229 C HIS A 77 -0.794 15.791 -0.819 1.00 0.00 C ATOM 1230 O HIS A 77 -0.405 16.741 -1.512 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.828 13.852 -2.124 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.492 12.868 -3.216 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.421 13.227 -4.543 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.236 11.533 -3.184 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.139 12.168 -5.267 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -1.021 11.131 -4.472 1.00 0.00 N ATOM 0 H HIS A 77 -1.043 12.702 -0.036 1.00 0.00 H new ATOM 0 HA HIS A 77 0.275 14.314 -1.952 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.548 13.394 -1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.316 14.719 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.208 10.907 -2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.023 12.153 -6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.804 10.179 -4.768 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.391 15.940 0.377 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.637 17.250 1.006 1.00 0.00 C ATOM 1247 C GLU A 78 -0.348 17.806 1.653 1.00 0.00 C ATOM 1248 O GLU A 78 -0.235 19.017 1.865 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.758 17.118 2.069 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.019 16.385 1.574 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.714 17.076 0.389 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.184 18.221 0.553 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.778 16.494 -0.723 1.00 0.00 O ATOM 0 H GLU A 78 -1.718 15.152 0.936 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.954 17.951 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.361 16.588 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.041 18.115 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.747 15.371 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.726 16.301 2.399 1.00 0.00 H new ATOM 1260 N LEU A 79 0.598 16.899 2.002 1.00 0.00 N ATOM 1261 CA LEU A 79 1.926 17.285 2.548 1.00 0.00 C ATOM 1262 C LEU A 79 2.857 17.805 1.429 1.00 0.00 C ATOM 1263 O LEU A 79 3.750 18.621 1.691 1.00 0.00 O ATOM 1264 CB LEU A 79 2.615 16.092 3.278 1.00 0.00 C ATOM 1265 CG LEU A 79 1.818 15.436 4.449 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.626 14.315 5.134 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.313 16.480 5.476 1.00 0.00 C ATOM 0 H LEU A 79 0.466 15.891 1.915 1.00 0.00 H new ATOM 0 HA LEU A 79 1.751 18.083 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.833 15.320 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.572 16.438 3.669 1.00 0.00 H new ATOM 0 HG LEU A 79 0.935 14.978 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.037 13.884 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.863 13.540 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.550 14.728 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.765 15.973 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.164 17.011 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.655 17.192 4.978 1.00 0.00 H new ATOM 1279 N GLY A 80 2.630 17.336 0.184 1.00 0.00 N ATOM 1280 CA GLY A 80 3.439 17.750 -0.980 1.00 0.00 C ATOM 1281 C GLY A 80 3.936 16.580 -1.824 1.00 0.00 C ATOM 1282 O GLY A 80 4.465 16.789 -2.925 1.00 0.00 O ATOM 0 H GLY A 80 1.891 16.669 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.844 18.414 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.296 18.325 -0.630 1.00 0.00 H new ATOM 1286 N TYR A 81 3.785 15.345 -1.302 1.00 0.00 N ATOM 1287 CA TYR A 81 4.158 14.111 -2.027 1.00 0.00 C ATOM 1288 C TYR A 81 3.084 13.759 -3.081 1.00 0.00 C ATOM 1289 O TYR A 81 2.033 14.406 -3.152 1.00 0.00 O ATOM 1290 CB TYR A 81 4.317 12.921 -1.044 1.00 0.00 C ATOM 1291 CG TYR A 81 5.273 13.168 0.133 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.658 13.147 -0.039 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.782 13.415 1.417 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.514 13.359 1.028 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.633 13.625 2.480 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.997 13.597 2.282 1.00 0.00 C ATOM 1297 OH TYR A 81 7.853 13.809 3.343 1.00 0.00 O ATOM 0 H TYR A 81 3.403 15.175 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 81 5.111 14.292 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.335 12.666 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.670 12.054 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.069 12.962 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.715 13.442 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.583 13.338 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.233 13.811 3.466 1.00 0.00 H new ATOM 0 HH TYR A 81 7.986 12.968 3.829 1.00 0.00 H new ATOM 1307 N THR A 82 3.361 12.722 -3.892 1.00 0.00 N ATOM 1308 CA THR A 82 2.392 12.147 -4.848 1.00 0.00 C ATOM 1309 C THR A 82 2.573 10.602 -4.953 1.00 0.00 C ATOM 1310 O THR A 82 2.997 10.097 -6.000 1.00 0.00 O ATOM 1311 CB THR A 82 2.496 12.823 -6.276 1.00 0.00 C ATOM 1312 OG1 THR A 82 3.877 13.035 -6.612 1.00 0.00 O ATOM 1313 CG2 THR A 82 1.728 14.156 -6.378 1.00 0.00 C ATOM 0 H THR A 82 4.268 12.255 -3.904 1.00 0.00 H new ATOM 0 HA THR A 82 1.393 12.355 -4.464 1.00 0.00 H new ATOM 0 HB THR A 82 2.030 12.136 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.938 13.452 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.841 14.565 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.671 13.984 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.128 14.863 -5.651 1.00 0.00 H new ATOM 1321 N PRO A 83 2.293 9.816 -3.853 1.00 0.00 N ATOM 1322 CA PRO A 83 2.287 8.329 -3.920 1.00 0.00 C ATOM 1323 C PRO A 83 0.983 7.769 -4.538 1.00 0.00 C ATOM 1324 O PRO A 83 -0.055 8.439 -4.541 1.00 0.00 O ATOM 1325 CB PRO A 83 2.410 7.922 -2.432 1.00 0.00 C ATOM 1326 CG PRO A 83 1.691 9.013 -1.701 1.00 0.00 C ATOM 1327 CD PRO A 83 2.023 10.285 -2.458 1.00 0.00 C ATOM 0 HA PRO A 83 3.081 7.937 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.956 6.949 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.453 7.852 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.616 8.834 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.020 9.075 -0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.196 10.994 -2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.890 10.789 -2.031 1.00 0.00 H new ATOM 1335 N TYR A 84 1.060 6.535 -5.051 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.114 5.778 -5.533 1.00 0.00 C ATOM 1337 C TYR A 84 -0.780 5.035 -4.368 1.00 0.00 C ATOM 1338 O TYR A 84 -0.297 5.084 -3.226 1.00 0.00 O ATOM 1339 CB TYR A 84 0.306 4.770 -6.631 1.00 0.00 C ATOM 1340 CG TYR A 84 0.841 5.428 -7.908 1.00 0.00 C ATOM 1341 CD1 TYR A 84 -0.022 5.790 -8.945 1.00 0.00 C ATOM 1342 CD2 TYR A 84 2.203 5.692 -8.075 1.00 0.00 C ATOM 1343 CE1 TYR A 84 0.453 6.385 -10.095 1.00 0.00 C ATOM 1344 CE2 TYR A 84 2.676 6.289 -9.225 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.800 6.630 -10.229 1.00 0.00 C ATOM 1346 OH TYR A 84 2.278 7.213 -11.380 1.00 0.00 O ATOM 0 H TYR A 84 1.939 6.027 -5.146 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.828 6.483 -5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.071 4.107 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.552 4.148 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.080 5.601 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.896 5.424 -7.291 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.229 6.657 -10.887 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.732 6.488 -9.337 1.00 0.00 H new ATOM 0 HH TYR A 84 3.250 7.318 -11.314 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.893 4.352 -4.671 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.588 3.500 -3.707 1.00 0.00 C ATOM 1358 C TYR A 85 -3.348 2.381 -4.432 1.00 0.00 C ATOM 1359 O TYR A 85 -3.873 2.582 -5.536 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.525 4.327 -2.791 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.619 5.138 -3.503 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.341 6.392 -4.040 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.928 4.656 -3.619 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.313 7.129 -4.667 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.904 5.396 -4.248 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.590 6.635 -4.770 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.557 7.384 -5.406 1.00 0.00 O ATOM 0 H TYR A 85 -2.333 4.377 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.842 3.037 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.005 3.647 -2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.914 5.014 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.341 6.792 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.176 3.688 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.074 8.098 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.909 5.010 -4.333 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.131 8.111 -5.907 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.376 1.196 -3.799 1.00 0.00 N ATOM 1378 CA LEU A 86 -3.984 -0.014 -4.362 1.00 0.00 C ATOM 1379 C LEU A 86 -5.247 -0.367 -3.575 1.00 0.00 C ATOM 1380 O LEU A 86 -5.201 -0.616 -2.348 1.00 0.00 O ATOM 1381 CB LEU A 86 -2.948 -1.184 -4.346 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.332 -2.545 -5.044 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.222 -3.458 -4.169 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -3.974 -2.306 -6.417 1.00 0.00 C ATOM 0 H LEU A 86 -2.972 1.053 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.271 0.162 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.032 -0.821 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.711 -1.402 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.393 -3.081 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.447 -4.376 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.696 -3.702 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.151 -2.940 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.227 -3.264 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.879 -1.711 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.272 -1.773 -7.059 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.359 -0.392 -4.312 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.659 -0.833 -3.824 1.00 0.00 C ATOM 1398 C GLU A 87 -7.900 -2.282 -4.299 1.00 0.00 C ATOM 1399 O GLU A 87 -8.080 -2.528 -5.504 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.750 0.133 -4.349 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.556 1.600 -3.914 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.652 2.525 -4.455 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.795 2.443 -3.970 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.385 3.310 -5.384 1.00 0.00 O ATOM 0 H GLU A 87 -6.377 -0.098 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.694 -0.819 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.767 0.088 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.724 -0.212 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.545 1.654 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.584 1.952 -4.261 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.845 -3.230 -3.350 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.026 -4.652 -3.641 1.00 0.00 C ATOM 1413 C GLY A 88 -7.817 -5.516 -2.406 1.00 0.00 C ATOM 1414 O GLY A 88 -7.089 -5.121 -1.488 1.00 0.00 O ATOM 0 H GLY A 88 -7.674 -3.029 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.029 -4.817 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.325 -4.955 -4.419 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.436 -6.713 -2.402 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.417 -7.631 -1.246 1.00 0.00 C ATOM 1420 C ASN A 89 -7.046 -8.304 -1.092 1.00 0.00 C ATOM 1421 O ASN A 89 -6.582 -8.964 -2.017 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.525 -8.697 -1.368 1.00 0.00 C ATOM 1423 CG ASN A 89 -10.941 -8.124 -1.320 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.214 -7.023 -1.805 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.854 -8.867 -0.720 1.00 0.00 N ATOM 0 H ASN A 89 -8.963 -7.070 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.607 -7.036 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.394 -9.238 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.409 -9.422 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.816 -8.534 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.597 -9.773 -0.329 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.430 -8.155 0.105 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.056 -8.647 0.386 1.00 0.00 C ATOM 1434 C VAL A 90 -4.956 -10.188 0.248 1.00 0.00 C ATOM 1435 O VAL A 90 -3.914 -10.733 -0.126 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.533 -8.156 1.800 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.345 -8.755 2.969 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.022 -8.437 1.971 1.00 0.00 C ATOM 0 H VAL A 90 -6.868 -7.692 0.902 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.403 -8.212 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.682 -7.077 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.947 -8.387 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.390 -8.459 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.272 -9.842 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.696 -8.088 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.839 -9.508 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.464 -7.913 1.195 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.084 -10.859 0.500 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.211 -12.324 0.411 1.00 0.00 C ATOM 1450 C TYR A 91 -6.321 -12.758 -1.067 1.00 0.00 C ATOM 1451 O TYR A 91 -5.859 -13.841 -1.458 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.466 -12.772 1.206 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.610 -12.112 2.599 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.998 -12.648 3.732 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.359 -10.942 2.768 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.134 -12.048 4.972 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.490 -10.344 4.002 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.876 -10.898 5.099 1.00 0.00 C ATOM 1459 OH TYR A 91 -8.012 -10.300 6.328 1.00 0.00 O ATOM 0 H TYR A 91 -6.950 -10.396 0.776 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.327 -12.797 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.354 -12.546 0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.434 -13.854 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.407 -13.547 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.845 -10.498 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.658 -12.483 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.074 -9.442 4.107 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.278 -10.584 6.913 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.931 -11.869 -1.873 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.196 -12.101 -3.306 1.00 0.00 C ATOM 1471 C ASP A 92 -5.958 -11.835 -4.176 1.00 0.00 C ATOM 1472 O ASP A 92 -5.925 -12.287 -5.315 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.400 -11.243 -3.804 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.771 -11.828 -3.413 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.116 -11.807 -2.211 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.509 -12.309 -4.301 1.00 0.00 O ATOM 0 H ASP A 92 -7.257 -10.960 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.452 -13.156 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.313 -10.236 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.348 -11.152 -4.889 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.947 -11.112 -3.643 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.662 -10.884 -4.360 1.00 0.00 C ATOM 1483 C PHE A 93 -3.089 -12.216 -4.878 1.00 0.00 C ATOM 1484 O PHE A 93 -2.751 -12.362 -6.057 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.596 -10.229 -3.434 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.910 -8.830 -2.894 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.009 -8.100 -3.326 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.078 -8.240 -1.955 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.266 -6.831 -2.849 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.336 -6.976 -1.474 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.429 -6.269 -1.917 1.00 0.00 C ATOM 0 H PHE A 93 -4.991 -10.676 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.880 -10.213 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.432 -10.891 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.656 -10.177 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.679 -8.536 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.215 -8.780 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.123 -6.281 -3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.674 -6.536 -0.743 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.628 -5.279 -1.535 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.081 -13.193 -3.966 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.463 -14.494 -4.180 1.00 0.00 C ATOM 1503 C GLU A 94 -3.185 -15.286 -5.301 1.00 0.00 C ATOM 1504 O GLU A 94 -2.535 -15.775 -6.229 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.447 -15.277 -2.840 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.457 -16.454 -2.805 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.493 -17.271 -1.498 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.607 -17.627 -1.034 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.416 -17.554 -0.925 1.00 0.00 O ATOM 0 H GLU A 94 -3.512 -13.095 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.436 -14.352 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.201 -14.587 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.450 -15.655 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.671 -17.119 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.448 -16.070 -2.953 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.534 -15.368 -5.229 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.349 -16.114 -6.231 1.00 0.00 C ATOM 1518 C LYS A 95 -5.378 -15.404 -7.606 1.00 0.00 C ATOM 1519 O LYS A 95 -5.576 -16.061 -8.633 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.799 -16.377 -5.714 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.567 -15.112 -5.290 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.053 -15.364 -4.922 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.930 -15.719 -6.141 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.381 -15.752 -5.795 1.00 0.00 N ATOM 0 H LYS A 95 -5.085 -14.930 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.860 -17.078 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.364 -16.884 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.750 -17.058 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.063 -14.665 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.523 -14.385 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.108 -16.174 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.457 -14.474 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.763 -14.989 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.629 -16.690 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.934 -15.994 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.546 -16.467 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.676 -14.818 -5.444 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.186 -14.062 -7.622 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.067 -13.281 -8.881 1.00 0.00 C ATOM 1540 C TYR A 96 -3.737 -13.613 -9.601 1.00 0.00 C ATOM 1541 O TYR A 96 -3.663 -13.555 -10.834 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.198 -11.746 -8.617 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.648 -11.204 -8.579 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.602 -11.736 -7.708 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.059 -10.164 -9.424 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.895 -11.251 -7.671 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.353 -9.677 -9.387 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.267 -10.226 -8.512 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.553 -9.741 -8.466 1.00 0.00 O ATOM 0 H TYR A 96 -5.110 -13.496 -6.777 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.891 -13.568 -9.534 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.716 -11.515 -7.667 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.648 -11.212 -9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.322 -12.545 -7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.351 -9.734 -10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.613 -11.675 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.647 -8.869 -10.041 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.654 -9.019 -9.121 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.696 -13.959 -8.817 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.414 -14.443 -9.367 1.00 0.00 C ATOM 1561 C GLY A 97 -0.204 -13.691 -8.830 1.00 0.00 C ATOM 1562 O GLY A 97 0.908 -13.846 -9.353 1.00 0.00 O ATOM 0 H GLY A 97 -2.719 -13.912 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.305 -15.503 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.436 -14.353 -10.453 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.415 -12.881 -7.787 1.00 0.00 N ATOM 1567 CA PHE A 98 0.649 -12.086 -7.149 1.00 0.00 C ATOM 1568 C PHE A 98 1.256 -12.873 -5.979 1.00 0.00 C ATOM 1569 O PHE A 98 0.535 -13.582 -5.265 1.00 0.00 O ATOM 1570 CB PHE A 98 0.084 -10.729 -6.664 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.568 -9.914 -7.784 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.215 -9.192 -8.680 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.951 -9.896 -7.955 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.362 -8.467 -9.698 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.528 -9.169 -8.976 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.735 -8.461 -9.851 1.00 0.00 C ATOM 0 H PHE A 98 -1.331 -12.755 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 98 1.434 -11.887 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.650 -10.908 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.890 -10.145 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.290 -9.201 -8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.579 -10.458 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.259 -7.902 -10.378 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.602 -9.155 -9.089 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.186 -7.901 -10.657 1.00 0.00 H new ATOM 1586 N ARG A 99 2.587 -12.760 -5.816 1.00 0.00 N ATOM 1587 CA ARG A 99 3.333 -13.402 -4.719 1.00 0.00 C ATOM 1588 C ARG A 99 2.929 -12.779 -3.365 1.00 0.00 C ATOM 1589 O ARG A 99 2.889 -11.554 -3.217 1.00 0.00 O ATOM 1590 CB ARG A 99 4.864 -13.284 -4.984 1.00 0.00 C ATOM 1591 CG ARG A 99 5.797 -13.581 -3.785 1.00 0.00 C ATOM 1592 CD ARG A 99 5.722 -15.010 -3.255 1.00 0.00 C ATOM 1593 NE ARG A 99 6.552 -15.184 -2.051 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.330 -16.082 -1.079 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.298 -16.917 -1.141 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.133 -16.121 -0.029 1.00 0.00 N ATOM 0 H ARG A 99 3.178 -12.217 -6.446 1.00 0.00 H new ATOM 0 HA ARG A 99 3.084 -14.462 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.123 -13.965 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.072 -12.274 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.825 -13.372 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.553 -12.894 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.686 -15.259 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.051 -15.704 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 99 7.361 -14.572 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.660 -16.881 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.144 -17.594 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.916 -15.471 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.969 -16.801 0.713 1.00 0.00 H new ATOM 1610 N MET A 100 2.626 -13.663 -2.403 1.00 0.00 N ATOM 1611 CA MET A 100 2.137 -13.315 -1.054 1.00 0.00 C ATOM 1612 C MET A 100 2.832 -14.185 0.003 1.00 0.00 C ATOM 1613 O MET A 100 3.116 -15.363 -0.237 1.00 0.00 O ATOM 1614 CB MET A 100 0.600 -13.494 -0.965 1.00 0.00 C ATOM 1615 CG MET A 100 -0.198 -12.379 -1.635 1.00 0.00 C ATOM 1616 SD MET A 100 -0.002 -10.791 -0.799 1.00 0.00 S ATOM 1617 CE MET A 100 -0.718 -11.143 0.805 1.00 0.00 C ATOM 0 H MET A 100 2.716 -14.669 -2.543 1.00 0.00 H new ATOM 0 HA MET A 100 2.374 -12.268 -0.863 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.329 -14.445 -1.423 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.312 -13.552 0.085 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.121 -12.281 -2.673 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.254 -12.650 -1.650 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.797 -10.220 1.379 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.710 -11.574 0.674 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.083 -11.850 1.340 1.00 0.00 H new ATOM 1627 N VAL A 101 3.082 -13.587 1.177 1.00 0.00 N ATOM 1628 CA VAL A 101 3.769 -14.241 2.311 1.00 0.00 C ATOM 1629 C VAL A 101 2.795 -14.318 3.503 1.00 0.00 C ATOM 1630 O VAL A 101 2.281 -13.286 3.939 1.00 0.00 O ATOM 1631 CB VAL A 101 5.061 -13.442 2.739 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.880 -14.230 3.785 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.933 -13.071 1.515 1.00 0.00 C ATOM 0 H VAL A 101 2.811 -12.623 1.373 1.00 0.00 H new ATOM 0 HA VAL A 101 4.078 -15.240 2.003 1.00 0.00 H new ATOM 0 HB VAL A 101 4.731 -12.511 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.764 -13.656 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.268 -14.404 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.186 -15.187 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.813 -12.522 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.245 -13.980 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.355 -12.449 0.832 1.00 0.00 H new ATOM 1643 N TYR A 102 2.535 -15.537 4.006 1.00 0.00 N ATOM 1644 CA TYR A 102 1.587 -15.782 5.122 1.00 0.00 C ATOM 1645 C TYR A 102 2.333 -16.203 6.399 1.00 0.00 C ATOM 1646 O TYR A 102 3.447 -16.735 6.325 1.00 0.00 O ATOM 1647 CB TYR A 102 0.559 -16.886 4.731 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.541 -16.433 3.751 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.228 -15.948 2.478 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.896 -16.506 4.096 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.211 -15.553 1.600 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.882 -16.107 3.216 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.534 -15.640 1.967 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.518 -15.258 1.076 1.00 0.00 O ATOM 0 H TYR A 102 2.975 -16.387 3.653 1.00 0.00 H new ATOM 0 HA TYR A 102 1.058 -14.850 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.098 -17.723 4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.085 -17.258 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.807 -15.882 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.175 -16.882 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.944 -15.175 0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.921 -16.161 3.505 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.474 -15.824 0.277 1.00 0.00 H new ATOM 1664 N ASP A 103 1.678 -15.970 7.554 1.00 0.00 N ATOM 1665 CA ASP A 103 2.135 -16.437 8.879 1.00 0.00 C ATOM 1666 C ASP A 103 3.530 -15.866 9.216 1.00 0.00 C ATOM 1667 O ASP A 103 4.510 -16.595 9.378 1.00 0.00 O ATOM 1668 CB ASP A 103 2.073 -17.997 8.949 1.00 0.00 C ATOM 1669 CG ASP A 103 2.370 -18.580 10.340 1.00 0.00 C ATOM 1670 OD1 ASP A 103 1.589 -18.306 11.277 1.00 0.00 O ATOM 1671 OD2 ASP A 103 3.368 -19.327 10.499 1.00 0.00 O ATOM 0 H ASP A 103 0.804 -15.445 7.594 1.00 0.00 H new ATOM 0 HA ASP A 103 1.462 -16.058 9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.082 -18.324 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.786 -18.410 8.235 1.00 0.00 H new ATOM 1676 N ASP A 104 3.603 -14.534 9.267 1.00 0.00 N ATOM 1677 CA ASP A 104 4.834 -13.784 9.584 1.00 0.00 C ATOM 1678 C ASP A 104 4.861 -13.352 11.060 1.00 0.00 C ATOM 1679 O ASP A 104 5.552 -12.395 11.433 1.00 0.00 O ATOM 1680 CB ASP A 104 4.950 -12.572 8.629 1.00 0.00 C ATOM 1681 CG ASP A 104 5.161 -13.001 7.188 1.00 0.00 C ATOM 1682 OD1 ASP A 104 6.331 -13.225 6.803 1.00 0.00 O ATOM 1683 OD2 ASP A 104 4.162 -13.144 6.443 1.00 0.00 O ATOM 0 H ASP A 104 2.800 -13.931 9.087 1.00 0.00 H new ATOM 0 HA ASP A 104 5.698 -14.432 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.045 -11.968 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.780 -11.940 8.944 1.00 0.00 H new ATOM 1688 N THR A 105 4.173 -14.140 11.912 1.00 0.00 N ATOM 1689 CA THR A 105 4.115 -13.917 13.365 1.00 0.00 C ATOM 1690 C THR A 105 5.390 -14.431 14.094 1.00 0.00 C ATOM 1691 O THR A 105 5.428 -14.490 15.333 1.00 0.00 O ATOM 1692 CB THR A 105 2.800 -14.541 13.966 1.00 0.00 C ATOM 1693 OG1 THR A 105 2.659 -14.174 15.346 1.00 0.00 O ATOM 1694 CG2 THR A 105 2.742 -16.072 13.818 1.00 0.00 C ATOM 0 H THR A 105 3.640 -14.954 11.605 1.00 0.00 H new ATOM 0 HA THR A 105 4.086 -12.841 13.534 1.00 0.00 H new ATOM 0 HB THR A 105 1.969 -14.134 13.391 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.546 -14.042 15.742 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.813 -16.444 14.250 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.782 -16.337 12.762 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.589 -16.520 14.337 1.00 0.00 H new ATOM 1702 N CYS A 106 6.425 -14.794 13.301 1.00 0.00 N ATOM 1703 CA CYS A 106 7.794 -15.065 13.784 1.00 0.00 C ATOM 1704 C CYS A 106 7.847 -16.332 14.678 1.00 0.00 C ATOM 1705 O CYS A 106 7.261 -17.353 14.296 1.00 0.00 O ATOM 1706 CB CYS A 106 8.370 -13.791 14.458 1.00 0.00 C ATOM 1707 SG CYS A 106 8.260 -12.304 13.429 1.00 0.00 S ATOM 0 H CYS A 106 6.328 -14.908 12.292 1.00 0.00 H new ATOM 0 HA CYS A 106 8.440 -15.297 12.938 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.838 -13.614 15.393 1.00 0.00 H new ATOM 0 HB3 CYS A 106 9.415 -13.968 14.714 1.00 0.00 H new ATOM 0 HG CYS A 106 7.205 -12.377 12.672 1.00 0.00 H new ATOM 1713 N ASP A 107 8.557 -16.279 15.830 1.00 0.00 N ATOM 1714 CA ASP A 107 8.672 -17.415 16.766 1.00 0.00 C ATOM 1715 C ASP A 107 7.281 -17.853 17.275 1.00 0.00 C ATOM 1716 O ASP A 107 6.609 -17.111 18.000 1.00 0.00 O ATOM 1717 CB ASP A 107 9.584 -17.036 17.960 1.00 0.00 C ATOM 1718 CG ASP A 107 11.022 -16.701 17.536 1.00 0.00 C ATOM 1719 OD1 ASP A 107 11.266 -15.562 17.077 1.00 0.00 O ATOM 1720 OD2 ASP A 107 11.916 -17.574 17.642 1.00 0.00 O ATOM 0 H ASP A 107 9.064 -15.448 16.133 1.00 0.00 H new ATOM 0 HA ASP A 107 9.119 -18.253 16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.155 -16.179 18.479 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.604 -17.862 18.671 1.00 0.00 H new ATOM 1725 N LYS A 108 6.856 -19.046 16.834 1.00 0.00 N ATOM 1726 CA LYS A 108 5.564 -19.658 17.188 1.00 0.00 C ATOM 1727 C LYS A 108 5.787 -20.867 18.126 1.00 0.00 C ATOM 1728 O LYS A 108 5.044 -21.049 19.097 1.00 0.00 O ATOM 1729 CB LYS A 108 4.836 -20.109 15.887 1.00 0.00 C ATOM 1730 CG LYS A 108 3.513 -20.890 16.105 1.00 0.00 C ATOM 1731 CD LYS A 108 2.933 -21.476 14.793 1.00 0.00 C ATOM 1732 CE LYS A 108 2.471 -20.404 13.799 1.00 0.00 C ATOM 1733 NZ LYS A 108 1.971 -21.002 12.535 1.00 0.00 N ATOM 0 H LYS A 108 7.413 -19.627 16.207 1.00 0.00 H new ATOM 0 HA LYS A 108 4.947 -18.927 17.711 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.622 -19.226 15.285 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.516 -20.733 15.307 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.688 -21.701 16.812 1.00 0.00 H new ATOM 0 HG3 LYS A 108 2.776 -20.226 16.557 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.689 -22.100 14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.091 -22.124 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.683 -19.803 14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.300 -19.731 13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.604 -20.740 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.944 -22.038 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.013 -20.647 12.338 1.00 0.00 H new ATOM 1747 N LYS A 109 6.828 -21.682 17.805 1.00 0.00 N ATOM 1748 CA LYS A 109 7.155 -22.956 18.504 1.00 0.00 C ATOM 1749 C LYS A 109 6.031 -24.014 18.304 1.00 0.00 C ATOM 1750 O LYS A 109 5.106 -23.821 17.505 1.00 0.00 O ATOM 1751 CB LYS A 109 7.464 -22.748 20.033 1.00 0.00 C ATOM 1752 CG LYS A 109 8.817 -22.087 20.371 1.00 0.00 C ATOM 1753 CD LYS A 109 8.899 -20.588 19.999 1.00 0.00 C ATOM 1754 CE LYS A 109 10.148 -19.907 20.578 1.00 0.00 C ATOM 1755 NZ LYS A 109 11.415 -20.510 20.080 1.00 0.00 N ATOM 0 H LYS A 109 7.472 -21.470 17.043 1.00 0.00 H new ATOM 0 HA LYS A 109 8.069 -23.333 18.046 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.669 -22.140 20.464 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.425 -23.719 20.526 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.005 -22.196 21.439 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.611 -22.623 19.851 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.903 -20.486 18.914 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.008 -20.077 20.364 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.130 -18.847 20.323 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.122 -19.974 21.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.225 -20.013 20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.449 -21.515 20.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.457 -20.424 19.044 1.00 0.00 H new ATOM 1769 N ASN A 110 6.164 -25.152 19.011 1.00 0.00 N ATOM 1770 CA ASN A 110 5.152 -26.228 19.050 1.00 0.00 C ATOM 1771 C ASN A 110 5.143 -26.874 20.461 1.00 0.00 C ATOM 1772 O ASN A 110 6.237 -27.064 21.048 1.00 0.00 O ATOM 1773 CB ASN A 110 5.395 -27.294 17.935 1.00 0.00 C ATOM 1774 CG ASN A 110 6.713 -28.068 18.074 1.00 0.00 C ATOM 1775 OD1 ASN A 110 7.760 -27.642 17.577 1.00 0.00 O ATOM 1776 ND2 ASN A 110 6.671 -29.212 18.741 1.00 0.00 N ATOM 1777 OXT ASN A 110 4.049 -27.159 20.991 1.00 0.00 O ATOM 0 H ASN A 110 6.987 -25.354 19.579 1.00 0.00 H new ATOM 0 HA ASN A 110 4.172 -25.793 18.852 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.568 -28.004 17.942 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.380 -26.797 16.965 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.519 -29.767 18.855 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.791 -29.538 19.140 1.00 0.00 H new TER 1784 ASN A 110