USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot -23:sc= 0.0465 USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= 0.983 USER MOD Set 1.4: A 101 ASN : amide:sc= 0.77 K(o=1.8,f=0.2) USER MOD Set 2.1: A 26 THR OG1 : rot -69:sc= 1.2 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.00499 (180deg=0.00298) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 5 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 13 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.56) USER MOD Single : A 17 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.936 K(o=-0.94,f=-3.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -145:sc= 0.12 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.434 K(o=0.43,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 39 MET CE :methyl -120:sc= -1.81 (180deg=-2.8) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 43 THR OG1 : rot 72:sc= 0.0977 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0496) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.707 USER MOD Single : A 59 ASN : amide:sc= 1.11 K(o=1.1,f=-0.069) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.979 K(o=-0.98,f=-2.9) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0.432 (180deg=0.396) USER MOD Single : A 82 HIS : no HD1:sc=-0.000121 X(o=-0.00012,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 1.43 (180deg=0.928) USER MOD Single : A 88 HIS : no HD1:sc= -0.436 K(o=-0.44,f=-5!) USER MOD Single : A 90 ASN : amide:sc= 0.0962 K(o=0.096,f=-0.62) USER MOD Single : A 91 GLN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.107) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc=-0.00473 (180deg=-0.11) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -109:sc= 0.747 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 42:sc= 0.278 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.164 -21.460 -6.713 1.00 0.00 N ATOM 2 CA MET A 1 -14.914 -20.027 -6.523 1.00 0.00 C ATOM 3 C MET A 1 -15.731 -19.533 -5.342 1.00 0.00 C ATOM 4 O MET A 1 -16.920 -19.222 -5.465 1.00 0.00 O ATOM 5 CB MET A 1 -15.144 -19.206 -7.804 1.00 0.00 C ATOM 6 CG MET A 1 -13.791 -18.823 -8.406 1.00 0.00 C ATOM 7 SD MET A 1 -12.692 -20.222 -8.750 1.00 0.00 S ATOM 8 CE MET A 1 -11.083 -19.409 -8.526 1.00 0.00 C ATOM 0 H1 MET A 1 -14.521 -21.831 -7.442 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.000 -21.963 -5.818 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.149 -21.604 -7.015 1.00 0.00 H new ATOM 0 HA MET A 1 -13.858 -19.882 -6.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.724 -19.785 -8.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.721 -18.310 -7.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.963 -18.277 -9.334 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.285 -18.140 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.284 -20.129 -8.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.990 -18.585 -9.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.008 -19.024 -7.509 1.00 0.00 H new ATOM 18 N TYR A 2 -15.105 -19.477 -4.175 1.00 0.00 N ATOM 19 CA TYR A 2 -15.629 -18.940 -2.938 1.00 0.00 C ATOM 20 C TYR A 2 -14.412 -18.504 -2.134 1.00 0.00 C ATOM 21 O TYR A 2 -13.414 -19.215 -2.051 1.00 0.00 O ATOM 22 CB TYR A 2 -16.442 -20.016 -2.208 1.00 0.00 C ATOM 23 CG TYR A 2 -16.747 -19.708 -0.755 1.00 0.00 C ATOM 24 CD1 TYR A 2 -15.771 -19.978 0.224 1.00 0.00 C ATOM 25 CD2 TYR A 2 -18.010 -19.216 -0.368 1.00 0.00 C ATOM 26 CE1 TYR A 2 -16.052 -19.762 1.580 1.00 0.00 C ATOM 27 CE2 TYR A 2 -18.301 -19.021 0.995 1.00 0.00 C ATOM 28 CZ TYR A 2 -17.326 -19.310 1.976 1.00 0.00 C ATOM 29 OH TYR A 2 -17.611 -19.158 3.296 1.00 0.00 O ATOM 0 H TYR A 2 -14.154 -19.830 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 2 -16.304 -18.099 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -17.383 -20.163 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -15.897 -20.959 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -14.802 -20.353 -0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -18.754 -18.989 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -15.290 -19.943 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -19.271 -18.650 1.292 1.00 0.00 H new ATOM 0 HH TYR A 2 -18.532 -18.838 3.397 1.00 0.00 H new ATOM 39 N THR A 3 -14.465 -17.314 -1.552 1.00 0.00 N ATOM 40 CA THR A 3 -13.408 -16.725 -0.728 1.00 0.00 C ATOM 41 C THR A 3 -14.095 -15.860 0.349 1.00 0.00 C ATOM 42 O THR A 3 -13.612 -14.801 0.748 1.00 0.00 O ATOM 43 CB THR A 3 -12.427 -16.028 -1.690 1.00 0.00 C ATOM 44 OG1 THR A 3 -11.832 -17.021 -2.512 1.00 0.00 O ATOM 45 CG2 THR A 3 -11.262 -15.258 -1.066 1.00 0.00 C ATOM 0 H THR A 3 -15.278 -16.704 -1.642 1.00 0.00 H new ATOM 0 HA THR A 3 -12.796 -17.429 -0.164 1.00 0.00 H new ATOM 0 HB THR A 3 -13.045 -15.292 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.204 -16.598 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.652 -14.818 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.651 -14.467 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.652 -15.939 -0.473 1.00 0.00 H new ATOM 53 N GLU A 4 -15.257 -16.356 0.789 1.00 0.00 N ATOM 54 CA GLU A 4 -16.110 -15.895 1.881 1.00 0.00 C ATOM 55 C GLU A 4 -16.420 -14.403 1.838 1.00 0.00 C ATOM 56 O GLU A 4 -16.306 -13.763 0.788 1.00 0.00 O ATOM 57 CB GLU A 4 -15.625 -16.481 3.224 1.00 0.00 C ATOM 58 CG GLU A 4 -14.448 -15.799 3.939 1.00 0.00 C ATOM 59 CD GLU A 4 -13.692 -16.828 4.771 1.00 0.00 C ATOM 60 OE1 GLU A 4 -14.187 -17.200 5.871 1.00 0.00 O ATOM 61 OE2 GLU A 4 -12.635 -17.308 4.317 1.00 0.00 O ATOM 0 H GLU A 4 -15.662 -17.177 0.339 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.111 -16.303 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.472 -16.484 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.350 -17.522 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.779 -15.344 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.814 -14.996 4.579 1.00 0.00 H new ATOM 68 N GLN A 5 -16.928 -13.857 2.939 1.00 0.00 N ATOM 69 CA GLN A 5 -16.939 -12.418 3.117 1.00 0.00 C ATOM 70 C GLN A 5 -15.469 -11.977 3.224 1.00 0.00 C ATOM 71 O GLN A 5 -14.690 -12.600 3.956 1.00 0.00 O ATOM 72 CB GLN A 5 -17.737 -12.038 4.366 1.00 0.00 C ATOM 73 CG GLN A 5 -17.974 -10.527 4.448 1.00 0.00 C ATOM 74 CD GLN A 5 -18.762 -10.056 5.667 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.460 -9.053 5.578 1.00 0.00 O ATOM 76 NE2 GLN A 5 -18.647 -10.689 6.823 1.00 0.00 N ATOM 0 H GLN A 5 -17.332 -14.387 3.711 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.424 -11.916 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.696 -12.557 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.202 -12.371 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.007 -10.023 4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.503 -10.209 3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.065 -11.524 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.141 -10.342 7.646 1.00 0.00 H new ATOM 85 N PRO A 6 -15.044 -10.930 2.508 1.00 0.00 N ATOM 86 CA PRO A 6 -13.682 -10.441 2.589 1.00 0.00 C ATOM 87 C PRO A 6 -13.413 -9.803 3.941 1.00 0.00 C ATOM 88 O PRO A 6 -14.318 -9.619 4.759 1.00 0.00 O ATOM 89 CB PRO A 6 -13.550 -9.502 1.396 1.00 0.00 C ATOM 90 CG PRO A 6 -14.945 -8.878 1.309 1.00 0.00 C ATOM 91 CD PRO A 6 -15.853 -10.056 1.680 1.00 0.00 C ATOM 0 HA PRO A 6 -12.925 -11.223 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.778 -8.749 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.288 -10.039 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.061 -8.042 1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.159 -8.498 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.737 -9.714 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.204 -10.576 0.788 1.00 0.00 H new ATOM 99 N ILE A 7 -12.142 -9.483 4.172 1.00 0.00 N ATOM 100 CA ILE A 7 -11.690 -8.837 5.387 1.00 0.00 C ATOM 101 C ILE A 7 -12.108 -7.374 5.299 1.00 0.00 C ATOM 102 O ILE A 7 -11.298 -6.516 4.980 1.00 0.00 O ATOM 103 CB ILE A 7 -10.174 -9.053 5.627 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.744 -10.541 5.611 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.763 -8.465 6.988 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.241 -10.713 5.349 1.00 0.00 C ATOM 0 H ILE A 7 -11.392 -9.671 3.507 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.155 -9.281 6.267 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.676 -8.548 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.998 -11.000 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.307 -11.071 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.696 -8.623 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.978 -7.396 7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.324 -8.959 7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.991 -11.774 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.988 -10.279 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.675 -10.208 6.132 1.00 0.00 H new ATOM 118 N ASP A 8 -13.397 -7.113 5.516 1.00 0.00 N ATOM 119 CA ASP A 8 -14.082 -5.820 5.516 1.00 0.00 C ATOM 120 C ASP A 8 -13.763 -4.945 4.300 1.00 0.00 C ATOM 121 O ASP A 8 -13.924 -3.722 4.335 1.00 0.00 O ATOM 122 CB ASP A 8 -13.865 -5.135 6.874 1.00 0.00 C ATOM 123 CG ASP A 8 -15.126 -5.254 7.719 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.148 -4.606 7.403 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.069 -6.015 8.714 1.00 0.00 O ATOM 0 H ASP A 8 -14.049 -7.872 5.715 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.151 -5.995 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.024 -5.594 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.613 -4.085 6.726 1.00 0.00 H new ATOM 130 N LEU A 9 -13.270 -5.577 3.229 1.00 0.00 N ATOM 131 CA LEU A 9 -12.600 -4.901 2.139 1.00 0.00 C ATOM 132 C LEU A 9 -13.609 -4.188 1.269 1.00 0.00 C ATOM 133 O LEU A 9 -14.671 -4.711 0.917 1.00 0.00 O ATOM 134 CB LEU A 9 -11.807 -5.872 1.259 1.00 0.00 C ATOM 135 CG LEU A 9 -10.358 -6.154 1.690 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.730 -6.932 0.539 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.502 -4.904 1.933 1.00 0.00 C ATOM 0 H LEU A 9 -13.332 -6.587 3.104 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.907 -4.190 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.344 -6.820 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.791 -5.478 0.243 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.388 -6.684 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.693 -7.166 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.284 -7.857 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.763 -6.329 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.498 -5.203 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.447 -4.317 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.952 -4.303 2.723 1.00 0.00 H new ATOM 149 N VAL A 10 -13.208 -2.996 0.868 1.00 0.00 N ATOM 150 CA VAL A 10 -14.065 -2.028 0.225 1.00 0.00 C ATOM 151 C VAL A 10 -13.220 -1.276 -0.804 1.00 0.00 C ATOM 152 O VAL A 10 -12.176 -0.711 -0.456 1.00 0.00 O ATOM 153 CB VAL A 10 -14.784 -1.161 1.266 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.937 -1.934 1.910 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.877 -0.705 2.398 1.00 0.00 C ATOM 0 H VAL A 10 -12.249 -2.669 0.986 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.884 -2.496 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.137 -0.289 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.434 -1.301 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.652 -2.227 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.547 -2.825 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.448 -0.096 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.476 -1.576 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.055 -0.115 1.991 1.00 0.00 H new ATOM 165 N PRO A 11 -13.580 -1.356 -2.096 1.00 0.00 N ATOM 166 CA PRO A 11 -12.853 -0.672 -3.139 1.00 0.00 C ATOM 167 C PRO A 11 -13.021 0.832 -2.954 1.00 0.00 C ATOM 168 O PRO A 11 -14.135 1.314 -2.732 1.00 0.00 O ATOM 169 CB PRO A 11 -13.416 -1.174 -4.459 1.00 0.00 C ATOM 170 CG PRO A 11 -14.776 -1.793 -4.129 1.00 0.00 C ATOM 171 CD PRO A 11 -14.756 -2.026 -2.621 1.00 0.00 C ATOM 0 HA PRO A 11 -11.782 -0.871 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.522 -0.358 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.752 -1.910 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.591 -1.127 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.925 -2.728 -4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.661 -1.632 -2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.723 -3.092 -2.397 1.00 0.00 H new ATOM 179 N THR A 12 -11.921 1.568 -3.081 1.00 0.00 N ATOM 180 CA THR A 12 -11.886 3.020 -3.036 1.00 0.00 C ATOM 181 C THR A 12 -11.000 3.488 -4.204 1.00 0.00 C ATOM 182 O THR A 12 -10.583 2.673 -5.034 1.00 0.00 O ATOM 183 CB THR A 12 -11.471 3.503 -1.634 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.713 4.889 -1.482 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.000 3.222 -1.297 1.00 0.00 C ATOM 0 H THR A 12 -11.000 1.153 -3.223 1.00 0.00 H new ATOM 0 HA THR A 12 -12.866 3.475 -3.180 1.00 0.00 H new ATOM 0 HB THR A 12 -12.086 2.929 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.443 5.172 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.780 3.589 -0.295 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.816 2.148 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.358 3.728 -2.018 1.00 0.00 H new ATOM 193 N GLN A 13 -10.726 4.788 -4.299 1.00 0.00 N ATOM 194 CA GLN A 13 -9.950 5.392 -5.380 1.00 0.00 C ATOM 195 C GLN A 13 -9.180 6.615 -4.861 1.00 0.00 C ATOM 196 O GLN A 13 -9.388 7.033 -3.715 1.00 0.00 O ATOM 197 CB GLN A 13 -10.891 5.705 -6.569 1.00 0.00 C ATOM 198 CG GLN A 13 -10.678 4.735 -7.747 1.00 0.00 C ATOM 199 CD GLN A 13 -11.949 4.469 -8.548 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.598 3.444 -8.374 1.00 0.00 O ATOM 201 NE2 GLN A 13 -12.328 5.332 -9.480 1.00 0.00 N ATOM 0 H GLN A 13 -11.046 5.467 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.194 4.698 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.927 5.648 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.721 6.727 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.917 5.144 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.293 3.789 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.793 6.187 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.155 5.141 -10.046 1.00 0.00 H new ATOM 210 N PRO A 14 -8.271 7.182 -5.673 1.00 0.00 N ATOM 211 CA PRO A 14 -7.447 8.296 -5.257 1.00 0.00 C ATOM 212 C PRO A 14 -8.268 9.584 -5.264 1.00 0.00 C ATOM 213 O PRO A 14 -9.278 9.721 -5.970 1.00 0.00 O ATOM 214 CB PRO A 14 -6.288 8.333 -6.253 1.00 0.00 C ATOM 215 CG PRO A 14 -6.873 7.747 -7.539 1.00 0.00 C ATOM 216 CD PRO A 14 -8.029 6.854 -7.070 1.00 0.00 C ATOM 0 HA PRO A 14 -7.071 8.191 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.929 9.351 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.441 7.746 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.226 8.533 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.127 7.173 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.922 7.031 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.774 5.800 -7.181 1.00 0.00 H new ATOM 224 N LEU A 15 -7.799 10.540 -4.472 1.00 0.00 N ATOM 225 CA LEU A 15 -8.335 11.890 -4.408 1.00 0.00 C ATOM 226 C LEU A 15 -8.088 12.583 -5.750 1.00 0.00 C ATOM 227 O LEU A 15 -7.127 12.253 -6.455 1.00 0.00 O ATOM 228 CB LEU A 15 -7.630 12.649 -3.270 1.00 0.00 C ATOM 229 CG LEU A 15 -8.063 12.355 -1.812 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.819 13.558 -1.253 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.914 11.092 -1.603 1.00 0.00 C ATOM 0 H LEU A 15 -7.013 10.391 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.407 11.871 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.562 12.446 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.765 13.716 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.131 12.166 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.124 13.351 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.171 14.435 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.702 13.748 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.157 10.988 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.835 11.174 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.354 10.217 -1.934 1.00 0.00 H new ATOM 243 N PRO A 16 -8.907 13.587 -6.086 1.00 0.00 N ATOM 244 CA PRO A 16 -8.666 14.425 -7.240 1.00 0.00 C ATOM 245 C PRO A 16 -7.380 15.205 -6.986 1.00 0.00 C ATOM 246 O PRO A 16 -7.073 15.561 -5.844 1.00 0.00 O ATOM 247 CB PRO A 16 -9.901 15.324 -7.349 1.00 0.00 C ATOM 248 CG PRO A 16 -10.380 15.436 -5.901 1.00 0.00 C ATOM 249 CD PRO A 16 -10.011 14.095 -5.290 1.00 0.00 C ATOM 0 HA PRO A 16 -8.530 13.882 -8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.653 16.299 -7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.663 14.885 -7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.891 16.260 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.453 15.617 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.720 14.208 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.858 13.409 -5.313 1.00 0.00 H new ATOM 257 N ASN A 17 -6.652 15.552 -8.048 1.00 0.00 N ATOM 258 CA ASN A 17 -5.439 16.379 -8.006 1.00 0.00 C ATOM 259 C ASN A 17 -4.291 15.751 -7.200 1.00 0.00 C ATOM 260 O ASN A 17 -3.265 16.410 -7.008 1.00 0.00 O ATOM 261 CB ASN A 17 -5.694 17.799 -7.458 1.00 0.00 C ATOM 262 CG ASN A 17 -7.086 18.381 -7.631 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.372 19.117 -8.569 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.973 18.090 -6.693 1.00 0.00 N ATOM 0 H ASN A 17 -6.896 15.257 -8.993 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.139 16.442 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.462 17.795 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.985 18.476 -7.936 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.914 18.480 -6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.716 17.476 -5.921 1.00 0.00 H new ATOM 271 N ALA A 18 -4.479 14.543 -6.656 1.00 0.00 N ATOM 272 CA ALA A 18 -3.564 13.936 -5.692 1.00 0.00 C ATOM 273 C ALA A 18 -2.152 13.828 -6.266 1.00 0.00 C ATOM 274 O ALA A 18 -1.972 13.577 -7.465 1.00 0.00 O ATOM 275 CB ALA A 18 -4.067 12.550 -5.278 1.00 0.00 C ATOM 0 H ALA A 18 -5.282 13.955 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.529 14.580 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.374 12.111 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.053 12.642 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.132 11.909 -6.157 1.00 0.00 H new ATOM 281 N SER A 19 -1.143 13.951 -5.404 1.00 0.00 N ATOM 282 CA SER A 19 0.237 14.071 -5.822 1.00 0.00 C ATOM 283 C SER A 19 1.107 13.517 -4.712 1.00 0.00 C ATOM 284 O SER A 19 0.814 13.693 -3.524 1.00 0.00 O ATOM 285 CB SER A 19 0.576 15.534 -6.154 1.00 0.00 C ATOM 286 OG SER A 19 0.164 16.494 -5.182 1.00 0.00 O ATOM 0 H SER A 19 -1.270 13.969 -4.392 1.00 0.00 H new ATOM 0 HA SER A 19 0.417 13.502 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.654 15.618 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.115 15.788 -7.109 1.00 0.00 H new ATOM 0 HG SER A 19 0.423 17.391 -5.478 1.00 0.00 H new ATOM 292 N PHE A 20 2.164 12.808 -5.094 1.00 0.00 N ATOM 293 CA PHE A 20 3.124 12.312 -4.137 1.00 0.00 C ATOM 294 C PHE A 20 3.761 13.502 -3.419 1.00 0.00 C ATOM 295 O PHE A 20 3.825 14.608 -3.973 1.00 0.00 O ATOM 296 CB PHE A 20 4.175 11.453 -4.863 1.00 0.00 C ATOM 297 CG PHE A 20 5.257 10.915 -3.952 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.909 10.131 -2.834 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.601 11.283 -4.158 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.894 9.752 -1.908 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.589 10.892 -3.238 1.00 0.00 C ATOM 302 CZ PHE A 20 7.231 10.142 -2.105 1.00 0.00 C ATOM 0 H PHE A 20 2.371 12.568 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 20 2.638 11.681 -3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.674 10.617 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.638 12.049 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.884 9.822 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.873 11.867 -5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.625 9.161 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.620 11.167 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.985 9.864 -1.383 1.00 0.00 H new ATOM 312 N ASP A 21 4.260 13.271 -2.212 1.00 0.00 N ATOM 313 CA ASP A 21 4.934 14.260 -1.387 1.00 0.00 C ATOM 314 C ASP A 21 6.045 13.519 -0.650 1.00 0.00 C ATOM 315 O ASP A 21 5.936 12.308 -0.485 1.00 0.00 O ATOM 316 CB ASP A 21 3.918 14.866 -0.409 1.00 0.00 C ATOM 317 CG ASP A 21 4.526 16.008 0.404 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.172 15.729 1.436 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.401 17.176 -0.034 1.00 0.00 O ATOM 0 H ASP A 21 4.203 12.355 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 21 5.355 15.077 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.054 15.234 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.557 14.091 0.267 1.00 0.00 H new ATOM 324 N ASN A 22 7.082 14.213 -0.189 1.00 0.00 N ATOM 325 CA ASN A 22 8.300 13.744 0.481 1.00 0.00 C ATOM 326 C ASN A 22 8.089 12.885 1.741 1.00 0.00 C ATOM 327 O ASN A 22 9.042 12.646 2.479 1.00 0.00 O ATOM 328 CB ASN A 22 9.143 15.001 0.742 1.00 0.00 C ATOM 329 CG ASN A 22 10.392 14.931 1.535 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.531 15.612 2.533 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.399 14.245 1.079 1.00 0.00 N ATOM 0 H ASN A 22 7.094 15.228 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 22 8.812 13.034 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.405 15.417 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.493 15.725 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.299 14.280 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.289 13.672 0.242 1.00 0.00 H new ATOM 338 N PHE A 23 6.891 12.372 2.025 1.00 0.00 N ATOM 339 CA PHE A 23 6.744 11.265 2.952 1.00 0.00 C ATOM 340 C PHE A 23 7.533 10.055 2.443 1.00 0.00 C ATOM 341 O PHE A 23 7.451 9.641 1.283 1.00 0.00 O ATOM 342 CB PHE A 23 5.274 10.922 3.229 1.00 0.00 C ATOM 343 CG PHE A 23 4.482 10.252 2.120 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.530 8.853 1.962 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.643 11.016 1.287 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.751 8.224 0.977 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.864 10.387 0.302 1.00 0.00 C ATOM 348 CZ PHE A 23 2.915 8.989 0.149 1.00 0.00 C ATOM 0 H PHE A 23 6.015 12.709 1.625 1.00 0.00 H new ATOM 0 HA PHE A 23 7.159 11.570 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.241 10.272 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.760 11.845 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.169 8.261 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.598 12.089 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.795 7.152 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.225 10.977 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.311 8.505 -0.605 1.00 0.00 H new ATOM 358 N LYS A 24 8.297 9.455 3.344 1.00 0.00 N ATOM 359 CA LYS A 24 8.796 8.106 3.182 1.00 0.00 C ATOM 360 C LYS A 24 7.703 7.190 3.688 1.00 0.00 C ATOM 361 O LYS A 24 6.942 7.541 4.599 1.00 0.00 O ATOM 362 CB LYS A 24 10.077 7.983 4.003 1.00 0.00 C ATOM 363 CG LYS A 24 10.729 6.598 4.068 1.00 0.00 C ATOM 364 CD LYS A 24 11.988 6.605 4.943 1.00 0.00 C ATOM 365 CE LYS A 24 12.845 5.378 4.630 1.00 0.00 C ATOM 366 NZ LYS A 24 13.877 5.145 5.662 1.00 0.00 N ATOM 0 H LYS A 24 8.588 9.899 4.215 1.00 0.00 H new ATOM 0 HA LYS A 24 9.035 7.848 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.808 8.683 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.859 8.303 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.014 5.877 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.987 6.270 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.561 7.515 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.709 6.606 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.205 4.499 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.325 5.509 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.435 4.304 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.504 5.973 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.419 4.994 6.583 1.00 0.00 H new ATOM 380 N LEU A 25 7.692 5.975 3.163 1.00 0.00 N ATOM 381 CA LEU A 25 6.957 4.875 3.770 1.00 0.00 C ATOM 382 C LEU A 25 7.967 3.847 4.259 1.00 0.00 C ATOM 383 O LEU A 25 9.056 3.726 3.695 1.00 0.00 O ATOM 384 CB LEU A 25 5.832 4.351 2.846 1.00 0.00 C ATOM 385 CG LEU A 25 6.100 4.281 1.335 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.030 3.124 0.971 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.786 4.077 0.580 1.00 0.00 C ATOM 0 H LEU A 25 8.189 5.724 2.309 1.00 0.00 H new ATOM 0 HA LEU A 25 6.398 5.202 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.566 3.349 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.956 4.982 2.999 1.00 0.00 H new ATOM 0 HG LEU A 25 6.574 5.222 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.192 3.113 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.985 3.251 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.577 2.182 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.985 4.029 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.320 3.147 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.114 4.910 0.787 1.00 0.00 H new ATOM 399 N THR A 26 7.624 3.130 5.324 1.00 0.00 N ATOM 400 CA THR A 26 8.455 2.100 5.934 1.00 0.00 C ATOM 401 C THR A 26 7.604 0.842 6.155 1.00 0.00 C ATOM 402 O THR A 26 6.390 0.858 5.909 1.00 0.00 O ATOM 403 CB THR A 26 9.143 2.630 7.213 1.00 0.00 C ATOM 404 OG1 THR A 26 8.240 2.708 8.295 1.00 0.00 O ATOM 405 CG2 THR A 26 9.815 4.000 7.037 1.00 0.00 C ATOM 0 H THR A 26 6.731 3.254 5.801 1.00 0.00 H new ATOM 0 HA THR A 26 9.273 1.823 5.269 1.00 0.00 H new ATOM 0 HB THR A 26 9.925 1.900 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.588 3.420 8.127 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.275 4.303 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.580 3.933 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.067 4.737 6.745 1.00 0.00 H new ATOM 413 N CYS A 27 8.221 -0.263 6.565 1.00 0.00 N ATOM 414 CA CYS A 27 7.607 -1.515 6.993 1.00 0.00 C ATOM 415 C CYS A 27 8.739 -2.385 7.549 1.00 0.00 C ATOM 416 O CYS A 27 9.911 -2.108 7.282 1.00 0.00 O ATOM 417 CB CYS A 27 6.915 -2.169 5.789 1.00 0.00 C ATOM 418 SG CYS A 27 6.087 -3.719 6.209 1.00 0.00 S ATOM 0 H CYS A 27 9.239 -0.309 6.610 1.00 0.00 H new ATOM 0 HA CYS A 27 6.846 -1.370 7.760 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.185 -1.474 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.654 -2.357 5.010 1.00 0.00 H new ATOM 0 HG CYS A 27 6.184 -4.547 5.211 1.00 0.00 H new ATOM 424 N SER A 28 8.401 -3.439 8.294 1.00 0.00 N ATOM 425 CA SER A 28 9.359 -4.356 8.897 1.00 0.00 C ATOM 426 C SER A 28 10.305 -4.934 7.837 1.00 0.00 C ATOM 427 O SER A 28 11.525 -4.835 7.974 1.00 0.00 O ATOM 428 CB SER A 28 8.610 -5.448 9.668 1.00 0.00 C ATOM 429 OG SER A 28 9.407 -5.944 10.722 1.00 0.00 O ATOM 0 H SER A 28 7.431 -3.681 8.497 1.00 0.00 H new ATOM 0 HA SER A 28 9.984 -3.814 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.678 -5.046 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.343 -6.261 8.992 1.00 0.00 H new ATOM 0 HG SER A 28 8.914 -6.639 11.206 1.00 0.00 H new ATOM 435 N ASN A 29 9.757 -5.500 6.755 1.00 0.00 N ATOM 436 CA ASN A 29 10.572 -5.986 5.643 1.00 0.00 C ATOM 437 C ASN A 29 10.926 -4.781 4.781 1.00 0.00 C ATOM 438 O ASN A 29 10.065 -4.273 4.059 1.00 0.00 O ATOM 439 CB ASN A 29 9.858 -7.073 4.820 1.00 0.00 C ATOM 440 CG ASN A 29 10.782 -7.677 3.758 1.00 0.00 C ATOM 441 OD1 ASN A 29 11.858 -7.164 3.457 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.398 -8.799 3.179 1.00 0.00 N ATOM 0 H ASN A 29 8.753 -5.631 6.629 1.00 0.00 H new ATOM 0 HA ASN A 29 11.472 -6.462 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.505 -7.861 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.979 -6.646 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.994 -9.242 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.505 -9.223 3.430 1.00 0.00 H new ATOM 449 N THR A 30 12.164 -4.297 4.875 1.00 0.00 N ATOM 450 CA THR A 30 12.605 -3.110 4.160 1.00 0.00 C ATOM 451 C THR A 30 12.395 -3.197 2.644 1.00 0.00 C ATOM 452 O THR A 30 12.045 -2.170 2.069 1.00 0.00 O ATOM 453 CB THR A 30 14.060 -2.746 4.514 1.00 0.00 C ATOM 454 OG1 THR A 30 14.817 -3.829 5.044 1.00 0.00 O ATOM 455 CG2 THR A 30 14.082 -1.637 5.569 1.00 0.00 C ATOM 0 H THR A 30 12.889 -4.722 5.453 1.00 0.00 H new ATOM 0 HA THR A 30 11.963 -2.298 4.501 1.00 0.00 H new ATOM 0 HB THR A 30 14.511 -2.437 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.727 -3.525 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.115 -1.387 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.577 -0.753 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.570 -1.980 6.468 1.00 0.00 H new ATOM 463 N LYS A 31 12.505 -4.376 2.001 1.00 0.00 N ATOM 464 CA LYS A 31 12.236 -4.515 0.560 1.00 0.00 C ATOM 465 C LYS A 31 10.893 -3.892 0.232 1.00 0.00 C ATOM 466 O LYS A 31 10.803 -3.138 -0.727 1.00 0.00 O ATOM 467 CB LYS A 31 12.257 -5.989 0.092 1.00 0.00 C ATOM 468 CG LYS A 31 11.632 -6.256 -1.301 1.00 0.00 C ATOM 469 CD LYS A 31 12.277 -5.522 -2.492 1.00 0.00 C ATOM 470 CE LYS A 31 13.653 -6.095 -2.825 1.00 0.00 C ATOM 471 NZ LYS A 31 14.396 -5.269 -3.799 1.00 0.00 N ATOM 0 H LYS A 31 12.779 -5.245 2.459 1.00 0.00 H new ATOM 0 HA LYS A 31 13.034 -3.997 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.291 -6.333 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.729 -6.594 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.676 -7.328 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.578 -5.982 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.628 -5.601 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.370 -4.461 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.237 -6.182 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.535 -7.102 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.322 -5.704 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.855 -5.206 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.535 -4.315 -3.410 1.00 0.00 H new ATOM 485 N PHE A 32 9.866 -4.214 1.013 1.00 0.00 N ATOM 486 CA PHE A 32 8.505 -3.798 0.746 1.00 0.00 C ATOM 487 C PHE A 32 8.433 -2.286 0.580 1.00 0.00 C ATOM 488 O PHE A 32 7.953 -1.779 -0.433 1.00 0.00 O ATOM 489 CB PHE A 32 7.625 -4.249 1.916 1.00 0.00 C ATOM 490 CG PHE A 32 6.158 -4.323 1.564 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.768 -5.134 0.485 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.188 -3.596 2.280 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.422 -5.221 0.109 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.835 -3.694 1.909 1.00 0.00 C ATOM 495 CZ PHE A 32 3.453 -4.496 0.821 1.00 0.00 C ATOM 0 H PHE A 32 9.963 -4.778 1.857 1.00 0.00 H new ATOM 0 HA PHE A 32 8.154 -4.252 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.960 -5.229 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.758 -3.559 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.513 -5.695 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.481 -2.968 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.131 -5.843 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.085 -3.149 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.414 -4.555 0.532 1.00 0.00 H new ATOM 505 N ALA A 33 8.944 -1.580 1.587 1.00 0.00 N ATOM 506 CA ALA A 33 8.961 -0.139 1.613 1.00 0.00 C ATOM 507 C ALA A 33 9.881 0.416 0.535 1.00 0.00 C ATOM 508 O ALA A 33 9.588 1.466 -0.023 1.00 0.00 O ATOM 509 CB ALA A 33 9.441 0.306 2.991 1.00 0.00 C ATOM 0 H ALA A 33 9.361 -2.009 2.413 1.00 0.00 H new ATOM 0 HA ALA A 33 7.958 0.241 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.462 1.395 3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.761 -0.075 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.443 -0.084 3.171 1.00 0.00 H new ATOM 515 N ASP A 34 11.016 -0.230 0.281 1.00 0.00 N ATOM 516 CA ASP A 34 12.049 0.360 -0.571 1.00 0.00 C ATOM 517 C ASP A 34 11.668 0.251 -2.040 1.00 0.00 C ATOM 518 O ASP A 34 11.899 1.187 -2.793 1.00 0.00 O ATOM 519 CB ASP A 34 13.451 -0.219 -0.321 1.00 0.00 C ATOM 520 CG ASP A 34 14.483 0.904 -0.441 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.424 1.816 0.418 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.347 0.910 -1.349 1.00 0.00 O ATOM 0 H ASP A 34 11.244 -1.154 0.648 1.00 0.00 H new ATOM 0 HA ASP A 34 12.104 1.414 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.500 -0.671 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.667 -1.007 -1.042 1.00 0.00 H new ATOM 527 N ASP A 35 11.034 -0.859 -2.425 1.00 0.00 N ATOM 528 CA ASP A 35 10.422 -1.123 -3.728 1.00 0.00 C ATOM 529 C ASP A 35 9.337 -0.091 -4.018 1.00 0.00 C ATOM 530 O ASP A 35 9.368 0.552 -5.069 1.00 0.00 O ATOM 531 CB ASP A 35 9.881 -2.561 -3.721 1.00 0.00 C ATOM 532 CG ASP A 35 9.686 -3.182 -5.103 1.00 0.00 C ATOM 533 OD1 ASP A 35 8.995 -2.608 -5.970 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.265 -4.265 -5.341 1.00 0.00 O ATOM 0 H ASP A 35 10.928 -1.651 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 35 11.156 -1.033 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.566 -3.188 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.926 -2.572 -3.196 1.00 0.00 H new ATOM 539 N LEU A 36 8.442 0.136 -3.053 1.00 0.00 N ATOM 540 CA LEU A 36 7.398 1.151 -3.148 1.00 0.00 C ATOM 541 C LEU A 36 7.966 2.563 -3.224 1.00 0.00 C ATOM 542 O LEU A 36 7.540 3.344 -4.075 1.00 0.00 O ATOM 543 CB LEU A 36 6.456 1.039 -1.948 1.00 0.00 C ATOM 544 CG LEU A 36 5.518 -0.173 -1.991 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.804 -0.239 -0.641 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.487 -0.094 -3.122 1.00 0.00 C ATOM 0 H LEU A 36 8.424 -0.386 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 36 6.851 0.968 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.052 0.990 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.855 1.946 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 36 6.109 -1.068 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.124 -1.091 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.540 -0.352 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.238 0.679 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.853 -0.981 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.871 0.796 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.002 -0.041 -4.081 1.00 0.00 H new ATOM 558 N ASN A 37 8.935 2.892 -2.368 1.00 0.00 N ATOM 559 CA ASN A 37 9.592 4.192 -2.374 1.00 0.00 C ATOM 560 C ASN A 37 10.311 4.435 -3.710 1.00 0.00 C ATOM 561 O ASN A 37 10.480 5.581 -4.129 1.00 0.00 O ATOM 562 CB ASN A 37 10.604 4.261 -1.220 1.00 0.00 C ATOM 563 CG ASN A 37 10.037 4.670 0.144 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.274 5.622 0.298 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.436 3.967 1.191 1.00 0.00 N ATOM 0 H ASN A 37 9.285 2.258 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 37 8.834 4.965 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.076 3.284 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.389 4.967 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.111 4.215 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.069 3.177 1.064 1.00 0.00 H new ATOM 572 N GLN A 38 10.747 3.364 -4.381 1.00 0.00 N ATOM 573 CA GLN A 38 11.375 3.419 -5.691 1.00 0.00 C ATOM 574 C GLN A 38 10.368 3.837 -6.760 1.00 0.00 C ATOM 575 O GLN A 38 10.790 4.359 -7.788 1.00 0.00 O ATOM 576 CB GLN A 38 12.005 2.052 -6.033 1.00 0.00 C ATOM 577 CG GLN A 38 13.526 2.094 -6.233 1.00 0.00 C ATOM 578 CD GLN A 38 13.948 2.264 -7.692 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.767 1.495 -8.188 1.00 0.00 O ATOM 580 NE2 GLN A 38 13.418 3.230 -8.425 1.00 0.00 N ATOM 0 H GLN A 38 10.668 2.416 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 38 12.165 4.170 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.774 1.348 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.541 1.667 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.938 2.915 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.961 1.174 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.738 3.868 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.690 3.336 -9.402 1.00 0.00 H new ATOM 589 N MET A 39 9.069 3.604 -6.549 1.00 0.00 N ATOM 590 CA MET A 39 8.034 3.938 -7.506 1.00 0.00 C ATOM 591 C MET A 39 7.582 5.386 -7.330 1.00 0.00 C ATOM 592 O MET A 39 7.383 6.085 -8.324 1.00 0.00 O ATOM 593 CB MET A 39 6.858 2.973 -7.342 1.00 0.00 C ATOM 594 CG MET A 39 7.267 1.513 -7.592 1.00 0.00 C ATOM 595 SD MET A 39 6.277 0.274 -6.713 1.00 0.00 S ATOM 596 CE MET A 39 4.628 0.796 -7.221 1.00 0.00 C ATOM 0 H MET A 39 8.712 3.173 -5.696 1.00 0.00 H new ATOM 0 HA MET A 39 8.434 3.839 -8.515 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.450 3.067 -6.335 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.063 3.250 -8.035 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.205 1.313 -8.662 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.311 1.391 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.042 1.060 -6.340 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.707 1.663 -7.877 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.136 -0.018 -7.753 1.00 0.00 H new ATOM 606 N THR A 40 7.432 5.858 -6.087 1.00 0.00 N ATOM 607 CA THR A 40 7.067 7.247 -5.823 1.00 0.00 C ATOM 608 C THR A 40 8.170 8.233 -6.237 1.00 0.00 C ATOM 609 O THR A 40 7.860 9.387 -6.554 1.00 0.00 O ATOM 610 CB THR A 40 6.701 7.409 -4.338 1.00 0.00 C ATOM 611 OG1 THR A 40 7.701 6.890 -3.487 1.00 0.00 O ATOM 612 CG2 THR A 40 5.396 6.685 -4.000 1.00 0.00 C ATOM 0 H THR A 40 7.559 5.293 -5.248 1.00 0.00 H new ATOM 0 HA THR A 40 6.199 7.490 -6.436 1.00 0.00 H new ATOM 0 HB THR A 40 6.595 8.482 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.432 7.013 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.168 6.821 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.585 7.096 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.504 5.622 -4.214 1.00 0.00 H new ATOM 620 N GLY A 41 9.432 7.784 -6.258 1.00 0.00 N ATOM 621 CA GLY A 41 10.597 8.641 -6.453 1.00 0.00 C ATOM 622 C GLY A 41 11.118 9.204 -5.130 1.00 0.00 C ATOM 623 O GLY A 41 11.937 10.127 -5.127 1.00 0.00 O ATOM 0 H GLY A 41 9.670 6.800 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.388 8.073 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.336 9.463 -7.120 1.00 0.00 H new ATOM 627 N PHE A 42 10.657 8.650 -4.002 1.00 0.00 N ATOM 628 CA PHE A 42 10.971 9.112 -2.662 1.00 0.00 C ATOM 629 C PHE A 42 12.473 9.339 -2.491 1.00 0.00 C ATOM 630 O PHE A 42 13.294 8.468 -2.815 1.00 0.00 O ATOM 631 CB PHE A 42 10.468 8.098 -1.626 1.00 0.00 C ATOM 632 CG PHE A 42 11.169 8.244 -0.294 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.972 9.407 0.472 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.178 7.328 0.072 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.829 9.677 1.542 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.966 7.550 1.207 1.00 0.00 C ATOM 637 CZ PHE A 42 12.787 8.729 1.939 1.00 0.00 C ATOM 0 H PHE A 42 10.035 7.841 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 42 10.467 10.066 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.395 8.227 -1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.620 7.088 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.166 10.085 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.344 6.447 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.755 10.618 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.702 6.822 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.390 8.912 2.816 1.00 0.00 H new ATOM 647 N THR A 43 12.816 10.487 -1.912 1.00 0.00 N ATOM 648 CA THR A 43 14.168 10.904 -1.609 1.00 0.00 C ATOM 649 C THR A 43 14.194 11.584 -0.245 1.00 0.00 C ATOM 650 O THR A 43 13.250 12.266 0.149 1.00 0.00 O ATOM 651 CB THR A 43 14.612 11.818 -2.765 1.00 0.00 C ATOM 652 OG1 THR A 43 14.770 11.055 -3.947 1.00 0.00 O ATOM 653 CG2 THR A 43 15.927 12.548 -2.520 1.00 0.00 C ATOM 0 H THR A 43 12.121 11.179 -1.631 1.00 0.00 H new ATOM 0 HA THR A 43 14.866 10.070 -1.536 1.00 0.00 H new ATOM 0 HB THR A 43 13.825 12.567 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.890 10.785 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.165 13.169 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.834 13.177 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.724 11.820 -2.366 1.00 0.00 H new ATOM 661 N LYS A 44 15.280 11.358 0.500 1.00 0.00 N ATOM 662 CA LYS A 44 15.505 11.966 1.799 1.00 0.00 C ATOM 663 C LYS A 44 16.088 13.373 1.649 1.00 0.00 C ATOM 664 O LYS A 44 16.618 13.710 0.590 1.00 0.00 O ATOM 665 CB LYS A 44 16.418 11.038 2.639 1.00 0.00 C ATOM 666 CG LYS A 44 15.598 10.212 3.628 1.00 0.00 C ATOM 667 CD LYS A 44 15.918 8.711 3.671 1.00 0.00 C ATOM 668 CE LYS A 44 17.243 8.347 4.352 1.00 0.00 C ATOM 669 NZ LYS A 44 17.259 8.683 5.793 1.00 0.00 N ATOM 0 H LYS A 44 16.034 10.737 0.206 1.00 0.00 H new ATOM 0 HA LYS A 44 14.556 12.080 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.974 10.373 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.152 11.636 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.745 10.624 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.542 10.332 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.108 8.197 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.936 8.330 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.427 7.280 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.059 8.870 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.127 8.310 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.230 9.716 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.430 8.259 6.257 1.00 0.00 H new ATOM 683 N PRO A 45 16.060 14.166 2.724 1.00 0.00 N ATOM 684 CA PRO A 45 15.390 13.814 3.964 1.00 0.00 C ATOM 685 C PRO A 45 13.875 13.814 3.777 1.00 0.00 C ATOM 686 O PRO A 45 13.356 14.672 3.071 1.00 0.00 O ATOM 687 CB PRO A 45 15.820 14.868 4.951 1.00 0.00 C ATOM 688 CG PRO A 45 16.081 16.104 4.096 1.00 0.00 C ATOM 689 CD PRO A 45 16.604 15.513 2.788 1.00 0.00 C ATOM 0 HA PRO A 45 15.651 12.812 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.046 15.056 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.715 14.563 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.173 16.687 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.811 16.768 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.282 16.107 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.694 15.497 2.773 1.00 0.00 H new ATOM 697 N ALA A 46 13.187 12.800 4.309 1.00 0.00 N ATOM 698 CA ALA A 46 11.739 12.698 4.156 1.00 0.00 C ATOM 699 C ALA A 46 11.047 13.674 5.110 1.00 0.00 C ATOM 700 O ALA A 46 11.530 13.907 6.219 1.00 0.00 O ATOM 701 CB ALA A 46 11.277 11.284 4.528 1.00 0.00 C ATOM 0 H ALA A 46 13.610 12.043 4.846 1.00 0.00 H new ATOM 0 HA ALA A 46 11.485 12.927 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.196 11.212 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.761 10.559 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.546 11.074 5.563 1.00 0.00 H new ATOM 707 N SER A 47 9.864 14.141 4.738 1.00 0.00 N ATOM 708 CA SER A 47 9.041 15.039 5.522 1.00 0.00 C ATOM 709 C SER A 47 8.492 14.268 6.723 1.00 0.00 C ATOM 710 O SER A 47 8.621 14.719 7.862 1.00 0.00 O ATOM 711 CB SER A 47 7.973 15.643 4.595 1.00 0.00 C ATOM 712 OG SER A 47 6.899 16.195 5.326 1.00 0.00 O ATOM 0 H SER A 47 9.438 13.892 3.845 1.00 0.00 H new ATOM 0 HA SER A 47 9.599 15.880 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.425 16.416 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.597 14.872 3.922 1.00 0.00 H new ATOM 0 HG SER A 47 6.240 16.571 4.706 1.00 0.00 H new ATOM 718 N ARG A 48 7.939 13.072 6.512 1.00 0.00 N ATOM 719 CA ARG A 48 7.412 12.207 7.564 1.00 0.00 C ATOM 720 C ARG A 48 7.658 10.756 7.182 1.00 0.00 C ATOM 721 O ARG A 48 8.021 10.469 6.037 1.00 0.00 O ATOM 722 CB ARG A 48 5.929 12.545 7.825 1.00 0.00 C ATOM 723 CG ARG A 48 4.948 12.291 6.663 1.00 0.00 C ATOM 724 CD ARG A 48 4.362 10.870 6.624 1.00 0.00 C ATOM 725 NE ARG A 48 3.511 10.586 7.790 1.00 0.00 N ATOM 726 CZ ARG A 48 2.243 10.978 7.959 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.590 11.643 7.008 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.626 10.679 9.094 1.00 0.00 N ATOM 0 H ARG A 48 7.844 12.670 5.580 1.00 0.00 H new ATOM 0 HA ARG A 48 7.928 12.375 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.594 11.967 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.863 13.597 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.129 13.007 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.462 12.485 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.779 10.745 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.175 10.145 6.585 1.00 0.00 H new ATOM 0 HE ARG A 48 3.928 10.037 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.056 11.864 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.623 11.932 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.118 10.159 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.659 10.969 9.241 1.00 0.00 H new ATOM 742 N GLU A 49 7.427 9.834 8.112 1.00 0.00 N ATOM 743 CA GLU A 49 7.695 8.414 7.922 1.00 0.00 C ATOM 744 C GLU A 49 6.444 7.630 8.283 1.00 0.00 C ATOM 745 O GLU A 49 6.105 7.470 9.457 1.00 0.00 O ATOM 746 CB GLU A 49 8.930 7.974 8.729 1.00 0.00 C ATOM 747 CG GLU A 49 10.191 8.381 7.955 1.00 0.00 C ATOM 748 CD GLU A 49 11.525 7.948 8.562 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.557 7.345 9.662 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.572 8.216 7.926 1.00 0.00 O ATOM 0 H GLU A 49 7.043 10.056 9.031 1.00 0.00 H new ATOM 0 HA GLU A 49 7.935 8.212 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.924 8.440 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.914 6.896 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.123 7.969 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.196 9.466 7.855 1.00 0.00 H new ATOM 757 N LEU A 50 5.724 7.166 7.267 1.00 0.00 N ATOM 758 CA LEU A 50 4.649 6.189 7.449 1.00 0.00 C ATOM 759 C LEU A 50 5.275 4.844 7.833 1.00 0.00 C ATOM 760 O LEU A 50 6.474 4.631 7.644 1.00 0.00 O ATOM 761 CB LEU A 50 3.819 6.055 6.159 1.00 0.00 C ATOM 762 CG LEU A 50 3.092 7.346 5.739 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.509 7.172 4.335 1.00 0.00 C ATOM 764 CD2 LEU A 50 1.971 7.693 6.721 1.00 0.00 C ATOM 0 H LEU A 50 5.866 7.453 6.298 1.00 0.00 H new ATOM 0 HA LEU A 50 3.977 6.520 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.477 5.741 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.082 5.264 6.295 1.00 0.00 H new ATOM 0 HG LEU A 50 3.814 8.162 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.995 8.086 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.314 6.964 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.803 6.342 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.476 8.609 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.247 6.879 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.391 7.839 7.716 1.00 0.00 H new ATOM 776 N SER A 51 4.477 3.908 8.336 1.00 0.00 N ATOM 777 CA SER A 51 4.885 2.542 8.622 1.00 0.00 C ATOM 778 C SER A 51 3.737 1.629 8.200 1.00 0.00 C ATOM 779 O SER A 51 2.572 2.031 8.310 1.00 0.00 O ATOM 780 CB SER A 51 5.197 2.450 10.115 1.00 0.00 C ATOM 781 OG SER A 51 5.961 1.306 10.433 1.00 0.00 O ATOM 0 H SER A 51 3.499 4.087 8.562 1.00 0.00 H new ATOM 0 HA SER A 51 5.779 2.239 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.738 3.344 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.264 2.429 10.678 1.00 0.00 H new ATOM 0 HG SER A 51 6.138 1.289 11.397 1.00 0.00 H new ATOM 787 N VAL A 52 4.050 0.428 7.702 1.00 0.00 N ATOM 788 CA VAL A 52 3.039 -0.528 7.258 1.00 0.00 C ATOM 789 C VAL A 52 3.227 -1.827 8.024 1.00 0.00 C ATOM 790 O VAL A 52 4.360 -2.205 8.337 1.00 0.00 O ATOM 791 CB VAL A 52 3.122 -0.718 5.728 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.255 -1.869 5.197 1.00 0.00 C ATOM 793 CG2 VAL A 52 2.700 0.568 5.009 1.00 0.00 C ATOM 0 H VAL A 52 5.009 0.095 7.597 1.00 0.00 H new ATOM 0 HA VAL A 52 2.037 -0.155 7.469 1.00 0.00 H new ATOM 0 HB VAL A 52 4.163 -0.966 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.367 -1.939 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.572 -2.805 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.210 -1.680 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.763 0.420 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.674 0.817 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.362 1.383 5.303 1.00 0.00 H new ATOM 803 N THR A 53 2.120 -2.523 8.269 1.00 0.00 N ATOM 804 CA THR A 53 2.087 -3.797 8.958 1.00 0.00 C ATOM 805 C THR A 53 1.293 -4.812 8.136 1.00 0.00 C ATOM 806 O THR A 53 0.318 -4.461 7.465 1.00 0.00 O ATOM 807 CB THR A 53 1.507 -3.583 10.360 1.00 0.00 C ATOM 808 OG1 THR A 53 0.312 -2.828 10.354 1.00 0.00 O ATOM 809 CG2 THR A 53 2.505 -2.844 11.244 1.00 0.00 C ATOM 0 H THR A 53 1.196 -2.200 7.982 1.00 0.00 H new ATOM 0 HA THR A 53 3.092 -4.204 9.071 1.00 0.00 H new ATOM 0 HB THR A 53 1.294 -4.580 10.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.456 -3.431 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.076 -2.701 12.236 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.421 -3.429 11.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.732 -1.873 10.803 1.00 0.00 H new ATOM 817 N PHE A 54 1.737 -6.067 8.173 1.00 0.00 N ATOM 818 CA PHE A 54 1.119 -7.192 7.495 1.00 0.00 C ATOM 819 C PHE A 54 0.109 -7.813 8.442 1.00 0.00 C ATOM 820 O PHE A 54 0.468 -8.120 9.580 1.00 0.00 O ATOM 821 CB PHE A 54 2.194 -8.226 7.138 1.00 0.00 C ATOM 822 CG PHE A 54 3.335 -7.664 6.318 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.073 -7.130 5.047 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.646 -7.653 6.828 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.120 -6.599 4.274 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.699 -7.143 6.050 1.00 0.00 C ATOM 827 CZ PHE A 54 5.433 -6.614 4.773 1.00 0.00 C ATOM 0 H PHE A 54 2.570 -6.333 8.698 1.00 0.00 H new ATOM 0 HA PHE A 54 0.627 -6.863 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.595 -8.651 8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.730 -9.043 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.064 -7.127 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.843 -8.037 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.916 -6.181 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.710 -7.157 6.431 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.241 -6.218 4.175 1.00 0.00 H new ATOM 837 N PHE A 55 -1.125 -8.023 7.979 1.00 0.00 N ATOM 838 CA PHE A 55 -2.189 -8.576 8.808 1.00 0.00 C ATOM 839 C PHE A 55 -1.762 -9.909 9.469 1.00 0.00 C ATOM 840 O PHE A 55 -1.067 -10.697 8.820 1.00 0.00 O ATOM 841 CB PHE A 55 -3.445 -8.771 7.934 1.00 0.00 C ATOM 842 CG PHE A 55 -4.719 -8.120 8.430 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.800 -6.723 8.570 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.842 -8.915 8.731 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.996 -6.127 9.000 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.036 -8.316 9.161 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.117 -6.921 9.289 1.00 0.00 C ATOM 0 H PHE A 55 -1.410 -7.814 7.022 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.408 -7.880 9.618 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.230 -8.386 6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.626 -9.841 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.941 -6.108 8.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.784 -9.989 8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.054 -5.054 9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.894 -8.930 9.394 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.039 -6.459 9.609 1.00 0.00 H new ATOM 857 N PRO A 56 -2.323 -10.293 10.629 1.00 0.00 N ATOM 858 CA PRO A 56 -3.185 -9.470 11.456 1.00 0.00 C ATOM 859 C PRO A 56 -2.346 -8.553 12.358 1.00 0.00 C ATOM 860 O PRO A 56 -1.938 -8.919 13.457 1.00 0.00 O ATOM 861 CB PRO A 56 -3.993 -10.483 12.270 1.00 0.00 C ATOM 862 CG PRO A 56 -2.999 -11.626 12.504 1.00 0.00 C ATOM 863 CD PRO A 56 -2.093 -11.583 11.270 1.00 0.00 C ATOM 0 HA PRO A 56 -3.828 -8.806 10.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.342 -10.056 13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.875 -10.823 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.431 -11.480 13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.508 -12.586 12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.046 -11.694 11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.327 -12.401 10.589 1.00 0.00 H new ATOM 871 N ASP A 57 -2.093 -7.335 11.906 1.00 0.00 N ATOM 872 CA ASP A 57 -1.347 -6.295 12.581 1.00 0.00 C ATOM 873 C ASP A 57 -1.643 -5.063 11.746 1.00 0.00 C ATOM 874 O ASP A 57 -1.362 -5.028 10.544 1.00 0.00 O ATOM 875 CB ASP A 57 0.154 -6.604 12.599 1.00 0.00 C ATOM 876 CG ASP A 57 1.037 -5.468 13.107 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.512 -4.388 13.457 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.277 -5.649 13.082 1.00 0.00 O ATOM 0 H ASP A 57 -2.429 -7.030 10.993 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.627 -6.182 13.628 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.322 -7.482 13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.469 -6.865 11.589 1.00 0.00 H new ATOM 883 N LEU A 58 -2.296 -4.089 12.358 1.00 0.00 N ATOM 884 CA LEU A 58 -2.681 -2.828 11.757 1.00 0.00 C ATOM 885 C LEU A 58 -2.179 -1.698 12.658 1.00 0.00 C ATOM 886 O LEU A 58 -2.819 -0.654 12.744 1.00 0.00 O ATOM 887 CB LEU A 58 -4.189 -2.809 11.425 1.00 0.00 C ATOM 888 CG LEU A 58 -5.158 -3.304 12.521 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.524 -2.642 12.327 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.382 -4.829 12.463 1.00 0.00 C ATOM 0 H LEU A 58 -2.585 -4.162 13.334 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.209 -2.681 10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.465 -1.787 11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.347 -3.417 10.534 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.708 -3.046 13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.210 -2.990 13.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.417 -1.560 12.397 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.919 -2.904 11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.071 -5.126 13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.804 -5.098 11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.430 -5.342 12.599 1.00 0.00 H new ATOM 902 N ASN A 59 -1.052 -1.922 13.347 1.00 0.00 N ATOM 903 CA ASN A 59 -0.411 -0.956 14.235 1.00 0.00 C ATOM 904 C ASN A 59 0.478 0.016 13.473 1.00 0.00 C ATOM 905 O ASN A 59 0.891 1.025 14.044 1.00 0.00 O ATOM 906 CB ASN A 59 0.470 -1.657 15.281 1.00 0.00 C ATOM 907 CG ASN A 59 -0.301 -2.530 16.250 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.568 -2.169 17.391 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.680 -3.703 15.800 1.00 0.00 N ATOM 0 H ASN A 59 -0.550 -2.808 13.297 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.224 -0.414 14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.210 -2.269 14.766 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.018 -0.902 15.845 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.207 -4.334 16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.447 -3.983 14.847 1.00 0.00 H new ATOM 916 N GLY A 60 0.826 -0.295 12.222 1.00 0.00 N ATOM 917 CA GLY A 60 1.421 0.682 11.322 1.00 0.00 C ATOM 918 C GLY A 60 0.386 1.757 11.009 1.00 0.00 C ATOM 919 O GLY A 60 -0.813 1.518 11.149 1.00 0.00 O ATOM 0 H GLY A 60 0.703 -1.221 11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.303 1.129 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.751 0.197 10.403 1.00 0.00 H new ATOM 923 N ASP A 61 0.830 2.915 10.515 1.00 0.00 N ATOM 924 CA ASP A 61 -0.048 3.951 9.959 1.00 0.00 C ATOM 925 C ASP A 61 -0.991 3.303 8.946 1.00 0.00 C ATOM 926 O ASP A 61 -2.209 3.477 8.977 1.00 0.00 O ATOM 927 CB ASP A 61 0.780 5.028 9.229 1.00 0.00 C ATOM 928 CG ASP A 61 1.130 6.246 10.068 1.00 0.00 C ATOM 929 OD1 ASP A 61 0.207 7.074 10.265 1.00 0.00 O ATOM 930 OD2 ASP A 61 2.324 6.401 10.419 1.00 0.00 O ATOM 0 H ASP A 61 1.819 3.164 10.489 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.605 4.415 10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.704 4.574 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.226 5.358 8.350 1.00 0.00 H new ATOM 935 N VAL A 62 -0.406 2.497 8.068 1.00 0.00 N ATOM 936 CA VAL A 62 -1.027 1.902 6.905 1.00 0.00 C ATOM 937 C VAL A 62 -0.956 0.376 7.087 1.00 0.00 C ATOM 938 O VAL A 62 -0.183 -0.135 7.898 1.00 0.00 O ATOM 939 CB VAL A 62 -0.252 2.456 5.690 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.648 1.880 4.329 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.286 3.991 5.579 1.00 0.00 C ATOM 0 H VAL A 62 0.574 2.229 8.160 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.080 2.141 6.759 1.00 0.00 H new ATOM 0 HB VAL A 62 0.759 2.118 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.041 2.339 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.485 0.802 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.701 2.087 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.280 4.305 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.319 4.326 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.157 4.430 6.473 1.00 0.00 H new ATOM 951 N VAL A 63 -1.763 -0.376 6.342 1.00 0.00 N ATOM 952 CA VAL A 63 -1.935 -1.811 6.542 1.00 0.00 C ATOM 953 C VAL A 63 -1.612 -2.538 5.216 1.00 0.00 C ATOM 954 O VAL A 63 -1.449 -1.904 4.167 1.00 0.00 O ATOM 955 CB VAL A 63 -3.361 -2.032 7.118 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.568 -3.458 7.645 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.713 -1.060 8.276 1.00 0.00 C ATOM 0 H VAL A 63 -2.321 -0.001 5.575 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.247 -2.243 7.268 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.018 -1.842 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.581 -3.558 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.420 -4.171 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.850 -3.660 8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.722 -1.268 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.005 -1.196 9.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.660 -0.032 7.917 1.00 0.00 H new ATOM 967 N ALA A 64 -1.483 -3.866 5.242 1.00 0.00 N ATOM 968 CA ALA A 64 -1.269 -4.740 4.093 1.00 0.00 C ATOM 969 C ALA A 64 -2.085 -6.021 4.291 1.00 0.00 C ATOM 970 O ALA A 64 -2.279 -6.473 5.425 1.00 0.00 O ATOM 971 CB ALA A 64 0.226 -5.041 3.948 1.00 0.00 C ATOM 0 H ALA A 64 -1.528 -4.388 6.117 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.600 -4.255 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.384 -5.694 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.772 -4.109 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.587 -5.534 4.850 1.00 0.00 H new ATOM 977 N ILE A 65 -2.573 -6.590 3.188 1.00 0.00 N ATOM 978 CA ILE A 65 -3.510 -7.703 3.134 1.00 0.00 C ATOM 979 C ILE A 65 -2.924 -8.766 2.187 1.00 0.00 C ATOM 980 O ILE A 65 -2.226 -8.433 1.223 1.00 0.00 O ATOM 981 CB ILE A 65 -4.909 -7.190 2.705 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.512 -6.217 3.752 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.920 -8.318 2.423 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.910 -6.839 5.104 1.00 0.00 C ATOM 0 H ILE A 65 -2.307 -6.265 2.258 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.649 -8.166 4.111 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.735 -6.659 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.789 -5.423 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.395 -5.748 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.876 -7.885 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.545 -8.950 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.056 -8.918 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.319 -6.065 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.662 -7.611 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.031 -7.281 5.574 1.00 0.00 H new ATOM 996 N ASP A 66 -3.189 -10.044 2.468 1.00 0.00 N ATOM 997 CA ASP A 66 -2.703 -11.161 1.658 1.00 0.00 C ATOM 998 C ASP A 66 -3.357 -11.128 0.268 1.00 0.00 C ATOM 999 O ASP A 66 -4.559 -10.874 0.121 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.969 -12.494 2.387 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.428 -13.735 1.635 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.942 -14.046 0.555 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -1.617 -14.508 2.216 1.00 0.00 O ATOM 0 H ASP A 66 -3.750 -10.334 3.269 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.626 -11.069 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.514 -12.453 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.043 -12.609 2.534 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.554 -11.397 -0.758 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.884 -11.324 -2.173 1.00 0.00 C ATOM 1010 C TYR A 67 -4.060 -12.217 -2.580 1.00 0.00 C ATOM 1011 O TYR A 67 -4.694 -11.914 -3.595 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.614 -11.647 -2.981 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.810 -11.841 -4.472 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -1.891 -10.717 -5.307 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.900 -13.133 -5.028 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -1.992 -10.869 -6.698 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.029 -13.298 -6.420 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.051 -12.161 -7.262 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.125 -12.295 -8.614 1.00 0.00 O ATOM 0 H TYR A 67 -1.589 -11.692 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.225 -10.312 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.896 -10.841 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.167 -12.553 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.876 -9.727 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.870 -13.999 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.025 -9.998 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.111 -14.288 -6.843 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.158 -13.246 -8.847 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.443 -13.245 -1.806 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.631 -14.036 -2.108 1.00 0.00 C ATOM 1031 C ARG A 68 -6.880 -13.166 -2.219 1.00 0.00 C ATOM 1032 O ARG A 68 -7.843 -13.570 -2.869 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.816 -15.108 -1.027 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.242 -14.519 0.327 1.00 0.00 C ATOM 1035 CD ARG A 68 -6.370 -15.640 1.347 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.868 -15.105 2.625 1.00 0.00 N ATOM 1037 CZ ARG A 68 -6.112 -14.761 3.673 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -4.799 -14.972 3.643 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.685 -14.209 4.733 1.00 0.00 N ATOM 0 H ARG A 68 -3.943 -13.542 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.487 -14.513 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.566 -15.826 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.883 -15.657 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.508 -13.787 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.192 -13.995 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.050 -16.406 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.402 -16.119 1.496 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.877 -14.987 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.369 -15.396 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.222 -14.710 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.693 -14.051 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.118 -13.943 5.538 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.904 -12.004 -1.563 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.057 -11.124 -1.555 1.00 0.00 C ATOM 1055 C HIS A 69 -8.028 -10.099 -2.693 1.00 0.00 C ATOM 1056 O HIS A 69 -8.956 -9.296 -2.769 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.238 -10.514 -0.154 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.136 -11.321 0.759 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.627 -12.596 0.543 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.686 -10.865 1.925 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.455 -12.897 1.556 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.536 -11.865 2.413 1.00 0.00 N ATOM 0 H HIS A 69 -6.115 -11.652 -1.021 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.950 -11.713 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.259 -10.411 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.650 -9.510 -0.257 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.400 -13.201 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.499 -9.907 2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.981 -13.834 1.666 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.034 -10.112 -3.591 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.039 -9.257 -4.772 1.00 0.00 C ATOM 1072 C TYR A 70 -8.112 -9.706 -5.764 1.00 0.00 C ATOM 1073 O TYR A 70 -7.835 -10.438 -6.716 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.663 -9.211 -5.442 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.618 -8.467 -6.774 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.409 -7.320 -7.015 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.824 -8.985 -7.813 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.333 -6.653 -8.254 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.750 -8.326 -9.051 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.495 -7.149 -9.280 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.448 -6.543 -10.500 1.00 0.00 O ATOM 0 H TYR A 70 -6.213 -10.712 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.277 -8.246 -4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.958 -8.741 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.319 -10.233 -5.602 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.074 -6.954 -6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.267 -9.897 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.917 -5.760 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.119 -8.722 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.817 -7.020 -11.078 1.00 0.00 H new ATOM 1091 N SER A 71 -9.331 -9.212 -5.576 1.00 0.00 N ATOM 1092 CA SER A 71 -10.421 -9.413 -6.508 1.00 0.00 C ATOM 1093 C SER A 71 -10.660 -8.178 -7.371 1.00 0.00 C ATOM 1094 O SER A 71 -10.187 -7.077 -7.074 1.00 0.00 O ATOM 1095 CB SER A 71 -11.673 -9.842 -5.736 1.00 0.00 C ATOM 1096 OG SER A 71 -12.360 -10.838 -6.466 1.00 0.00 O ATOM 0 H SER A 71 -9.587 -8.655 -4.761 1.00 0.00 H new ATOM 0 HA SER A 71 -10.157 -10.211 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.394 -10.224 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.324 -8.983 -5.572 1.00 0.00 H new ATOM 0 HG SER A 71 -13.160 -11.113 -5.971 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.410 -8.369 -8.459 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.626 -7.367 -9.494 1.00 0.00 C ATOM 1104 C ALA A 72 -12.409 -6.151 -9.017 1.00 0.00 C ATOM 1105 O ALA A 72 -12.274 -5.113 -9.646 1.00 0.00 O ATOM 1106 CB ALA A 72 -12.305 -8.019 -10.702 1.00 0.00 C ATOM 0 H ALA A 72 -11.894 -9.248 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.646 -6.985 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.467 -7.270 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.668 -8.813 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.264 -8.439 -10.398 1.00 0.00 H new ATOM 1112 N SER A 73 -13.148 -6.203 -7.907 1.00 0.00 N ATOM 1113 CA SER A 73 -13.768 -4.998 -7.352 1.00 0.00 C ATOM 1114 C SER A 73 -12.678 -3.985 -6.986 1.00 0.00 C ATOM 1115 O SER A 73 -12.810 -2.779 -7.188 1.00 0.00 O ATOM 1116 CB SER A 73 -14.613 -5.356 -6.124 1.00 0.00 C ATOM 1117 OG SER A 73 -15.189 -6.649 -6.273 1.00 0.00 O ATOM 0 H SER A 73 -13.331 -7.057 -7.379 1.00 0.00 H new ATOM 0 HA SER A 73 -14.426 -4.552 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.992 -5.329 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.400 -4.614 -5.989 1.00 0.00 H new ATOM 0 HG SER A 73 -15.724 -6.862 -5.480 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.549 -4.491 -6.487 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.439 -3.717 -5.965 1.00 0.00 C ATOM 1125 C PHE A 74 -9.489 -3.289 -7.094 1.00 0.00 C ATOM 1126 O PHE A 74 -8.322 -2.994 -6.839 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.756 -4.539 -4.858 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.706 -5.274 -3.907 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.823 -4.627 -3.334 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.486 -6.630 -3.609 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.709 -5.330 -2.497 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.385 -7.341 -2.792 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.499 -6.692 -2.239 1.00 0.00 C ATOM 0 H PHE A 74 -11.384 -5.496 -6.437 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.790 -2.785 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.098 -5.272 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.124 -3.872 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.999 -3.582 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.618 -7.132 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.551 -4.820 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.217 -8.389 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.192 -7.239 -1.617 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.949 -3.271 -8.353 1.00 0.00 N ATOM 1144 CA LYS A 75 -9.166 -3.051 -9.573 1.00 0.00 C ATOM 1145 C LYS A 75 -8.465 -1.688 -9.586 1.00 0.00 C ATOM 1146 O LYS A 75 -7.475 -1.515 -10.296 1.00 0.00 O ATOM 1147 CB LYS A 75 -10.127 -3.268 -10.774 1.00 0.00 C ATOM 1148 CG LYS A 75 -10.093 -2.259 -11.925 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.871 -2.419 -12.831 1.00 0.00 C ATOM 1150 CE LYS A 75 -8.334 -1.055 -13.258 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.968 -1.192 -13.795 1.00 0.00 N ATOM 0 H LYS A 75 -10.937 -3.419 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.342 -3.762 -9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.921 -4.254 -11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.145 -3.293 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.998 -2.369 -12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.103 -1.249 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.093 -2.974 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.139 -3.002 -13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.988 -0.619 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.332 -0.374 -12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.613 -0.258 -14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.345 -1.589 -13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.981 -1.826 -14.619 1.00 0.00 H new ATOM 1165 N LYS A 76 -9.000 -0.706 -8.860 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.440 0.640 -8.748 1.00 0.00 C ATOM 1167 C LYS A 76 -7.967 0.915 -7.321 1.00 0.00 C ATOM 1168 O LYS A 76 -7.834 2.074 -6.937 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.443 1.687 -9.233 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.756 1.532 -10.716 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.556 2.728 -11.199 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.918 2.533 -12.662 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.957 3.503 -13.078 1.00 0.00 N ATOM 0 H LYS A 76 -9.857 -0.828 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.565 0.707 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.364 1.601 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.044 2.684 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.831 1.448 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.319 0.614 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.460 2.841 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.976 3.642 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.029 2.656 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.278 1.516 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.190 3.353 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.811 3.367 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.601 4.471 -12.946 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.748 -0.125 -6.523 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.405 -0.043 -5.118 1.00 0.00 C ATOM 1189 C GLY A 77 -8.578 -0.507 -4.265 1.00 0.00 C ATOM 1190 O GLY A 77 -9.710 -0.648 -4.735 1.00 0.00 O ATOM 0 H GLY A 77 -7.809 -1.087 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.530 -0.659 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.140 0.982 -4.859 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.295 -0.745 -2.993 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.246 -0.940 -1.922 1.00 0.00 C ATOM 1196 C ALA A 78 -8.629 -0.347 -0.667 1.00 0.00 C ATOM 1197 O ALA A 78 -7.470 0.083 -0.663 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.551 -2.430 -1.727 1.00 0.00 C ATOM 0 H ALA A 78 -7.331 -0.810 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.192 -0.452 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.269 -2.551 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.970 -2.839 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.631 -2.960 -1.480 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.414 -0.343 0.395 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.027 -0.011 1.750 1.00 0.00 C ATOM 1206 C LYS A 79 -9.724 -1.025 2.661 1.00 0.00 C ATOM 1207 O LYS A 79 -10.546 -1.822 2.200 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.412 1.450 2.051 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.878 1.730 1.694 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.560 2.891 2.417 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.065 2.596 2.543 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.447 2.372 3.960 1.00 0.00 N ATOM 0 H LYS A 79 -10.402 -0.588 0.327 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.951 -0.074 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.247 1.661 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.764 2.122 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.935 1.918 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.453 0.825 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.120 3.028 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.404 3.819 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.638 3.429 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.317 1.716 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.433 2.043 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.822 1.654 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.354 3.262 4.489 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.369 -1.002 3.937 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.025 -1.705 5.013 1.00 0.00 C ATOM 1228 C LEU A 80 -11.168 -0.798 5.499 1.00 0.00 C ATOM 1229 O LEU A 80 -11.457 0.245 4.894 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.942 -2.036 6.081 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.233 -3.269 6.948 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.240 -4.573 6.145 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.190 -3.375 8.067 1.00 0.00 C ATOM 0 H LEU A 80 -8.568 -0.459 4.261 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.474 -2.657 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.989 -2.185 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.824 -1.172 6.735 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.232 -3.133 7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.451 -5.409 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.008 -4.521 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.266 -4.718 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.401 -4.252 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.196 -3.468 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.231 -2.480 8.688 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.774 -1.179 6.624 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.895 -0.514 7.298 1.00 0.00 C ATOM 1247 C LEU A 81 -12.739 0.997 7.248 1.00 0.00 C ATOM 1248 O LEU A 81 -13.605 1.729 6.774 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.974 -1.011 8.754 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.329 -0.840 9.475 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.858 0.599 9.488 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -15.399 -1.764 8.894 1.00 0.00 C ATOM 0 H LEU A 81 -11.476 -2.017 7.124 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.823 -0.762 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.714 -2.069 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.213 -0.489 9.333 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.122 -1.115 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.813 0.631 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.142 1.245 9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.996 0.945 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.338 -1.614 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.542 -1.536 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.082 -2.801 9.002 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.584 1.458 7.715 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.231 2.870 7.662 1.00 0.00 C ATOM 1266 C HIS A 82 -9.757 3.149 7.392 1.00 0.00 C ATOM 1267 O HIS A 82 -9.373 4.317 7.313 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.685 3.537 8.954 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.955 3.073 10.189 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.937 3.739 10.830 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -11.218 1.934 10.898 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.589 3.015 11.906 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -10.335 1.894 11.982 1.00 0.00 N ATOM 0 H HIS A 82 -10.870 0.866 8.139 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.750 3.294 6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.557 4.615 8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.751 3.353 9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.972 1.197 10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.820 3.292 12.612 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.268 1.162 12.690 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.922 2.115 7.248 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.483 2.259 7.072 1.00 0.00 C ATOM 1283 C LYS A 83 -7.065 1.834 5.667 1.00 0.00 C ATOM 1284 O LYS A 83 -7.731 0.984 5.074 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.752 1.451 8.155 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.749 2.237 9.479 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.334 2.492 10.001 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.762 1.319 10.790 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.472 1.681 11.418 1.00 0.00 N ATOM 0 H LYS A 83 -9.236 1.144 7.251 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.207 3.308 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.241 0.487 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.729 1.246 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.257 3.190 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.316 1.684 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.677 2.709 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.342 3.378 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.471 1.013 11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.621 0.465 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.246 0.995 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.721 1.670 10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.542 2.633 11.831 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.976 2.400 5.135 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.480 2.080 3.804 1.00 0.00 C ATOM 1305 C PRO A 84 -4.817 0.696 3.812 1.00 0.00 C ATOM 1306 O PRO A 84 -4.181 0.329 4.803 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.493 3.207 3.484 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.984 3.655 4.854 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.128 3.369 5.812 1.00 0.00 C ATOM 0 HA PRO A 84 -6.263 2.023 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.678 2.856 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.980 4.025 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.085 3.109 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.726 4.714 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.757 2.972 6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.681 4.279 6.044 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.941 -0.055 2.711 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.357 -1.391 2.541 1.00 0.00 C ATOM 1319 C ILE A 85 -3.594 -1.452 1.214 1.00 0.00 C ATOM 1320 O ILE A 85 -3.888 -0.702 0.275 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.424 -2.523 2.664 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.355 -2.626 1.428 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.262 -2.356 3.920 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.983 -3.766 0.474 1.00 0.00 C ATOM 0 H ILE A 85 -5.464 0.258 1.893 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.651 -1.566 3.353 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.858 -3.453 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.381 -2.767 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.327 -1.683 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.996 -3.160 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.615 -2.392 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.777 -1.396 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.676 -3.778 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.968 -3.616 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.039 -4.717 1.004 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.682 -2.417 1.116 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.036 -2.889 -0.105 1.00 0.00 C ATOM 1338 C VAL A 86 -2.128 -4.408 -0.143 1.00 0.00 C ATOM 1339 O VAL A 86 -2.440 -5.043 0.866 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.552 -2.467 -0.164 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.430 -0.984 -0.483 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.238 -2.842 1.095 1.00 0.00 C ATOM 0 H VAL A 86 -2.354 -2.921 1.940 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.543 -2.445 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.096 -3.036 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.623 -0.705 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.894 -0.780 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.932 -0.403 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.272 -2.516 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.207 -2.354 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.211 -3.923 1.233 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.789 -4.980 -1.290 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.411 -6.368 -1.430 1.00 0.00 C ATOM 1354 C TRP A 87 0.090 -6.460 -1.178 1.00 0.00 C ATOM 1355 O TRP A 87 0.858 -5.646 -1.703 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.752 -6.827 -2.848 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.114 -6.409 -3.299 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.373 -5.430 -4.194 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.401 -6.786 -2.732 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.736 -5.288 -4.327 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.413 -6.024 -3.385 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.810 -7.639 -1.688 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.761 -6.083 -3.010 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.161 -7.717 -1.312 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.133 -6.940 -1.965 1.00 0.00 C ATOM 0 H TRP A 87 -1.771 -4.470 -2.173 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.942 -7.005 -0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.010 -6.426 -3.539 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.679 -7.913 -2.897 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.629 -4.851 -4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.186 -4.709 -5.036 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.076 -8.240 -1.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.500 -5.480 -3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.456 -8.381 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.168 -7.003 -1.661 1.00 0.00 H new ATOM 1376 N HIS A 88 0.508 -7.469 -0.420 1.00 0.00 N ATOM 1377 CA HIS A 88 1.889 -7.937 -0.385 1.00 0.00 C ATOM 1378 C HIS A 88 1.891 -9.372 -0.897 1.00 0.00 C ATOM 1379 O HIS A 88 0.835 -9.993 -1.019 1.00 0.00 O ATOM 1380 CB HIS A 88 2.486 -7.769 1.024 1.00 0.00 C ATOM 1381 CG HIS A 88 2.005 -8.713 2.095 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.820 -9.495 2.878 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.738 -8.807 2.607 1.00 0.00 C ATOM 1384 CE1 HIS A 88 2.072 -10.046 3.837 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.785 -9.696 3.689 1.00 0.00 N ATOM 0 H HIS A 88 -0.113 -7.993 0.197 1.00 0.00 H new ATOM 0 HA HIS A 88 2.537 -7.343 -1.030 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.568 -7.871 0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.285 -6.751 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.138 -8.290 2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.450 -10.684 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.003 -10.014 4.253 1.00 0.00 H new ATOM 1393 N ILE A 89 3.067 -9.920 -1.173 1.00 0.00 N ATOM 1394 CA ILE A 89 3.303 -11.336 -1.406 1.00 0.00 C ATOM 1395 C ILE A 89 4.540 -11.626 -0.582 1.00 0.00 C ATOM 1396 O ILE A 89 5.581 -11.021 -0.823 1.00 0.00 O ATOM 1397 CB ILE A 89 3.485 -11.642 -2.913 1.00 0.00 C ATOM 1398 CG1 ILE A 89 2.104 -11.839 -3.576 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.375 -12.882 -3.125 1.00 0.00 C ATOM 1400 CD1 ILE A 89 2.133 -11.898 -5.106 1.00 0.00 C ATOM 0 H ILE A 89 3.919 -9.364 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 89 2.466 -11.970 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 89 3.986 -10.795 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.663 -12.761 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.449 -11.024 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.485 -13.073 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.356 -12.705 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.914 -13.747 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.120 -12.038 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.541 -10.967 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.758 -12.731 -5.426 1.00 0.00 H new ATOM 1412 N ASN A 90 4.431 -12.506 0.411 1.00 0.00 N ATOM 1413 CA ASN A 90 5.532 -12.959 1.251 1.00 0.00 C ATOM 1414 C ASN A 90 6.255 -11.823 1.987 1.00 0.00 C ATOM 1415 O ASN A 90 7.367 -12.038 2.464 1.00 0.00 O ATOM 1416 CB ASN A 90 6.466 -13.938 0.498 1.00 0.00 C ATOM 1417 CG ASN A 90 7.443 -13.339 -0.511 1.00 0.00 C ATOM 1418 OD1 ASN A 90 7.433 -13.688 -1.687 1.00 0.00 O ATOM 1419 ND2 ASN A 90 8.356 -12.481 -0.096 1.00 0.00 N ATOM 0 H ASN A 90 3.541 -12.937 0.660 1.00 0.00 H new ATOM 0 HA ASN A 90 5.090 -13.540 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.043 -14.490 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.843 -14.663 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.046 -12.114 -0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.372 -12.185 0.880 1.00 0.00 H new ATOM 1426 N GLN A 91 5.637 -10.634 2.090 1.00 0.00 N ATOM 1427 CA GLN A 91 6.173 -9.391 2.681 1.00 0.00 C ATOM 1428 C GLN A 91 7.052 -8.625 1.685 1.00 0.00 C ATOM 1429 O GLN A 91 7.845 -7.779 2.081 1.00 0.00 O ATOM 1430 CB GLN A 91 6.908 -9.637 4.011 1.00 0.00 C ATOM 1431 CG GLN A 91 6.082 -10.434 5.043 1.00 0.00 C ATOM 1432 CD GLN A 91 6.995 -11.000 6.115 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.938 -10.625 7.288 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.870 -11.888 5.681 1.00 0.00 N ATOM 0 H GLN A 91 4.688 -10.505 1.740 1.00 0.00 H new ATOM 0 HA GLN A 91 5.313 -8.763 2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.835 -10.174 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.185 -8.676 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.332 -9.787 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.547 -11.243 4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.873 -12.163 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.543 -12.299 6.328 1.00 0.00 H new ATOM 1443 N ALA A 92 6.912 -8.920 0.397 1.00 0.00 N ATOM 1444 CA ALA A 92 7.559 -8.265 -0.719 1.00 0.00 C ATOM 1445 C ALA A 92 6.445 -7.812 -1.667 1.00 0.00 C ATOM 1446 O ALA A 92 5.261 -8.070 -1.426 1.00 0.00 O ATOM 1447 CB ALA A 92 8.538 -9.243 -1.384 1.00 0.00 C ATOM 0 H ALA A 92 6.300 -9.676 0.091 1.00 0.00 H new ATOM 0 HA ALA A 92 8.145 -7.399 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.027 -8.752 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.290 -9.555 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.993 -10.117 -1.741 1.00 0.00 H new ATOM 1453 N THR A 93 6.819 -7.121 -2.732 1.00 0.00 N ATOM 1454 CA THR A 93 5.922 -6.645 -3.767 1.00 0.00 C ATOM 1455 C THR A 93 6.590 -7.040 -5.085 1.00 0.00 C ATOM 1456 O THR A 93 7.813 -6.919 -5.233 1.00 0.00 O ATOM 1457 CB THR A 93 5.649 -5.146 -3.526 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.533 -4.690 -4.249 1.00 0.00 O ATOM 1459 CG2 THR A 93 6.837 -4.213 -3.753 1.00 0.00 C ATOM 0 H THR A 93 7.792 -6.868 -2.903 1.00 0.00 H new ATOM 0 HA THR A 93 4.924 -7.083 -3.776 1.00 0.00 H new ATOM 0 HB THR A 93 5.439 -5.098 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.393 -3.737 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.535 -3.184 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.649 -4.488 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.176 -4.300 -4.785 1.00 0.00 H new ATOM 1467 N THR A 94 5.831 -7.630 -6.000 1.00 0.00 N ATOM 1468 CA THR A 94 6.315 -8.243 -7.231 1.00 0.00 C ATOM 1469 C THR A 94 5.609 -7.583 -8.414 1.00 0.00 C ATOM 1470 O THR A 94 4.605 -6.902 -8.209 1.00 0.00 O ATOM 1471 CB THR A 94 6.120 -9.777 -7.179 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.753 -10.144 -7.064 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.864 -10.425 -6.004 1.00 0.00 C ATOM 0 H THR A 94 4.818 -7.697 -5.900 1.00 0.00 H new ATOM 0 HA THR A 94 7.386 -8.081 -7.352 1.00 0.00 H new ATOM 0 HB THR A 94 6.528 -10.138 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.246 -9.401 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.693 -11.502 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.932 -10.226 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.496 -10.009 -5.066 1.00 0.00 H new ATOM 1481 N LYS A 95 6.057 -7.788 -9.663 1.00 0.00 N ATOM 1482 CA LYS A 95 5.450 -7.101 -10.818 1.00 0.00 C ATOM 1483 C LYS A 95 3.928 -7.323 -10.896 1.00 0.00 C ATOM 1484 O LYS A 95 3.185 -6.422 -11.292 1.00 0.00 O ATOM 1485 CB LYS A 95 6.169 -7.467 -12.124 1.00 0.00 C ATOM 1486 CG LYS A 95 5.949 -6.379 -13.187 1.00 0.00 C ATOM 1487 CD LYS A 95 7.017 -6.401 -14.287 1.00 0.00 C ATOM 1488 CE LYS A 95 8.316 -5.710 -13.845 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.407 -6.645 -13.502 1.00 0.00 N ATOM 0 H LYS A 95 6.827 -8.415 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 95 5.587 -6.030 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.236 -7.589 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.799 -8.424 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.966 -6.512 -13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.949 -5.401 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.232 -7.433 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.629 -5.907 -15.178 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.654 -5.050 -14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.105 -5.081 -12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.997 -6.230 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.002 -7.543 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.991 -6.821 -14.344 1.00 0.00 H new ATOM 1503 N THR A 96 3.462 -8.483 -10.435 1.00 0.00 N ATOM 1504 CA THR A 96 2.080 -8.852 -10.164 1.00 0.00 C ATOM 1505 C THR A 96 1.392 -7.801 -9.273 1.00 0.00 C ATOM 1506 O THR A 96 0.455 -7.134 -9.719 1.00 0.00 O ATOM 1507 CB THR A 96 2.084 -10.270 -9.559 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.618 -11.186 -10.500 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.695 -10.780 -9.179 1.00 0.00 C ATOM 0 H THR A 96 4.099 -9.252 -10.225 1.00 0.00 H new ATOM 0 HA THR A 96 1.490 -8.871 -11.080 1.00 0.00 H new ATOM 0 HB THR A 96 2.685 -10.202 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.622 -12.087 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.778 -11.783 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.252 -10.113 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.062 -10.808 -10.066 1.00 0.00 H new ATOM 1517 N THR A 97 1.856 -7.633 -8.034 1.00 0.00 N ATOM 1518 CA THR A 97 1.247 -6.808 -6.986 1.00 0.00 C ATOM 1519 C THR A 97 1.649 -5.330 -7.115 1.00 0.00 C ATOM 1520 O THR A 97 1.045 -4.468 -6.484 1.00 0.00 O ATOM 1521 CB THR A 97 1.663 -7.381 -5.608 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.990 -7.876 -5.616 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.789 -8.557 -5.177 1.00 0.00 C ATOM 0 H THR A 97 2.710 -8.091 -7.717 1.00 0.00 H new ATOM 0 HA THR A 97 0.162 -6.841 -7.090 1.00 0.00 H new ATOM 0 HB THR A 97 1.555 -6.541 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.214 -8.227 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.122 -8.921 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.249 -8.232 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.869 -9.358 -5.912 1.00 0.00 H new ATOM 1531 N PHE A 98 2.607 -5.008 -7.978 1.00 0.00 N ATOM 1532 CA PHE A 98 3.140 -3.683 -8.258 1.00 0.00 C ATOM 1533 C PHE A 98 2.062 -2.840 -8.940 1.00 0.00 C ATOM 1534 O PHE A 98 1.724 -1.764 -8.458 1.00 0.00 O ATOM 1535 CB PHE A 98 4.409 -3.843 -9.112 1.00 0.00 C ATOM 1536 CG PHE A 98 4.669 -2.746 -10.118 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.302 -1.560 -9.720 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.230 -2.903 -11.446 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.469 -0.509 -10.639 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.381 -1.849 -12.361 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.992 -0.651 -11.953 1.00 0.00 C ATOM 0 H PHE A 98 3.065 -5.723 -8.543 1.00 0.00 H new ATOM 0 HA PHE A 98 3.418 -3.159 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.268 -3.908 -8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.348 -4.792 -9.645 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.661 -1.454 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.778 -3.832 -11.760 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.962 0.403 -10.336 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.028 -1.959 -13.376 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.095 0.165 -12.653 1.00 0.00 H new ATOM 1551 N LYS A 99 1.465 -3.348 -10.023 1.00 0.00 N ATOM 1552 CA LYS A 99 0.365 -2.695 -10.738 1.00 0.00 C ATOM 1553 C LYS A 99 -0.742 -2.226 -9.797 1.00 0.00 C ATOM 1554 O LYS A 99 -1.116 -1.055 -9.879 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.201 -3.625 -11.814 1.00 0.00 C ATOM 1556 CG LYS A 99 0.527 -3.481 -13.154 1.00 0.00 C ATOM 1557 CD LYS A 99 -0.237 -2.552 -14.112 1.00 0.00 C ATOM 1558 CE LYS A 99 0.286 -2.775 -15.531 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.224 -4.026 -16.132 1.00 0.00 N ATOM 0 H LYS A 99 1.738 -4.241 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 99 0.775 -1.806 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.127 -4.658 -11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.260 -3.411 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.529 -3.087 -12.985 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.644 -4.463 -13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.306 -2.759 -14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.101 -1.511 -13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.002 -1.931 -16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.376 -2.802 -15.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.072 -4.004 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.282 -4.838 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.241 -4.117 -15.934 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.319 -3.085 -8.944 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.354 -2.627 -8.035 1.00 0.00 C ATOM 1575 C PRO A 100 -1.783 -1.721 -6.936 1.00 0.00 C ATOM 1576 O PRO A 100 -2.481 -0.798 -6.506 1.00 0.00 O ATOM 1577 CB PRO A 100 -3.028 -3.898 -7.512 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.967 -4.980 -7.661 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.160 -4.530 -8.874 1.00 0.00 C ATOM 0 HA PRO A 100 -3.091 -1.993 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.337 -3.785 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.923 -4.138 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.343 -5.055 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.415 -5.961 -7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.110 -4.803 -8.768 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.523 -5.008 -9.784 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.519 -1.901 -6.532 1.00 0.00 N ATOM 1588 CA ASN A 101 0.146 -1.025 -5.585 1.00 0.00 C ATOM 1589 C ASN A 101 0.248 0.402 -6.119 1.00 0.00 C ATOM 1590 O ASN A 101 0.246 1.322 -5.311 1.00 0.00 O ATOM 1591 CB ASN A 101 1.557 -1.540 -5.256 1.00 0.00 C ATOM 1592 CG ASN A 101 1.601 -2.289 -3.940 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.434 -1.711 -2.877 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.743 -3.600 -3.959 1.00 0.00 N ATOM 0 H ASN A 101 0.067 -2.668 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.459 -1.020 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.898 -2.196 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.249 -0.699 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.713 -4.129 -3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.883 -4.085 -4.845 1.00 0.00 H new ATOM 1601 N THR A 102 0.341 0.647 -7.434 1.00 0.00 N ATOM 1602 CA THR A 102 0.520 2.027 -7.894 1.00 0.00 C ATOM 1603 C THR A 102 -0.717 2.890 -7.587 1.00 0.00 C ATOM 1604 O THR A 102 -0.585 4.065 -7.245 1.00 0.00 O ATOM 1605 CB THR A 102 0.966 2.125 -9.367 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.116 2.154 -10.276 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.886 1.006 -9.850 1.00 0.00 C ATOM 0 H THR A 102 0.297 -0.060 -8.168 1.00 0.00 H new ATOM 0 HA THR A 102 1.349 2.440 -7.319 1.00 0.00 H new ATOM 0 HB THR A 102 1.515 3.067 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.228 2.218 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.140 1.170 -10.897 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.798 1.001 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.378 0.047 -9.746 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.917 2.310 -7.680 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.173 2.920 -7.263 1.00 0.00 C ATOM 1617 C TRP A 103 -3.140 3.126 -5.751 1.00 0.00 C ATOM 1618 O TRP A 103 -3.347 4.233 -5.261 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.333 1.995 -7.645 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.637 1.867 -9.104 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -4.142 0.920 -9.929 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.559 2.658 -9.910 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.686 1.071 -11.188 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.616 2.091 -11.217 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.389 3.769 -9.655 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.496 2.576 -12.199 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.262 4.275 -10.633 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.333 3.662 -11.894 1.00 0.00 C ATOM 0 H TRP A 103 -2.040 1.372 -8.061 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.310 3.882 -7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.118 1.001 -7.254 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.232 2.349 -7.140 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.429 0.160 -9.647 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.433 0.501 -11.995 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.353 4.242 -8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.529 2.119 -13.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.878 5.135 -10.415 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -8.033 4.026 -12.631 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.806 2.085 -4.997 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.633 2.174 -3.559 1.00 0.00 C ATOM 1641 C CYS A 104 -1.657 3.288 -3.142 1.00 0.00 C ATOM 1642 O CYS A 104 -1.915 3.954 -2.140 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.157 0.809 -3.083 1.00 0.00 C ATOM 1644 SG CYS A 104 -3.547 -0.347 -2.900 1.00 0.00 S ATOM 0 H CYS A 104 -2.647 1.150 -5.373 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.581 2.442 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -1.436 0.405 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.640 0.914 -2.129 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.755 -0.579 -1.638 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.577 3.551 -3.889 1.00 0.00 N ATOM 1651 CA LEU A 105 0.312 4.664 -3.559 1.00 0.00 C ATOM 1652 C LEU A 105 -0.416 5.981 -3.784 1.00 0.00 C ATOM 1653 O LEU A 105 -0.313 6.868 -2.945 1.00 0.00 O ATOM 1654 CB LEU A 105 1.607 4.607 -4.383 1.00 0.00 C ATOM 1655 CG LEU A 105 2.550 3.493 -3.903 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.625 3.293 -4.966 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.189 3.830 -2.553 1.00 0.00 C ATOM 0 H LEU A 105 -0.303 3.016 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 105 0.593 4.586 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.361 4.446 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.119 5.567 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 105 1.978 2.577 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.309 2.506 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.157 3.009 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.179 4.222 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.848 3.017 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.766 4.750 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.408 3.963 -1.804 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.211 6.088 -4.854 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.997 7.296 -5.127 1.00 0.00 C ATOM 1671 C ARG A 106 -3.067 7.551 -4.062 1.00 0.00 C ATOM 1672 O ARG A 106 -3.520 8.684 -3.940 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.629 7.219 -6.522 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.534 7.326 -7.578 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.078 7.332 -9.007 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.283 8.233 -9.856 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.701 8.818 -10.982 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.830 8.416 -11.559 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.997 9.797 -11.542 1.00 0.00 N ATOM 0 H ARG A 106 -1.327 5.349 -5.548 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.310 8.141 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.171 6.280 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.354 8.023 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.963 8.239 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.843 6.491 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.054 6.322 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.120 7.650 -9.004 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.327 8.428 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.376 7.662 -11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.150 8.862 -12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.127 10.110 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.327 10.235 -12.402 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.461 6.543 -3.276 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.278 6.772 -2.090 1.00 0.00 C ATOM 1695 C CYS A 107 -3.463 7.463 -0.994 1.00 0.00 C ATOM 1696 O CYS A 107 -4.021 8.299 -0.293 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.858 5.454 -1.554 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.521 5.185 -2.218 1.00 0.00 S ATOM 0 H CYS A 107 -3.226 5.565 -3.443 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.103 7.422 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.209 4.623 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.893 5.480 -0.465 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.996 4.066 -1.757 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.187 7.111 -0.794 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.369 7.714 0.263 1.00 0.00 C ATOM 1706 C LEU A 108 -0.892 9.118 -0.104 1.00 0.00 C ATOM 1707 O LEU A 108 -0.435 9.853 0.768 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.125 6.866 0.554 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.391 5.432 1.029 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.970 4.778 1.271 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.243 5.385 2.298 1.00 0.00 C ATOM 0 H LEU A 108 -1.699 6.410 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.013 7.765 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.482 6.822 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.470 7.375 1.312 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.959 4.897 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.826 3.753 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.542 4.775 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.513 5.339 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.402 4.347 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.730 5.915 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.206 5.859 2.108 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.953 9.499 -1.379 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.595 10.819 -1.851 1.00 0.00 C ATOM 1725 C TRP A 109 -1.470 11.863 -1.163 1.00 0.00 C ATOM 1726 O TRP A 109 -2.579 11.572 -0.703 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.738 10.823 -3.377 1.00 0.00 C ATOM 1728 CG TRP A 109 0.304 10.057 -4.142 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.264 9.249 -3.631 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.485 10.008 -5.584 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.990 8.678 -4.655 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.541 9.102 -5.885 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.181 10.609 -6.665 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.920 8.813 -7.201 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.220 10.360 -7.989 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.264 9.455 -8.263 1.00 0.00 C ATOM 0 H TRP A 109 -1.262 8.876 -2.125 1.00 0.00 H new ATOM 0 HA TRP A 109 0.436 11.073 -1.605 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.717 10.417 -3.631 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.724 11.858 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.435 9.078 -2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.761 8.025 -4.518 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.013 11.272 -6.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.710 8.103 -7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.277 10.867 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.558 9.256 -9.283 1.00 0.00 H new ATOM 1747 N SER A 110 -0.985 13.096 -1.117 1.00 0.00 N ATOM 1748 CA SER A 110 -1.648 14.229 -0.492 1.00 0.00 C ATOM 1749 C SER A 110 -2.272 15.084 -1.607 1.00 0.00 C ATOM 1750 O SER A 110 -2.429 14.596 -2.731 1.00 0.00 O ATOM 1751 CB SER A 110 -0.623 14.979 0.363 1.00 0.00 C ATOM 1752 OG SER A 110 0.201 14.097 1.124 1.00 0.00 O ATOM 0 H SER A 110 -0.085 13.342 -1.530 1.00 0.00 H new ATOM 0 HA SER A 110 -2.455 13.930 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.006 15.592 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.144 15.658 1.038 1.00 0.00 H new ATOM 0 HG SER A 110 0.840 14.620 1.652 1.00 0.00 H new ATOM 1758 N THR A 111 -2.673 16.322 -1.331 1.00 0.00 N ATOM 1759 CA THR A 111 -3.191 17.249 -2.328 1.00 0.00 C ATOM 1760 C THR A 111 -2.401 18.553 -2.202 1.00 0.00 C ATOM 1761 O THR A 111 -2.701 19.366 -1.327 1.00 0.00 O ATOM 1762 CB THR A 111 -4.713 17.449 -2.151 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.064 17.814 -0.825 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.519 16.200 -2.515 1.00 0.00 C ATOM 0 H THR A 111 -2.646 16.715 -0.390 1.00 0.00 H new ATOM 0 HA THR A 111 -3.062 16.854 -3.336 1.00 0.00 H new ATOM 0 HB THR A 111 -4.961 18.260 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.417 18.465 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.581 16.398 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.336 15.940 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.215 15.371 -1.875 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.374 18.771 -3.031 1.00 0.00 N ATOM 1773 CA LYS A 112 -0.650 20.040 -3.041 1.00 0.00 C ATOM 1774 C LYS A 112 -0.486 20.515 -4.481 1.00 0.00 C ATOM 1775 O LYS A 112 0.317 19.922 -5.208 1.00 0.00 O ATOM 1776 CB LYS A 112 0.668 19.932 -2.275 1.00 0.00 C ATOM 1777 CG LYS A 112 1.524 21.206 -2.321 1.00 0.00 C ATOM 1778 CD LYS A 112 1.008 22.349 -1.444 1.00 0.00 C ATOM 1779 CE LYS A 112 1.854 23.586 -1.737 1.00 0.00 C ATOM 1780 NZ LYS A 112 1.611 24.696 -0.795 1.00 0.00 N ATOM 0 H LYS A 112 -1.028 18.084 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.225 20.801 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.453 19.689 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.246 19.103 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.539 20.958 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.581 21.553 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.043 22.547 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.076 22.081 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.909 23.313 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.647 23.927 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.215 25.504 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.612 24.981 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.835 24.386 0.172 1.00 0.00 H new ATOM 1794 N PRO A 113 -1.236 21.559 -4.874 1.00 0.00 N ATOM 1795 CA PRO A 113 -1.081 22.244 -6.144 1.00 0.00 C ATOM 1796 C PRO A 113 0.384 22.582 -6.413 1.00 0.00 C ATOM 1797 O PRO A 113 1.059 23.175 -5.562 1.00 0.00 O ATOM 1798 CB PRO A 113 -1.925 23.517 -6.031 1.00 0.00 C ATOM 1799 CG PRO A 113 -3.012 23.152 -5.025 1.00 0.00 C ATOM 1800 CD PRO A 113 -2.298 22.176 -4.093 1.00 0.00 C ATOM 0 HA PRO A 113 -1.405 21.619 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -1.329 24.362 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.351 23.800 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.378 24.028 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -3.873 22.692 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.890 22.696 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.990 21.423 -3.716 1.00 0.00 H new ATOM 1808 N VAL A 114 0.867 22.234 -7.599 1.00 0.00 N ATOM 1809 CA VAL A 114 2.163 22.643 -8.099 1.00 0.00 C ATOM 1810 C VAL A 114 2.046 22.665 -9.603 1.00 0.00 C ATOM 1811 O VAL A 114 2.157 21.643 -10.268 1.00 0.00 O ATOM 1812 CB VAL A 114 3.315 21.779 -7.535 1.00 0.00 C ATOM 1813 CG1 VAL A 114 3.253 20.279 -7.864 1.00 0.00 C ATOM 1814 CG2 VAL A 114 4.681 22.343 -7.948 1.00 0.00 C ATOM 0 H VAL A 114 0.351 21.645 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 114 2.437 23.640 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 114 3.181 21.842 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.109 19.773 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.332 19.856 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 114 3.273 20.143 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.473 21.716 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.755 22.356 -9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.787 23.358 -7.565 1.00 0.00 H new ATOM 1824 N ASP A 115 1.710 23.831 -10.139 1.00 0.00 N ATOM 1825 CA ASP A 115 1.815 24.191 -11.551 1.00 0.00 C ATOM 1826 C ASP A 115 0.752 23.553 -12.445 1.00 0.00 C ATOM 1827 O ASP A 115 0.498 24.022 -13.554 1.00 0.00 O ATOM 1828 CB ASP A 115 3.190 23.787 -12.079 1.00 0.00 C ATOM 1829 CG ASP A 115 3.606 24.685 -13.220 1.00 0.00 C ATOM 1830 OD1 ASP A 115 3.813 25.886 -12.937 1.00 0.00 O ATOM 1831 OD2 ASP A 115 3.766 24.157 -14.344 1.00 0.00 O ATOM 0 H ASP A 115 1.337 24.593 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 115 1.661 25.269 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.925 23.845 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.166 22.750 -12.415 1.00 0.00 H new ATOM 1836 N THR A 116 0.113 22.502 -11.936 1.00 0.00 N ATOM 1837 CA THR A 116 -0.660 21.507 -12.665 1.00 0.00 C ATOM 1838 C THR A 116 0.041 21.185 -13.984 1.00 0.00 C ATOM 1839 O THR A 116 1.238 20.819 -13.915 1.00 0.00 O ATOM 1840 CB THR A 116 -2.130 21.942 -12.778 1.00 0.00 C ATOM 1841 OG1 THR A 116 -2.544 22.576 -11.580 1.00 0.00 O ATOM 1842 CG2 THR A 116 -3.031 20.720 -12.968 1.00 0.00 C ATOM 0 H THR A 116 0.124 22.313 -10.934 1.00 0.00 H new ATOM 0 HA THR A 116 -0.702 20.563 -12.121 1.00 0.00 H new ATOM 0 HB THR A 116 -2.211 22.620 -13.628 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.481 22.851 -11.662 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.069 21.042 -13.047 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.744 20.195 -13.879 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.922 20.051 -12.114 1.00 0.00 H new TER 1850 THR A 116