USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 890 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 23 LYS NZ :NH3+ 142:sc= -0.0123 (180deg=-1.61!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 CYS SG : rot 8:sc= -2.39! USER MOD Set 2.2: A 14 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.00375 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.481 X(o=-0.48,f=-0.95) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 60:sc= -1.96! USER MOD Single : A 41 CYS SG : rot -150:sc= -2.69 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 175:sc= 0 (180deg=-0.0583) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.542 (180deg=-0.542) USER MOD Single : A 82 THR OG1 : rot 99:sc= -0.154 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 170:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 70:sc= 0.0854 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.16) USER MOD Single : A 112 THR OG1 : rot 86:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.931 9.134 17.348 1.00 0.00 N ATOM 2 CA ALA A 1 -11.011 8.376 16.536 1.00 0.00 C ATOM 3 C ALA A 1 -11.069 8.865 15.100 1.00 0.00 C ATOM 4 O ALA A 1 -12.128 9.043 14.507 1.00 0.00 O ATOM 5 CB ALA A 1 -11.314 6.895 16.640 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.341 8.516 18.077 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.425 9.920 17.804 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.691 9.514 16.749 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.995 8.526 16.901 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.612 6.336 16.022 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.218 6.576 17.678 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.331 6.707 16.295 1.00 0.00 H new ATOM 12 N GLU A 2 -9.887 8.945 14.410 1.00 0.00 N ATOM 13 CA GLU A 2 -9.758 9.586 13.058 1.00 0.00 C ATOM 14 C GLU A 2 -8.484 9.065 12.339 1.00 0.00 C ATOM 15 O GLU A 2 -7.376 9.614 12.416 1.00 0.00 O ATOM 16 CB GLU A 2 -9.835 11.131 13.357 1.00 0.00 C ATOM 17 CG GLU A 2 -9.983 12.028 12.139 1.00 0.00 C ATOM 18 CD GLU A 2 -10.237 13.445 12.474 1.00 0.00 C ATOM 19 OE1 GLU A 2 -11.342 13.991 12.292 1.00 0.00 O ATOM 20 OE2 GLU A 2 -9.168 14.044 13.053 1.00 0.00 O ATOM 0 H GLU A 2 -9.008 8.572 14.769 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.541 9.337 12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.678 11.312 14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.933 11.424 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.076 11.963 11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.802 11.657 11.522 1.00 0.00 H new ATOM 28 N GLU A 3 -8.605 7.983 11.591 1.00 0.00 N ATOM 29 CA GLU A 3 -7.448 7.279 10.914 1.00 0.00 C ATOM 30 C GLU A 3 -7.845 6.271 9.778 1.00 0.00 C ATOM 31 O GLU A 3 -9.013 5.811 9.646 1.00 0.00 O ATOM 32 CB GLU A 3 -6.580 6.558 11.974 1.00 0.00 C ATOM 33 CG GLU A 3 -7.220 5.323 12.732 1.00 0.00 C ATOM 34 CD GLU A 3 -6.247 4.490 13.626 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.258 3.952 13.124 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.689 4.429 14.923 1.00 0.00 O ATOM 0 H GLU A 3 -9.505 7.537 11.413 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.888 8.068 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.668 6.216 11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.283 7.294 12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.034 5.688 13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.662 4.656 11.991 1.00 0.00 H new ATOM 44 N GLY A 4 -6.783 5.901 9.030 1.00 0.00 N ATOM 45 CA GLY A 4 -6.632 4.634 8.292 1.00 0.00 C ATOM 46 C GLY A 4 -5.930 3.512 9.096 1.00 0.00 C ATOM 47 O GLY A 4 -5.590 3.704 10.286 1.00 0.00 O ATOM 0 H GLY A 4 -5.971 6.508 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.618 4.284 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.064 4.822 7.381 1.00 0.00 H new ATOM 51 N GLN A 5 -5.704 2.401 8.487 1.00 0.00 N ATOM 52 CA GLN A 5 -5.227 1.185 9.183 1.00 0.00 C ATOM 53 C GLN A 5 -4.509 0.225 8.204 1.00 0.00 C ATOM 54 O GLN A 5 -4.787 0.095 6.982 1.00 0.00 O ATOM 55 CB GLN A 5 -6.459 0.442 9.867 1.00 0.00 C ATOM 56 CG GLN A 5 -7.519 -0.128 8.935 1.00 0.00 C ATOM 57 CD GLN A 5 -8.846 -0.254 9.658 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.787 0.459 9.373 1.00 0.00 O ATOM 59 NE2 GLN A 5 -8.972 -1.268 10.492 1.00 0.00 N ATOM 0 H GLN A 5 -5.836 2.276 7.483 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.510 1.486 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.069 -0.373 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.945 1.143 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.632 0.518 8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.203 -1.105 8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.164 -1.850 10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.877 -1.470 10.916 1.00 0.00 H new ATOM 68 N VAL A 6 -3.675 -0.607 8.807 1.00 0.00 N ATOM 69 CA VAL A 6 -2.578 -1.381 8.240 1.00 0.00 C ATOM 70 C VAL A 6 -2.857 -2.897 8.643 1.00 0.00 C ATOM 71 O VAL A 6 -2.857 -3.271 9.796 1.00 0.00 O ATOM 72 CB VAL A 6 -1.222 -0.890 8.671 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.030 -1.811 8.391 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.907 0.529 8.101 1.00 0.00 C ATOM 0 H VAL A 6 -3.757 -0.775 9.810 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.547 -1.271 7.156 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.325 -0.866 9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.885 -1.340 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.175 -2.761 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.049 -1.988 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.081 0.845 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.927 0.496 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.655 1.238 8.456 1.00 0.00 H new ATOM 84 N ILE A 7 -2.955 -3.686 7.557 1.00 0.00 N ATOM 85 CA ILE A 7 -3.505 -5.053 7.536 1.00 0.00 C ATOM 86 C ILE A 7 -2.419 -5.845 6.705 1.00 0.00 C ATOM 87 O ILE A 7 -2.147 -5.640 5.487 1.00 0.00 O ATOM 88 CB ILE A 7 -4.968 -5.008 6.995 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.908 -6.170 7.456 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.127 -4.762 5.505 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.547 -7.631 7.199 1.00 0.00 C ATOM 0 H ILE A 7 -2.642 -3.377 6.637 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.642 -5.560 8.491 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.312 -4.104 7.499 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.044 -6.061 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.879 -5.996 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.186 -4.752 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.682 -3.801 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.627 -5.555 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.331 -8.275 7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.450 -7.798 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.602 -7.864 7.690 1.00 0.00 H new ATOM 103 N ALA A 8 -1.938 -6.914 7.336 1.00 0.00 N ATOM 104 CA ALA A 8 -1.208 -8.006 6.689 1.00 0.00 C ATOM 105 C ALA A 8 -1.949 -8.955 5.786 1.00 0.00 C ATOM 106 O ALA A 8 -3.125 -9.309 5.996 1.00 0.00 O ATOM 107 CB ALA A 8 -0.402 -8.777 7.817 1.00 0.00 C ATOM 0 H ALA A 8 -2.048 -7.050 8.341 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.568 -7.515 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.155 -9.600 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.292 -8.091 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.099 -9.171 8.557 1.00 0.00 H new ATOM 113 N CYS A 9 -1.237 -9.301 4.711 1.00 0.00 N ATOM 114 CA CYS A 9 -1.804 -9.972 3.547 1.00 0.00 C ATOM 115 C CYS A 9 -0.666 -10.933 2.977 1.00 0.00 C ATOM 116 O CYS A 9 0.546 -10.696 2.894 1.00 0.00 O ATOM 117 CB CYS A 9 -2.188 -8.949 2.441 1.00 0.00 C ATOM 118 SG CYS A 9 -3.703 -8.037 2.943 1.00 0.00 S ATOM 0 H CYS A 9 -0.237 -9.119 4.627 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.705 -10.515 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.368 -8.250 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.359 -9.466 1.497 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.005 -8.340 4.171 1.00 0.00 H new ATOM 124 N HIS A 10 -1.192 -12.127 2.751 1.00 0.00 N ATOM 125 CA HIS A 10 -0.407 -13.366 2.403 1.00 0.00 C ATOM 126 C HIS A 10 -0.978 -14.342 1.373 1.00 0.00 C ATOM 127 O HIS A 10 -0.378 -15.369 1.102 1.00 0.00 O ATOM 128 CB HIS A 10 -0.074 -14.100 3.725 1.00 0.00 C ATOM 129 CG HIS A 10 0.950 -13.493 4.745 1.00 0.00 C ATOM 130 ND1 HIS A 10 2.313 -13.242 4.551 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.597 -12.850 5.938 1.00 0.00 C ATOM 132 CE1 HIS A 10 2.536 -12.404 5.588 1.00 0.00 C ATOM 133 NE2 HIS A 10 1.625 -12.123 6.546 1.00 0.00 N ATOM 0 H HIS A 10 -2.197 -12.296 2.798 1.00 0.00 H new ATOM 0 HA HIS A 10 0.469 -12.992 1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.014 -14.239 4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.290 -15.092 3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.396 -12.911 6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.504 -11.929 5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.671 -11.576 7.406 1.00 0.00 H new ATOM 141 N THR A 11 -2.191 -14.137 0.861 1.00 0.00 N ATOM 142 CA THR A 11 -3.055 -15.203 0.241 1.00 0.00 C ATOM 143 C THR A 11 -3.980 -14.637 -0.875 1.00 0.00 C ATOM 144 O THR A 11 -3.957 -13.409 -1.059 1.00 0.00 O ATOM 145 CB THR A 11 -3.870 -15.992 1.395 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.835 -15.108 1.995 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.073 -16.733 2.436 1.00 0.00 C ATOM 0 H THR A 11 -2.631 -13.217 0.854 1.00 0.00 H new ATOM 0 HA THR A 11 -2.409 -15.923 -0.261 1.00 0.00 H new ATOM 0 HB THR A 11 -4.357 -16.811 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.329 -15.588 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.752 -17.212 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.459 -17.492 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.431 -16.032 2.969 1.00 0.00 H new ATOM 155 N VAL A 12 -4.971 -15.376 -1.403 1.00 0.00 N ATOM 156 CA VAL A 12 -6.246 -14.776 -2.021 1.00 0.00 C ATOM 157 C VAL A 12 -7.197 -13.817 -1.205 1.00 0.00 C ATOM 158 O VAL A 12 -7.994 -13.084 -1.822 1.00 0.00 O ATOM 159 CB VAL A 12 -6.965 -15.979 -2.838 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.452 -17.158 -1.918 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.139 -15.547 -3.765 1.00 0.00 C ATOM 0 H VAL A 12 -4.947 -16.395 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.909 -13.964 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.157 -16.330 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.923 -17.927 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.598 -17.586 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.173 -16.780 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.550 -16.424 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.917 -15.071 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.773 -14.843 -4.512 1.00 0.00 H new ATOM 171 N ASP A 13 -6.998 -13.788 0.115 1.00 0.00 N ATOM 172 CA ASP A 13 -7.667 -12.766 0.987 1.00 0.00 C ATOM 173 C ASP A 13 -7.612 -11.254 0.555 1.00 0.00 C ATOM 174 O ASP A 13 -8.630 -10.571 0.393 1.00 0.00 O ATOM 175 CB ASP A 13 -7.292 -13.018 2.481 1.00 0.00 C ATOM 176 CG ASP A 13 -7.698 -14.307 3.189 1.00 0.00 C ATOM 177 OD1 ASP A 13 -8.500 -15.142 2.753 1.00 0.00 O ATOM 178 OD2 ASP A 13 -7.130 -14.339 4.425 1.00 0.00 O ATOM 0 H ASP A 13 -6.394 -14.440 0.615 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.732 -12.941 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.207 -12.942 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.709 -12.193 3.058 1.00 0.00 H new ATOM 184 N THR A 14 -6.371 -10.874 0.232 1.00 0.00 N ATOM 185 CA THR A 14 -6.075 -9.567 -0.437 1.00 0.00 C ATOM 186 C THR A 14 -6.696 -9.369 -1.902 1.00 0.00 C ATOM 187 O THR A 14 -7.095 -8.291 -2.321 1.00 0.00 O ATOM 188 CB THR A 14 -4.612 -9.089 -0.430 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.517 -7.751 -0.773 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.650 -9.825 -1.382 1.00 0.00 C ATOM 0 H THR A 14 -5.544 -11.441 0.416 1.00 0.00 H new ATOM 0 HA THR A 14 -6.617 -8.916 0.249 1.00 0.00 H new ATOM 0 HB THR A 14 -4.309 -9.299 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.604 -7.553 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.650 -9.401 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.621 -10.883 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.997 -9.712 -2.409 1.00 0.00 H new ATOM 198 N TRP A 15 -6.850 -10.482 -2.693 1.00 0.00 N ATOM 199 CA TRP A 15 -7.680 -10.471 -3.904 1.00 0.00 C ATOM 200 C TRP A 15 -9.189 -9.986 -3.746 1.00 0.00 C ATOM 201 O TRP A 15 -9.686 -9.159 -4.504 1.00 0.00 O ATOM 202 CB TRP A 15 -7.530 -11.821 -4.708 1.00 0.00 C ATOM 203 CG TRP A 15 -6.556 -11.869 -5.851 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.350 -12.504 -5.812 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.672 -11.279 -7.124 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.658 -12.360 -7.030 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.489 -11.534 -7.843 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.638 -10.399 -7.616 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.215 -10.901 -9.038 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.327 -9.679 -8.818 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.135 -9.941 -9.533 1.00 0.00 C ATOM 0 H TRP A 15 -6.406 -11.380 -2.499 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.264 -9.662 -4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.248 -12.600 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.513 -12.086 -5.098 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.974 -13.047 -4.958 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.754 -12.762 -7.278 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.583 -10.265 -7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.315 -11.133 -9.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.012 -8.927 -9.181 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.926 -9.413 -10.452 1.00 0.00 H new ATOM 222 N LYS A 16 -9.837 -10.427 -2.666 1.00 0.00 N ATOM 223 CA LYS A 16 -11.093 -9.736 -2.102 1.00 0.00 C ATOM 224 C LYS A 16 -10.823 -8.205 -1.612 1.00 0.00 C ATOM 225 O LYS A 16 -11.481 -7.260 -2.089 1.00 0.00 O ATOM 226 CB LYS A 16 -11.765 -10.540 -0.917 1.00 0.00 C ATOM 227 CG LYS A 16 -12.376 -11.916 -1.241 1.00 0.00 C ATOM 228 CD LYS A 16 -13.207 -12.531 -0.126 1.00 0.00 C ATOM 229 CE LYS A 16 -12.396 -12.921 1.108 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.141 -13.397 2.284 1.00 0.00 N ATOM 0 H LYS A 16 -9.548 -11.251 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.781 -9.714 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.014 -10.681 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.551 -9.916 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.002 -11.819 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.569 -12.604 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.981 -11.823 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.714 -13.416 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.693 -13.701 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.806 -12.056 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.474 -13.627 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.793 -12.654 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.683 -14.247 2.030 1.00 0.00 H new ATOM 243 N GLU A 17 -9.854 -7.977 -0.726 1.00 0.00 N ATOM 244 CA GLU A 17 -9.429 -6.653 -0.256 1.00 0.00 C ATOM 245 C GLU A 17 -8.936 -5.451 -1.146 1.00 0.00 C ATOM 246 O GLU A 17 -9.562 -4.379 -1.237 1.00 0.00 O ATOM 247 CB GLU A 17 -8.469 -6.750 0.989 1.00 0.00 C ATOM 248 CG GLU A 17 -8.988 -7.622 2.142 1.00 0.00 C ATOM 249 CD GLU A 17 -8.008 -7.763 3.313 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.775 -8.902 3.783 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.404 -6.582 3.754 1.00 0.00 O ATOM 0 H GLU A 17 -9.322 -8.735 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.458 -6.327 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.508 -7.145 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.287 -5.744 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.921 -7.197 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.221 -8.614 1.756 1.00 0.00 H new ATOM 259 N HIS A 18 -7.795 -5.650 -1.843 1.00 0.00 N ATOM 260 CA HIS A 18 -7.235 -4.732 -2.824 1.00 0.00 C ATOM 261 C HIS A 18 -8.227 -4.278 -3.984 1.00 0.00 C ATOM 262 O HIS A 18 -8.545 -3.134 -4.170 1.00 0.00 O ATOM 263 CB HIS A 18 -5.917 -5.399 -3.254 1.00 0.00 C ATOM 264 CG HIS A 18 -5.064 -4.492 -4.217 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.366 -4.525 -5.615 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.168 -3.486 -3.958 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.528 -3.493 -6.005 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.703 -2.871 -5.110 1.00 0.00 N ATOM 0 H HIS A 18 -7.228 -6.490 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.044 -3.746 -2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.328 -5.636 -2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.138 -6.343 -3.752 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.997 -5.119 -6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.858 -3.203 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.527 -3.174 -7.037 1.00 0.00 H new ATOM 276 N PHE A 19 -8.650 -5.299 -4.766 1.00 0.00 N ATOM 277 CA PHE A 19 -9.680 -5.183 -5.862 1.00 0.00 C ATOM 278 C PHE A 19 -11.043 -4.475 -5.485 1.00 0.00 C ATOM 279 O PHE A 19 -11.384 -3.460 -6.073 1.00 0.00 O ATOM 280 CB PHE A 19 -9.751 -6.476 -6.715 1.00 0.00 C ATOM 281 CG PHE A 19 -9.930 -6.322 -8.294 1.00 0.00 C ATOM 282 CD1 PHE A 19 -8.842 -5.987 -9.041 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.198 -6.425 -8.875 1.00 0.00 C ATOM 284 CE1 PHE A 19 -8.978 -5.755 -10.385 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.240 -6.290 -10.297 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.167 -6.018 -11.060 1.00 0.00 C ATOM 0 H PHE A 19 -8.288 -6.247 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.309 -4.420 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.839 -7.045 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.580 -7.077 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.872 -5.904 -8.574 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.088 -6.596 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.139 -5.357 -10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.193 -6.414 -10.789 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.224 -6.004 -12.138 1.00 0.00 H new ATOM 296 N GLU A 20 -11.734 -5.019 -4.506 1.00 0.00 N ATOM 297 CA GLU A 20 -13.049 -4.577 -3.953 1.00 0.00 C ATOM 298 C GLU A 20 -13.062 -3.132 -3.336 1.00 0.00 C ATOM 299 O GLU A 20 -13.845 -2.341 -3.825 1.00 0.00 O ATOM 300 CB GLU A 20 -13.846 -5.570 -3.059 1.00 0.00 C ATOM 301 CG GLU A 20 -14.155 -6.940 -3.685 1.00 0.00 C ATOM 302 CD GLU A 20 -15.267 -6.886 -4.781 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.372 -6.484 -4.534 1.00 0.00 O ATOM 304 OE2 GLU A 20 -14.819 -7.357 -5.992 1.00 0.00 O ATOM 0 H GLU A 20 -11.387 -5.847 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.612 -4.554 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.284 -5.731 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.788 -5.100 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.243 -7.345 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.464 -7.629 -2.899 1.00 0.00 H new ATOM 312 N LYS A 21 -12.268 -2.767 -2.278 1.00 0.00 N ATOM 313 CA LYS A 21 -12.019 -1.365 -1.808 1.00 0.00 C ATOM 314 C LYS A 21 -11.675 -0.421 -2.966 1.00 0.00 C ATOM 315 O LYS A 21 -12.506 0.417 -3.226 1.00 0.00 O ATOM 316 CB LYS A 21 -10.915 -1.374 -0.720 1.00 0.00 C ATOM 317 CG LYS A 21 -11.240 -2.151 0.580 1.00 0.00 C ATOM 318 CD LYS A 21 -12.255 -1.460 1.580 1.00 0.00 C ATOM 319 CE LYS A 21 -12.523 -2.254 2.887 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.358 -2.545 3.886 1.00 0.00 N ATOM 0 H LYS A 21 -11.772 -3.459 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.939 -0.977 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.010 -1.798 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.688 -0.342 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.643 -3.125 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.306 -2.332 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.871 -0.474 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.203 -1.305 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.294 -1.716 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.949 -3.215 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.723 -3.084 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.620 -3.099 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.955 -1.647 4.220 1.00 0.00 H new ATOM 333 N GLY A 22 -10.609 -0.697 -3.794 1.00 0.00 N ATOM 334 CA GLY A 22 -10.066 0.043 -4.911 1.00 0.00 C ATOM 335 C GLY A 22 -11.219 0.493 -5.940 1.00 0.00 C ATOM 336 O GLY A 22 -11.941 1.431 -5.685 1.00 0.00 O ATOM 0 H GLY A 22 -10.072 -1.551 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.541 0.925 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.332 -0.571 -5.432 1.00 0.00 H new ATOM 340 N LYS A 23 -11.390 -0.373 -7.005 1.00 0.00 N ATOM 341 CA LYS A 23 -12.646 -0.413 -7.754 1.00 0.00 C ATOM 342 C LYS A 23 -13.784 -1.044 -6.884 1.00 0.00 C ATOM 343 O LYS A 23 -14.046 -2.214 -6.906 1.00 0.00 O ATOM 344 CB LYS A 23 -12.342 -1.114 -9.107 1.00 0.00 C ATOM 345 CG LYS A 23 -13.486 -1.027 -10.104 1.00 0.00 C ATOM 346 CD LYS A 23 -14.301 -2.309 -10.405 1.00 0.00 C ATOM 347 CE LYS A 23 -13.558 -3.229 -11.341 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.541 -2.864 -12.791 1.00 0.00 N ATOM 0 H LYS A 23 -10.677 -1.024 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.038 0.577 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.451 -0.666 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.112 -2.163 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.182 -0.268 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.077 -0.665 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.516 -2.832 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.260 -2.037 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.526 -3.297 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.991 -4.225 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.609 -3.087 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.274 -3.404 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.729 -1.846 -12.895 1.00 0.00 H new ATOM 361 N GLY A 24 -14.591 -0.121 -6.340 1.00 0.00 N ATOM 362 CA GLY A 24 -15.927 -0.402 -5.836 1.00 0.00 C ATOM 363 C GLY A 24 -16.458 0.632 -4.807 1.00 0.00 C ATOM 364 O GLY A 24 -17.613 0.955 -4.796 1.00 0.00 O ATOM 0 H GLY A 24 -14.320 0.857 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.618 -0.445 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.927 -1.389 -5.373 1.00 0.00 H new ATOM 368 N SER A 25 -15.494 0.964 -3.981 1.00 0.00 N ATOM 369 CA SER A 25 -15.542 1.799 -2.756 1.00 0.00 C ATOM 370 C SER A 25 -14.847 3.199 -3.120 1.00 0.00 C ATOM 371 O SER A 25 -13.689 3.298 -3.543 1.00 0.00 O ATOM 372 CB SER A 25 -14.932 1.141 -1.467 1.00 0.00 C ATOM 373 OG SER A 25 -15.443 -0.189 -1.252 1.00 0.00 O ATOM 0 H SER A 25 -14.545 0.630 -4.150 1.00 0.00 H new ATOM 0 HA SER A 25 -16.586 1.933 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.846 1.103 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.158 1.762 -0.600 1.00 0.00 H new ATOM 0 HG SER A 25 -15.040 -0.567 -0.443 1.00 0.00 H new ATOM 379 N GLN A 26 -15.623 4.258 -2.876 1.00 0.00 N ATOM 380 CA GLN A 26 -15.150 5.688 -2.874 1.00 0.00 C ATOM 381 C GLN A 26 -14.140 6.031 -1.751 1.00 0.00 C ATOM 382 O GLN A 26 -14.437 6.684 -0.784 1.00 0.00 O ATOM 383 CB GLN A 26 -16.296 6.721 -2.905 1.00 0.00 C ATOM 384 CG GLN A 26 -17.133 6.880 -4.174 1.00 0.00 C ATOM 385 CD GLN A 26 -17.911 5.632 -4.562 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.646 4.959 -3.819 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.800 5.236 -5.785 1.00 0.00 N ATOM 0 H GLN A 26 -16.618 4.169 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.608 5.766 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.979 6.475 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.864 7.695 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.833 7.704 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.476 7.157 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.209 5.752 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.303 4.406 -6.100 1.00 0.00 H new ATOM 396 N LYS A 27 -12.871 5.553 -1.988 1.00 0.00 N ATOM 397 CA LYS A 27 -11.794 5.758 -1.013 1.00 0.00 C ATOM 398 C LYS A 27 -10.460 5.593 -1.929 1.00 0.00 C ATOM 399 O LYS A 27 -10.361 4.920 -2.987 1.00 0.00 O ATOM 400 CB LYS A 27 -12.063 4.889 0.246 1.00 0.00 C ATOM 401 CG LYS A 27 -11.496 3.444 0.246 1.00 0.00 C ATOM 402 CD LYS A 27 -11.559 2.672 1.594 1.00 0.00 C ATOM 403 CE LYS A 27 -12.915 2.446 2.280 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.947 3.271 3.502 1.00 0.00 N ATOM 0 H LYS A 27 -12.597 5.041 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.689 6.720 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.655 5.412 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.142 4.828 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.037 2.866 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.455 3.486 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.110 1.692 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.920 3.200 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.731 2.721 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.047 1.393 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.857 3.137 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.172 2.986 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.835 4.273 3.247 1.00 0.00 H new ATOM 417 N LEU A 28 -9.396 6.084 -1.287 1.00 0.00 N ATOM 418 CA LEU A 28 -8.019 5.778 -1.623 1.00 0.00 C ATOM 419 C LEU A 28 -7.503 4.529 -0.869 1.00 0.00 C ATOM 420 O LEU A 28 -8.096 4.128 0.175 1.00 0.00 O ATOM 421 CB LEU A 28 -7.303 7.155 -1.544 1.00 0.00 C ATOM 422 CG LEU A 28 -5.831 7.141 -2.025 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.635 6.919 -3.509 1.00 0.00 C ATOM 424 CD2 LEU A 28 -5.135 8.364 -1.621 1.00 0.00 C ATOM 0 H LEU A 28 -9.481 6.724 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.817 5.400 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.861 7.875 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.332 7.507 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.399 6.270 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.570 6.927 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.061 5.956 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.133 7.714 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.103 8.328 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.636 9.229 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.146 8.447 -0.534 1.00 0.00 H new ATOM 436 N ILE A 29 -6.532 3.839 -1.463 1.00 0.00 N ATOM 437 CA ILE A 29 -5.914 2.602 -1.077 1.00 0.00 C ATOM 438 C ILE A 29 -4.470 2.722 -1.597 1.00 0.00 C ATOM 439 O ILE A 29 -4.170 3.084 -2.751 1.00 0.00 O ATOM 440 CB ILE A 29 -6.672 1.270 -1.355 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.576 0.673 -2.758 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.202 1.183 -0.947 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.589 -0.859 -2.933 1.00 0.00 C ATOM 0 H ILE A 29 -6.121 4.188 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.943 2.486 0.006 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.074 0.680 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.404 1.076 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.657 1.046 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.591 0.197 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.302 1.346 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.766 1.946 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.513 -1.105 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.744 -1.293 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.519 -1.263 -2.533 1.00 0.00 H new ATOM 455 N VAL A 30 -3.601 2.351 -0.680 1.00 0.00 N ATOM 456 CA VAL A 30 -2.100 2.483 -0.822 1.00 0.00 C ATOM 457 C VAL A 30 -1.550 1.086 -0.190 1.00 0.00 C ATOM 458 O VAL A 30 -2.029 0.460 0.832 1.00 0.00 O ATOM 459 CB VAL A 30 -1.450 3.791 -0.283 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.104 3.863 -0.348 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.160 5.099 -0.658 1.00 0.00 C ATOM 0 H VAL A 30 -3.884 1.940 0.209 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.803 2.615 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.649 3.693 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.441 4.818 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.531 3.051 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.430 3.770 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.619 5.942 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.188 5.200 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.178 5.085 -0.269 1.00 0.00 H new ATOM 471 N VAL A 31 -0.526 0.571 -0.867 1.00 0.00 N ATOM 472 CA VAL A 31 -0.102 -0.863 -0.672 1.00 0.00 C ATOM 473 C VAL A 31 1.422 -1.018 -0.945 1.00 0.00 C ATOM 474 O VAL A 31 1.907 -1.159 -2.046 1.00 0.00 O ATOM 475 CB VAL A 31 -0.933 -1.827 -1.558 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.215 -1.505 -3.017 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.518 -3.354 -1.458 1.00 0.00 C ATOM 0 H VAL A 31 0.031 1.090 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.294 -1.135 0.366 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.879 -1.627 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.810 -2.305 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.764 -0.566 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.273 -1.414 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.156 -3.948 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.522 -3.469 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.635 -3.696 -0.430 1.00 0.00 H new ATOM 487 N ASP A 32 2.167 -1.247 0.133 1.00 0.00 N ATOM 488 CA ASP A 32 3.484 -1.844 0.176 1.00 0.00 C ATOM 489 C ASP A 32 3.520 -3.359 -0.247 1.00 0.00 C ATOM 490 O ASP A 32 2.607 -4.150 0.012 1.00 0.00 O ATOM 491 CB ASP A 32 4.127 -1.679 1.566 1.00 0.00 C ATOM 492 CG ASP A 32 5.653 -1.557 1.820 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.223 -1.855 2.893 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.352 -1.229 0.646 1.00 0.00 O ATOM 0 H ASP A 32 1.834 -0.999 1.065 1.00 0.00 H new ATOM 0 HA ASP A 32 4.063 -1.298 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.676 -0.788 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.790 -2.530 2.158 1.00 0.00 H new ATOM 500 N PHE A 33 4.543 -3.623 -1.036 1.00 0.00 N ATOM 501 CA PHE A 33 4.774 -4.857 -1.778 1.00 0.00 C ATOM 502 C PHE A 33 6.289 -5.133 -1.521 1.00 0.00 C ATOM 503 O PHE A 33 7.112 -4.420 -2.074 1.00 0.00 O ATOM 504 CB PHE A 33 4.571 -4.626 -3.298 1.00 0.00 C ATOM 505 CG PHE A 33 3.067 -4.679 -3.694 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.324 -5.893 -3.476 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.364 -3.562 -4.133 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.016 -5.939 -3.860 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.004 -3.679 -4.485 1.00 0.00 C ATOM 510 CZ PHE A 33 0.314 -4.855 -4.358 1.00 0.00 C ATOM 0 H PHE A 33 5.285 -2.940 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 33 4.104 -5.662 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.987 -3.658 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.121 -5.383 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.793 -6.751 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.860 -2.605 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.495 -6.881 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.488 -2.811 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.727 -4.933 -4.633 1.00 0.00 H new ATOM 520 N THR A 34 6.548 -5.953 -0.471 1.00 0.00 N ATOM 521 CA THR A 34 7.846 -6.091 0.247 1.00 0.00 C ATOM 522 C THR A 34 8.009 -7.578 0.407 1.00 0.00 C ATOM 523 O THR A 34 7.142 -8.421 0.800 1.00 0.00 O ATOM 524 CB THR A 34 7.836 -5.223 1.523 1.00 0.00 C ATOM 525 OG1 THR A 34 9.050 -5.391 2.203 1.00 0.00 O ATOM 526 CG2 THR A 34 6.759 -5.638 2.556 1.00 0.00 C ATOM 0 H THR A 34 5.829 -6.563 -0.083 1.00 0.00 H new ATOM 0 HA THR A 34 8.727 -5.709 -0.269 1.00 0.00 H new ATOM 0 HB THR A 34 7.646 -4.207 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.942 -5.116 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.815 -4.981 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.771 -5.557 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.932 -6.668 2.868 1.00 0.00 H new ATOM 534 N ALA A 35 9.268 -7.904 0.453 1.00 0.00 N ATOM 535 CA ALA A 35 9.802 -9.163 1.045 1.00 0.00 C ATOM 536 C ALA A 35 9.895 -9.151 2.599 1.00 0.00 C ATOM 537 O ALA A 35 10.637 -8.349 3.171 1.00 0.00 O ATOM 538 CB ALA A 35 11.199 -9.354 0.441 1.00 0.00 C ATOM 0 H ALA A 35 10.000 -7.302 0.076 1.00 0.00 H new ATOM 0 HA ALA A 35 9.117 -9.978 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.646 -10.266 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.119 -9.432 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.826 -8.501 0.698 1.00 0.00 H new ATOM 544 N SER A 36 9.335 -10.187 3.273 1.00 0.00 N ATOM 545 CA SER A 36 9.497 -10.369 4.770 1.00 0.00 C ATOM 546 C SER A 36 10.930 -10.244 5.433 1.00 0.00 C ATOM 547 O SER A 36 11.131 -9.564 6.475 1.00 0.00 O ATOM 548 CB SER A 36 8.646 -11.655 5.165 1.00 0.00 C ATOM 549 OG SER A 36 8.467 -11.672 6.563 1.00 0.00 O ATOM 0 H SER A 36 8.771 -10.910 2.826 1.00 0.00 H new ATOM 0 HA SER A 36 9.107 -9.468 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.679 -11.637 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.158 -12.561 4.839 1.00 0.00 H new ATOM 0 HG SER A 36 7.942 -12.460 6.816 1.00 0.00 H new ATOM 555 N TRP A 37 11.930 -10.671 4.684 1.00 0.00 N ATOM 556 CA TRP A 37 13.380 -10.458 4.874 1.00 0.00 C ATOM 557 C TRP A 37 13.677 -9.065 4.244 1.00 0.00 C ATOM 558 O TRP A 37 14.040 -8.913 3.102 1.00 0.00 O ATOM 559 CB TRP A 37 14.106 -11.750 4.320 1.00 0.00 C ATOM 560 CG TRP A 37 13.963 -12.036 2.755 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.889 -12.665 2.160 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.619 -11.545 1.697 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.853 -12.605 0.796 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.968 -11.912 0.506 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.882 -10.895 1.674 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.523 -11.566 -0.772 1.00 0.00 C ATOM 567 CZ3 TRP A 37 16.457 -10.614 0.429 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.791 -10.949 -0.777 1.00 0.00 C ATOM 0 H TRP A 37 11.747 -11.227 3.849 1.00 0.00 H new ATOM 0 HA TRP A 37 13.762 -10.382 5.892 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.167 -11.672 4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.722 -12.615 4.861 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.127 -13.171 2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.156 -12.989 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.384 -10.625 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.992 -11.770 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 17.424 -10.134 0.386 1.00 0.00 H new ATOM 0 HH2 TRP A 37 16.266 -10.727 -1.721 1.00 0.00 H new ATOM 579 N CYS A 38 13.549 -8.073 5.160 1.00 0.00 N ATOM 580 CA CYS A 38 13.856 -6.648 4.937 1.00 0.00 C ATOM 581 C CYS A 38 13.825 -5.856 6.286 1.00 0.00 C ATOM 582 O CYS A 38 12.692 -5.564 6.655 1.00 0.00 O ATOM 583 CB CYS A 38 12.823 -6.119 3.931 1.00 0.00 C ATOM 584 SG CYS A 38 13.187 -4.366 3.609 1.00 0.00 S ATOM 0 H CYS A 38 13.217 -8.256 6.107 1.00 0.00 H new ATOM 0 HA CYS A 38 14.862 -6.519 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.866 -6.692 3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.814 -6.231 4.328 1.00 0.00 H new ATOM 0 HG CYS A 38 14.386 -4.255 3.120 1.00 0.00 H new ATOM 590 N PRO A 39 14.930 -5.590 7.026 1.00 0.00 N ATOM 591 CA PRO A 39 14.993 -4.484 8.067 1.00 0.00 C ATOM 592 C PRO A 39 14.576 -2.957 7.665 1.00 0.00 C ATOM 593 O PRO A 39 13.958 -2.285 8.534 1.00 0.00 O ATOM 594 CB PRO A 39 16.444 -4.510 8.588 1.00 0.00 C ATOM 595 CG PRO A 39 17.166 -5.755 7.950 1.00 0.00 C ATOM 596 CD PRO A 39 16.215 -6.325 6.837 1.00 0.00 C ATOM 0 HA PRO A 39 14.209 -4.716 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 39 16.962 -3.590 8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.457 -4.577 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.127 -5.466 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.368 -6.512 8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.625 -6.157 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.076 -7.401 6.947 1.00 0.00 H new ATOM 604 N PRO A 40 14.969 -2.387 6.467 1.00 0.00 N ATOM 605 CA PRO A 40 14.423 -1.079 5.922 1.00 0.00 C ATOM 606 C PRO A 40 12.820 -0.978 5.801 1.00 0.00 C ATOM 607 O PRO A 40 12.279 0.042 6.308 1.00 0.00 O ATOM 608 CB PRO A 40 15.207 -0.966 4.658 1.00 0.00 C ATOM 609 CG PRO A 40 16.392 -1.878 4.711 1.00 0.00 C ATOM 610 CD PRO A 40 15.807 -3.047 5.469 1.00 0.00 C ATOM 0 HA PRO A 40 14.553 -0.226 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.578 -1.222 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.535 0.063 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.742 -2.161 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.238 -1.429 5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.226 -3.702 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.581 -3.660 5.930 1.00 0.00 H new ATOM 618 N CYS A 41 12.125 -1.939 5.191 1.00 0.00 N ATOM 619 CA CYS A 41 10.688 -2.204 5.345 1.00 0.00 C ATOM 620 C CYS A 41 9.989 -2.631 6.698 1.00 0.00 C ATOM 621 O CYS A 41 8.790 -2.381 6.901 1.00 0.00 O ATOM 622 CB CYS A 41 10.111 -2.738 4.067 1.00 0.00 C ATOM 623 SG CYS A 41 10.330 -1.627 2.594 1.00 0.00 S ATOM 0 H CYS A 41 12.569 -2.589 4.542 1.00 0.00 H new ATOM 0 HA CYS A 41 10.345 -1.195 5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.572 -3.701 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.046 -2.920 4.213 1.00 0.00 H new ATOM 0 HG CYS A 41 9.342 -1.803 1.767 1.00 0.00 H new ATOM 629 N LYS A 42 10.768 -3.309 7.578 1.00 0.00 N ATOM 630 CA LYS A 42 10.417 -3.469 9.000 1.00 0.00 C ATOM 631 C LYS A 42 10.170 -2.137 9.798 1.00 0.00 C ATOM 632 O LYS A 42 9.093 -2.159 10.449 1.00 0.00 O ATOM 633 CB LYS A 42 11.409 -4.414 9.594 1.00 0.00 C ATOM 634 CG LYS A 42 10.854 -5.547 10.468 1.00 0.00 C ATOM 635 CD LYS A 42 11.828 -6.389 11.312 1.00 0.00 C ATOM 636 CE LYS A 42 11.261 -7.124 12.615 1.00 0.00 C ATOM 637 NZ LYS A 42 10.373 -8.334 12.295 1.00 0.00 N ATOM 0 H LYS A 42 11.648 -3.754 7.319 1.00 0.00 H new ATOM 0 HA LYS A 42 9.420 -3.901 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.980 -4.862 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.111 -3.835 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.124 -5.109 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.311 -6.230 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.259 -7.150 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.644 -5.738 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.098 -7.450 13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.689 -6.409 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.039 -8.764 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.556 -8.025 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.921 -9.034 11.756 1.00 0.00 H new ATOM 650 N MET A 43 11.070 -1.170 9.764 1.00 0.00 N ATOM 651 CA MET A 43 10.771 0.264 10.095 1.00 0.00 C ATOM 652 C MET A 43 9.775 1.124 9.259 1.00 0.00 C ATOM 653 O MET A 43 8.964 1.913 9.788 1.00 0.00 O ATOM 654 CB MET A 43 12.036 1.117 10.445 1.00 0.00 C ATOM 655 CG MET A 43 12.928 1.486 9.306 1.00 0.00 C ATOM 656 SD MET A 43 14.477 2.154 9.949 1.00 0.00 S ATOM 657 CE MET A 43 15.537 1.989 8.505 1.00 0.00 C ATOM 0 H MET A 43 12.044 -1.331 9.507 1.00 0.00 H new ATOM 0 HA MET A 43 10.166 0.031 10.971 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.705 2.035 10.930 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.627 0.566 11.176 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.126 0.611 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.438 2.223 8.670 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.507 2.441 8.712 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.671 0.933 8.271 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.076 2.493 7.656 1.00 0.00 H new ATOM 667 N ILE A 44 9.761 0.869 7.914 1.00 0.00 N ATOM 668 CA ILE A 44 8.674 1.377 7.010 1.00 0.00 C ATOM 669 C ILE A 44 7.200 1.009 7.418 1.00 0.00 C ATOM 670 O ILE A 44 6.328 1.827 7.160 1.00 0.00 O ATOM 671 CB ILE A 44 8.975 1.440 5.474 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.798 2.824 4.804 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.265 0.335 4.653 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.912 3.892 5.201 1.00 0.00 C ATOM 0 H ILE A 44 10.478 0.323 7.436 1.00 0.00 H new ATOM 0 HA ILE A 44 8.717 2.440 7.249 1.00 0.00 H new ATOM 0 HB ILE A 44 10.047 1.243 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.805 2.694 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.819 3.221 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.521 0.443 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.587 -0.645 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.186 0.428 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.713 4.833 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.892 4.055 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.894 3.520 4.908 1.00 0.00 H new ATOM 686 N ALA A 45 6.912 -0.241 7.947 1.00 0.00 N ATOM 687 CA ALA A 45 5.631 -0.532 8.642 1.00 0.00 C ATOM 688 C ALA A 45 5.233 0.487 9.757 1.00 0.00 C ATOM 689 O ALA A 45 4.271 1.158 9.580 1.00 0.00 O ATOM 690 CB ALA A 45 5.755 -2.015 9.009 1.00 0.00 C ATOM 0 H ALA A 45 7.549 -1.036 7.897 1.00 0.00 H new ATOM 0 HA ALA A 45 4.749 -0.379 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.854 -2.337 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.879 -2.605 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.621 -2.159 9.656 1.00 0.00 H new ATOM 696 N PRO A 46 5.955 0.857 10.872 1.00 0.00 N ATOM 697 CA PRO A 46 5.718 2.096 11.697 1.00 0.00 C ATOM 698 C PRO A 46 5.564 3.452 11.050 1.00 0.00 C ATOM 699 O PRO A 46 4.780 4.267 11.485 1.00 0.00 O ATOM 700 CB PRO A 46 6.996 2.126 12.500 1.00 0.00 C ATOM 701 CG PRO A 46 7.441 0.674 12.671 1.00 0.00 C ATOM 702 CD PRO A 46 6.985 -0.011 11.389 1.00 0.00 C ATOM 0 HA PRO A 46 4.744 1.993 12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.762 2.708 11.987 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.833 2.598 13.469 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.521 0.601 12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.984 0.219 13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.807 -0.120 10.681 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.601 -1.012 11.587 1.00 0.00 H new ATOM 710 N ILE A 47 6.342 3.889 9.982 1.00 0.00 N ATOM 711 CA ILE A 47 6.039 5.002 9.076 1.00 0.00 C ATOM 712 C ILE A 47 4.616 4.975 8.434 1.00 0.00 C ATOM 713 O ILE A 47 3.848 5.924 8.656 1.00 0.00 O ATOM 714 CB ILE A 47 7.247 5.285 8.188 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.597 5.571 8.945 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.944 6.474 7.194 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.523 6.714 10.001 1.00 0.00 C ATOM 0 H ILE A 47 7.225 3.435 9.748 1.00 0.00 H new ATOM 0 HA ILE A 47 5.905 5.915 9.656 1.00 0.00 H new ATOM 0 HB ILE A 47 7.404 4.351 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.920 4.656 9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.363 5.822 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.819 6.659 6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.096 6.212 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.708 7.373 7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.499 6.839 10.471 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.234 7.644 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.784 6.460 10.761 1.00 0.00 H new ATOM 729 N PHE A 48 4.252 3.830 7.726 1.00 0.00 N ATOM 730 CA PHE A 48 2.940 3.502 7.182 1.00 0.00 C ATOM 731 C PHE A 48 1.788 3.395 8.201 1.00 0.00 C ATOM 732 O PHE A 48 0.677 3.848 7.878 1.00 0.00 O ATOM 733 CB PHE A 48 3.142 2.175 6.399 1.00 0.00 C ATOM 734 CG PHE A 48 2.157 1.753 5.288 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.032 2.501 4.131 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.697 0.430 5.310 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.516 1.921 2.979 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.248 -0.166 4.111 1.00 0.00 C ATOM 739 CZ PHE A 48 1.093 0.632 2.957 1.00 0.00 C ATOM 0 H PHE A 48 4.933 3.096 7.531 1.00 0.00 H new ATOM 0 HA PHE A 48 2.605 4.328 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.134 2.217 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.160 1.370 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.336 3.537 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.686 -0.128 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.450 2.512 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.025 -1.222 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.642 0.221 2.066 1.00 0.00 H new ATOM 749 N ALA A 49 2.077 2.962 9.424 1.00 0.00 N ATOM 750 CA ALA A 49 1.223 3.097 10.629 1.00 0.00 C ATOM 751 C ALA A 49 1.011 4.543 11.212 1.00 0.00 C ATOM 752 O ALA A 49 -0.150 5.002 11.478 1.00 0.00 O ATOM 753 CB ALA A 49 1.482 2.025 11.747 1.00 0.00 C ATOM 0 H ALA A 49 2.954 2.482 9.626 1.00 0.00 H new ATOM 0 HA ALA A 49 0.250 2.864 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.811 2.206 12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.300 1.028 11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.515 2.096 12.087 1.00 0.00 H new ATOM 759 N GLU A 50 2.080 5.288 11.540 1.00 0.00 N ATOM 760 CA GLU A 50 1.961 6.753 11.825 1.00 0.00 C ATOM 761 C GLU A 50 1.204 7.625 10.761 1.00 0.00 C ATOM 762 O GLU A 50 0.283 8.345 11.140 1.00 0.00 O ATOM 763 CB GLU A 50 3.347 7.269 12.270 1.00 0.00 C ATOM 764 CG GLU A 50 3.263 8.514 13.128 1.00 0.00 C ATOM 765 CD GLU A 50 3.104 9.852 12.434 1.00 0.00 C ATOM 766 OE1 GLU A 50 3.768 10.253 11.470 1.00 0.00 O ATOM 767 OE2 GLU A 50 2.078 10.628 12.977 1.00 0.00 O ATOM 0 H GLU A 50 3.028 4.920 11.617 1.00 0.00 H new ATOM 0 HA GLU A 50 1.258 6.879 12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.860 6.484 12.826 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.951 7.482 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.423 8.391 13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.166 8.560 13.737 1.00 0.00 H new ATOM 775 N LEU A 51 1.733 7.571 9.554 1.00 0.00 N ATOM 776 CA LEU A 51 1.064 8.136 8.362 1.00 0.00 C ATOM 777 C LEU A 51 -0.464 7.797 8.227 1.00 0.00 C ATOM 778 O LEU A 51 -1.301 8.678 8.138 1.00 0.00 O ATOM 779 CB LEU A 51 1.959 7.651 7.216 1.00 0.00 C ATOM 780 CG LEU A 51 1.653 8.069 5.738 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.871 6.868 5.059 1.00 0.00 C ATOM 782 CD2 LEU A 51 1.029 9.534 5.676 1.00 0.00 C ATOM 0 H LEU A 51 2.635 7.139 9.355 1.00 0.00 H new ATOM 0 HA LEU A 51 0.988 9.223 8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.974 7.979 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.961 6.561 7.248 1.00 0.00 H new ATOM 0 HG LEU A 51 2.543 8.204 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.640 7.123 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.490 5.971 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.055 6.683 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.826 9.799 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.100 9.558 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.734 10.248 6.102 1.00 0.00 H new ATOM 794 N ALA A 52 -0.815 6.513 8.409 1.00 0.00 N ATOM 795 CA ALA A 52 -2.219 6.057 8.559 1.00 0.00 C ATOM 796 C ALA A 52 -3.048 6.743 9.687 1.00 0.00 C ATOM 797 O ALA A 52 -4.207 7.133 9.446 1.00 0.00 O ATOM 798 CB ALA A 52 -2.202 4.533 8.690 1.00 0.00 C ATOM 0 H ALA A 52 -0.135 5.754 8.457 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.757 6.371 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.222 4.166 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.755 4.096 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.616 4.249 9.564 1.00 0.00 H new ATOM 804 N LYS A 53 -2.470 6.912 10.874 1.00 0.00 N ATOM 805 CA LYS A 53 -3.007 7.765 11.990 1.00 0.00 C ATOM 806 C LYS A 53 -3.283 9.255 11.685 1.00 0.00 C ATOM 807 O LYS A 53 -4.271 9.930 12.014 1.00 0.00 O ATOM 808 CB LYS A 53 -2.142 7.710 13.318 1.00 0.00 C ATOM 809 CG LYS A 53 -2.086 6.314 14.018 1.00 0.00 C ATOM 810 CD LYS A 53 -1.742 6.360 15.583 1.00 0.00 C ATOM 811 CE LYS A 53 -0.429 7.024 16.011 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.556 7.517 17.376 1.00 0.00 N ATOM 0 H LYS A 53 -1.590 6.457 11.117 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.974 7.281 12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.124 8.022 13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.543 8.437 14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.048 5.818 13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.339 5.700 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.558 6.876 16.089 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.734 5.335 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.391 6.308 15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.188 7.846 15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.335 7.968 17.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.328 8.213 17.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.766 6.723 18.014 1.00 0.00 H new ATOM 825 N LYS A 54 -2.351 9.889 10.848 1.00 0.00 N ATOM 826 CA LYS A 54 -2.610 11.216 10.216 1.00 0.00 C ATOM 827 C LYS A 54 -3.841 11.346 9.190 1.00 0.00 C ATOM 828 O LYS A 54 -4.141 12.495 8.893 1.00 0.00 O ATOM 829 CB LYS A 54 -1.239 11.634 9.621 1.00 0.00 C ATOM 830 CG LYS A 54 -0.889 13.116 9.501 1.00 0.00 C ATOM 831 CD LYS A 54 0.560 13.542 9.118 1.00 0.00 C ATOM 832 CE LYS A 54 1.667 13.085 10.109 1.00 0.00 C ATOM 833 NZ LYS A 54 2.974 13.631 9.864 1.00 0.00 N ATOM 0 H LYS A 54 -1.441 9.490 10.616 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.981 11.902 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.464 11.164 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.171 11.201 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.562 13.550 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.123 13.584 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.790 13.142 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.593 14.628 9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.362 13.356 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.734 11.998 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.641 13.268 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.294 13.352 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.934 14.668 9.925 1.00 0.00 H new ATOM 846 N PHE A 55 -4.187 10.299 8.491 1.00 0.00 N ATOM 847 CA PHE A 55 -4.902 10.277 7.217 1.00 0.00 C ATOM 848 C PHE A 55 -6.067 9.135 7.138 1.00 0.00 C ATOM 849 O PHE A 55 -5.827 7.960 6.974 1.00 0.00 O ATOM 850 CB PHE A 55 -3.739 10.066 6.096 1.00 0.00 C ATOM 851 CG PHE A 55 -3.153 11.490 5.687 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.834 12.310 4.794 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.789 11.911 5.973 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.405 13.580 4.471 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.293 13.175 5.544 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.127 14.016 4.868 1.00 0.00 C ATOM 0 H PHE A 55 -3.964 9.357 8.813 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.459 11.201 7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.946 9.431 6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.146 9.560 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.737 11.936 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.138 11.249 6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.051 14.241 3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.273 13.463 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.806 15.021 4.636 1.00 0.00 H new ATOM 866 N PRO A 56 -7.364 9.541 7.378 1.00 0.00 N ATOM 867 CA PRO A 56 -8.672 8.783 7.406 1.00 0.00 C ATOM 868 C PRO A 56 -9.419 8.092 6.284 1.00 0.00 C ATOM 869 O PRO A 56 -10.067 7.055 6.439 1.00 0.00 O ATOM 870 CB PRO A 56 -9.489 9.592 8.350 1.00 0.00 C ATOM 871 CG PRO A 56 -9.273 11.050 7.923 1.00 0.00 C ATOM 872 CD PRO A 56 -7.735 10.960 7.643 1.00 0.00 C ATOM 0 HA PRO A 56 -8.364 7.760 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.542 9.317 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.172 9.433 9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.852 11.327 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.523 11.766 8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.473 11.582 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.175 11.341 8.497 1.00 0.00 H new ATOM 880 N ASN A 57 -9.338 8.703 5.070 1.00 0.00 N ATOM 881 CA ASN A 57 -10.010 8.313 3.783 1.00 0.00 C ATOM 882 C ASN A 57 -9.471 7.012 3.147 1.00 0.00 C ATOM 883 O ASN A 57 -9.964 6.662 2.059 1.00 0.00 O ATOM 884 CB ASN A 57 -10.328 9.523 2.779 1.00 0.00 C ATOM 885 CG ASN A 57 -9.045 10.186 2.185 1.00 0.00 C ATOM 886 OD1 ASN A 57 -8.634 9.814 1.084 1.00 0.00 O ATOM 887 ND2 ASN A 57 -8.334 11.067 2.890 1.00 0.00 N ATOM 0 H ASN A 57 -8.765 9.538 4.948 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.016 8.024 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.950 9.155 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.909 10.280 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.456 11.429 2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.668 11.379 3.802 1.00 0.00 H new ATOM 894 N VAL A 58 -8.466 6.388 3.714 1.00 0.00 N ATOM 895 CA VAL A 58 -7.371 5.701 3.031 1.00 0.00 C ATOM 896 C VAL A 58 -7.040 4.399 3.806 1.00 0.00 C ATOM 897 O VAL A 58 -6.649 4.542 4.919 1.00 0.00 O ATOM 898 CB VAL A 58 -6.165 6.704 2.600 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.740 7.536 3.663 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.012 6.018 1.805 1.00 0.00 C ATOM 0 H VAL A 58 -8.376 6.338 4.729 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.662 5.352 2.040 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.598 7.384 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.934 8.184 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.576 8.147 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.382 6.919 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.250 6.758 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.569 5.230 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.410 5.586 0.887 1.00 0.00 H new ATOM 910 N THR A 59 -7.173 3.190 3.203 1.00 0.00 N ATOM 911 CA THR A 59 -6.811 1.829 3.690 1.00 0.00 C ATOM 912 C THR A 59 -5.296 1.678 3.208 1.00 0.00 C ATOM 913 O THR A 59 -4.939 2.028 2.068 1.00 0.00 O ATOM 914 CB THR A 59 -7.765 0.753 3.124 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.162 0.793 3.548 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.205 -0.645 3.330 1.00 0.00 C ATOM 0 H THR A 59 -7.577 3.136 2.268 1.00 0.00 H new ATOM 0 HA THR A 59 -6.907 1.696 4.768 1.00 0.00 H new ATOM 0 HB THR A 59 -7.804 1.015 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.655 0.063 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.899 -1.379 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.245 -0.731 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.069 -0.829 4.396 1.00 0.00 H new ATOM 924 N PHE A 60 -4.535 0.956 4.030 1.00 0.00 N ATOM 925 CA PHE A 60 -3.113 0.643 3.985 1.00 0.00 C ATOM 926 C PHE A 60 -2.893 -0.887 4.245 1.00 0.00 C ATOM 927 O PHE A 60 -3.545 -1.540 5.112 1.00 0.00 O ATOM 928 CB PHE A 60 -2.315 1.542 4.886 1.00 0.00 C ATOM 929 CG PHE A 60 -2.267 3.066 4.607 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.584 3.611 3.509 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.083 3.836 5.329 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.601 4.975 3.335 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.128 5.217 5.168 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.343 5.814 4.207 1.00 0.00 C ATOM 0 H PHE A 60 -4.961 0.522 4.849 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.731 0.847 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.696 1.409 5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.288 1.178 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.056 2.973 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.728 3.373 6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.041 5.415 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.774 5.817 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.293 6.889 4.119 1.00 0.00 H new ATOM 944 N LEU A 61 -2.153 -1.530 3.309 1.00 0.00 N ATOM 945 CA LEU A 61 -2.100 -3.055 3.164 1.00 0.00 C ATOM 946 C LEU A 61 -0.706 -3.483 2.618 1.00 0.00 C ATOM 947 O LEU A 61 -0.106 -2.783 1.803 1.00 0.00 O ATOM 948 CB LEU A 61 -3.376 -3.813 2.547 1.00 0.00 C ATOM 949 CG LEU A 61 -3.369 -4.129 1.033 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.748 -5.502 0.676 1.00 0.00 C ATOM 951 CD2 LEU A 61 -4.663 -4.046 0.262 1.00 0.00 C ATOM 0 H LEU A 61 -1.574 -1.038 2.629 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.206 -3.448 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.498 -4.754 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.258 -3.209 2.758 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.751 -3.289 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.781 -5.647 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.712 -5.532 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.313 -6.295 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.481 -4.297 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.383 -4.747 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.061 -3.033 0.327 1.00 0.00 H new ATOM 963 N LYS A 62 -0.193 -4.563 3.156 1.00 0.00 N ATOM 964 CA LYS A 62 1.220 -4.905 3.192 1.00 0.00 C ATOM 965 C LYS A 62 1.274 -6.449 2.874 1.00 0.00 C ATOM 966 O LYS A 62 0.659 -7.266 3.576 1.00 0.00 O ATOM 967 CB LYS A 62 1.927 -4.492 4.483 1.00 0.00 C ATOM 968 CG LYS A 62 1.499 -5.153 5.802 1.00 0.00 C ATOM 969 CD LYS A 62 2.326 -4.799 7.054 1.00 0.00 C ATOM 970 CE LYS A 62 2.033 -5.542 8.336 1.00 0.00 C ATOM 971 NZ LYS A 62 2.903 -5.261 9.501 1.00 0.00 N ATOM 0 H LYS A 62 -0.776 -5.269 3.606 1.00 0.00 H new ATOM 0 HA LYS A 62 1.788 -4.339 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.993 -4.678 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.804 -3.415 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.460 -4.887 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.532 -6.234 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.378 -4.953 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.196 -3.734 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.004 -5.325 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.086 -6.610 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.594 -5.835 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.888 -5.498 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.839 -4.252 9.747 1.00 0.00 H new ATOM 984 N VAL A 63 1.955 -6.806 1.821 1.00 0.00 N ATOM 985 CA VAL A 63 1.826 -8.053 1.031 1.00 0.00 C ATOM 986 C VAL A 63 3.316 -8.571 1.018 1.00 0.00 C ATOM 987 O VAL A 63 4.225 -7.936 0.432 1.00 0.00 O ATOM 988 CB VAL A 63 1.243 -7.838 -0.418 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.465 -9.153 -1.285 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.184 -7.284 -0.429 1.00 0.00 C ATOM 0 H VAL A 63 2.681 -6.199 1.441 1.00 0.00 H new ATOM 0 HA VAL A 63 1.110 -8.756 1.457 1.00 0.00 H new ATOM 0 HB VAL A 63 1.804 -7.040 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.061 -9.001 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.531 -9.368 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.955 -9.992 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.519 -7.162 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.847 -7.977 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.203 -6.318 0.076 1.00 0.00 H new ATOM 1000 N ASP A 64 3.429 -9.763 1.578 1.00 0.00 N ATOM 1001 CA ASP A 64 4.570 -10.723 1.400 1.00 0.00 C ATOM 1002 C ASP A 64 4.668 -11.196 -0.089 1.00 0.00 C ATOM 1003 O ASP A 64 3.738 -11.849 -0.648 1.00 0.00 O ATOM 1004 CB ASP A 64 4.183 -11.924 2.306 1.00 0.00 C ATOM 1005 CG ASP A 64 5.392 -12.829 2.814 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.340 -13.393 3.884 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.402 -12.941 1.891 1.00 0.00 O ATOM 0 H ASP A 64 2.710 -10.130 2.202 1.00 0.00 H new ATOM 0 HA ASP A 64 5.533 -10.279 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.650 -11.541 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.485 -12.557 1.758 1.00 0.00 H new ATOM 1013 N VAL A 65 5.695 -10.696 -0.732 1.00 0.00 N ATOM 1014 CA VAL A 65 6.079 -11.001 -2.189 1.00 0.00 C ATOM 1015 C VAL A 65 6.388 -12.538 -2.492 1.00 0.00 C ATOM 1016 O VAL A 65 5.836 -13.089 -3.442 1.00 0.00 O ATOM 1017 CB VAL A 65 7.143 -10.015 -2.734 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.647 -10.433 -2.476 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.896 -9.735 -4.200 1.00 0.00 C ATOM 0 H VAL A 65 6.339 -10.040 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 65 5.176 -10.818 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 65 7.014 -9.101 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.312 -9.678 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.823 -10.516 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.844 -11.394 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.651 -9.041 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.953 -10.667 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.906 -9.295 -4.325 1.00 0.00 H new ATOM 1029 N ASP A 66 7.032 -13.167 -1.519 1.00 0.00 N ATOM 1030 CA ASP A 66 7.244 -14.608 -1.403 1.00 0.00 C ATOM 1031 C ASP A 66 6.037 -15.587 -1.590 1.00 0.00 C ATOM 1032 O ASP A 66 6.162 -16.485 -2.406 1.00 0.00 O ATOM 1033 CB ASP A 66 8.044 -14.855 -0.047 1.00 0.00 C ATOM 1034 CG ASP A 66 9.204 -13.942 0.346 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.023 -13.484 -0.487 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.049 -13.501 1.655 1.00 0.00 O ATOM 0 H ASP A 66 7.447 -12.656 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 66 7.809 -14.889 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.318 -14.821 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.434 -15.872 -0.084 1.00 0.00 H new ATOM 1042 N GLU A 67 4.928 -15.295 -0.927 1.00 0.00 N ATOM 1043 CA GLU A 67 3.575 -15.817 -1.304 1.00 0.00 C ATOM 1044 C GLU A 67 2.873 -15.367 -2.646 1.00 0.00 C ATOM 1045 O GLU A 67 2.164 -16.165 -3.265 1.00 0.00 O ATOM 1046 CB GLU A 67 2.655 -15.534 -0.117 1.00 0.00 C ATOM 1047 CG GLU A 67 3.046 -15.930 1.338 1.00 0.00 C ATOM 1048 CD GLU A 67 2.967 -17.460 1.656 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.925 -18.048 1.666 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.201 -17.991 1.937 1.00 0.00 O ATOM 0 H GLU A 67 4.916 -14.689 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 67 3.759 -16.867 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.468 -14.460 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.704 -16.022 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.063 -15.587 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.394 -15.397 2.030 1.00 0.00 H new ATOM 1058 N LEU A 68 3.074 -14.125 -3.059 1.00 0.00 N ATOM 1059 CA LEU A 68 2.277 -13.387 -4.071 1.00 0.00 C ATOM 1060 C LEU A 68 3.216 -12.482 -4.981 1.00 0.00 C ATOM 1061 O LEU A 68 3.086 -11.284 -5.159 1.00 0.00 O ATOM 1062 CB LEU A 68 1.180 -12.494 -3.374 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.012 -13.211 -2.607 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.918 -12.104 -1.950 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.950 -14.060 -3.496 1.00 0.00 C ATOM 0 H LEU A 68 3.836 -13.559 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 68 1.780 -14.121 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.687 -11.843 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.742 -11.851 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 68 0.468 -13.884 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.743 -12.578 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.324 -11.516 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.315 -11.450 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.730 -14.507 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.407 -13.424 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.375 -14.848 -3.982 1.00 0.00 H new ATOM 1077 N LYS A 69 4.112 -13.203 -5.664 1.00 0.00 N ATOM 1078 CA LYS A 69 4.995 -12.637 -6.708 1.00 0.00 C ATOM 1079 C LYS A 69 4.347 -12.440 -8.096 1.00 0.00 C ATOM 1080 O LYS A 69 4.560 -11.377 -8.661 1.00 0.00 O ATOM 1081 CB LYS A 69 6.362 -13.425 -6.731 1.00 0.00 C ATOM 1082 CG LYS A 69 6.381 -14.957 -6.853 1.00 0.00 C ATOM 1083 CD LYS A 69 7.837 -15.368 -6.762 1.00 0.00 C ATOM 1084 CE LYS A 69 8.044 -16.839 -6.906 1.00 0.00 C ATOM 1085 NZ LYS A 69 7.515 -17.571 -5.795 1.00 0.00 N ATOM 0 H LYS A 69 4.251 -14.202 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 69 5.200 -11.605 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.947 -13.030 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.895 -13.169 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.795 -15.419 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.944 -15.278 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.403 -14.851 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.240 -15.043 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.569 -17.183 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.110 -17.047 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.741 -18.580 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.936 -17.216 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.483 -17.449 -5.759 1.00 0.00 H new ATOM 1098 N ALA A 70 3.513 -13.369 -8.626 1.00 0.00 N ATOM 1099 CA ALA A 70 2.812 -13.218 -9.854 1.00 0.00 C ATOM 1100 C ALA A 70 1.911 -11.894 -9.960 1.00 0.00 C ATOM 1101 O ALA A 70 2.250 -10.943 -10.682 1.00 0.00 O ATOM 1102 CB ALA A 70 2.174 -14.559 -10.290 1.00 0.00 C ATOM 0 H ALA A 70 3.327 -14.261 -8.168 1.00 0.00 H new ATOM 0 HA ALA A 70 3.539 -12.995 -10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.643 -14.420 -11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.955 -15.308 -10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.474 -14.895 -9.525 1.00 0.00 H new ATOM 1108 N VAL A 71 0.949 -11.783 -9.026 1.00 0.00 N ATOM 1109 CA VAL A 71 0.151 -10.571 -8.777 1.00 0.00 C ATOM 1110 C VAL A 71 0.925 -9.285 -8.449 1.00 0.00 C ATOM 1111 O VAL A 71 0.564 -8.249 -8.974 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.030 -10.916 -7.820 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.542 -11.121 -6.375 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.094 -9.754 -7.828 1.00 0.00 C ATOM 0 H VAL A 71 0.699 -12.555 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.269 -10.269 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.478 -11.842 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.391 -11.360 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.176 -11.940 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.065 -10.208 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.914 -10.007 -7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.624 -8.828 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.481 -9.622 -8.838 1.00 0.00 H new ATOM 1124 N ALA A 72 1.788 -9.221 -7.375 1.00 0.00 N ATOM 1125 CA ALA A 72 2.718 -8.001 -7.291 1.00 0.00 C ATOM 1126 C ALA A 72 3.423 -7.442 -8.590 1.00 0.00 C ATOM 1127 O ALA A 72 3.231 -6.277 -8.996 1.00 0.00 O ATOM 1128 CB ALA A 72 3.783 -8.174 -6.230 1.00 0.00 C ATOM 0 H ALA A 72 1.870 -9.908 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 72 1.973 -7.242 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.418 -7.289 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.309 -8.309 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.390 -9.049 -6.463 1.00 0.00 H new ATOM 1134 N GLU A 73 3.990 -8.382 -9.407 1.00 0.00 N ATOM 1135 CA GLU A 73 4.510 -8.180 -10.792 1.00 0.00 C ATOM 1136 C GLU A 73 3.424 -7.547 -11.722 1.00 0.00 C ATOM 1137 O GLU A 73 3.717 -6.455 -12.248 1.00 0.00 O ATOM 1138 CB GLU A 73 5.082 -9.381 -11.459 1.00 0.00 C ATOM 1139 CG GLU A 73 6.467 -9.790 -11.001 1.00 0.00 C ATOM 1140 CD GLU A 73 6.870 -11.159 -11.545 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.952 -12.252 -10.947 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.246 -11.126 -12.851 1.00 0.00 O ATOM 0 H GLU A 73 4.101 -9.348 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 73 5.347 -7.497 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.404 -10.220 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.114 -9.197 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.191 -9.043 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.497 -9.810 -9.912 1.00 0.00 H new ATOM 1150 N GLU A 74 2.143 -8.130 -11.870 1.00 0.00 N ATOM 1151 CA GLU A 74 0.921 -7.569 -12.572 1.00 0.00 C ATOM 1152 C GLU A 74 0.539 -6.110 -12.176 1.00 0.00 C ATOM 1153 O GLU A 74 0.508 -5.270 -13.115 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.327 -8.542 -12.447 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.548 -8.213 -11.553 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.691 -9.283 -11.688 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.520 -10.454 -11.410 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.877 -8.646 -12.007 1.00 0.00 O ATOM 0 H GLU A 74 1.948 -9.050 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 74 1.218 -7.507 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.710 -8.691 -13.457 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.059 -9.503 -12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.229 -8.155 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.938 -7.231 -11.822 1.00 0.00 H new ATOM 1166 N TRP A 75 0.387 -5.682 -10.882 1.00 0.00 N ATOM 1167 CA TRP A 75 0.197 -4.281 -10.431 1.00 0.00 C ATOM 1168 C TRP A 75 1.386 -3.363 -10.985 1.00 0.00 C ATOM 1169 O TRP A 75 1.086 -2.454 -11.717 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.035 -4.079 -8.900 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.157 -4.934 -8.283 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.934 -5.785 -7.236 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.427 -5.262 -8.703 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -2.084 -6.469 -6.822 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.856 -6.327 -7.960 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.177 -4.791 -9.767 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.081 -6.943 -8.228 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.350 -5.477 -10.073 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.881 -6.471 -9.265 1.00 0.00 C ATOM 0 H TRP A 75 0.395 -6.338 -10.101 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.751 -3.964 -10.865 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.896 -4.299 -8.377 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.261 -3.028 -8.720 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.033 -5.917 -6.774 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.291 -6.936 -5.939 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.866 -3.928 -10.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.406 -7.783 -7.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.871 -5.222 -10.984 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.873 -6.863 -9.433 1.00 0.00 H new ATOM 1190 N ASN A 76 2.617 -3.756 -10.641 1.00 0.00 N ATOM 1191 CA ASN A 76 3.919 -3.416 -11.434 1.00 0.00 C ATOM 1192 C ASN A 76 5.041 -3.497 -10.355 1.00 0.00 C ATOM 1193 O ASN A 76 5.316 -2.503 -9.688 1.00 0.00 O ATOM 1194 CB ASN A 76 3.855 -2.071 -12.281 1.00 0.00 C ATOM 1195 CG ASN A 76 4.888 -2.075 -13.342 1.00 0.00 C ATOM 1196 OD1 ASN A 76 4.598 -2.617 -14.442 1.00 0.00 O ATOM 1197 ND2 ASN A 76 5.941 -1.318 -13.099 1.00 0.00 N ATOM 0 H ASN A 76 2.795 -4.322 -9.812 1.00 0.00 H new ATOM 0 HA ASN A 76 4.107 -4.117 -12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.867 -1.963 -12.728 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.003 -1.214 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.613 -1.125 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.083 -0.926 -12.168 1.00 0.00 H new ATOM 1204 N VAL A 77 5.619 -4.653 -10.166 1.00 0.00 N ATOM 1205 CA VAL A 77 6.563 -4.969 -8.983 1.00 0.00 C ATOM 1206 C VAL A 77 7.542 -6.035 -9.458 1.00 0.00 C ATOM 1207 O VAL A 77 7.720 -7.127 -8.900 1.00 0.00 O ATOM 1208 CB VAL A 77 5.900 -5.313 -7.605 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.949 -5.162 -6.472 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.738 -4.294 -7.220 1.00 0.00 C ATOM 0 H VAL A 77 5.487 -5.444 -10.797 1.00 0.00 H new ATOM 0 HA VAL A 77 7.071 -4.040 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 77 5.509 -6.326 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.487 -5.401 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.781 -5.842 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.317 -4.136 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.311 -4.576 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.146 -3.285 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.961 -4.323 -7.984 1.00 0.00 H new ATOM 1220 N GLU A 78 8.373 -5.603 -10.375 1.00 0.00 N ATOM 1221 CA GLU A 78 9.752 -6.135 -10.530 1.00 0.00 C ATOM 1222 C GLU A 78 10.862 -5.856 -9.413 1.00 0.00 C ATOM 1223 O GLU A 78 12.014 -6.335 -9.540 1.00 0.00 O ATOM 1224 CB GLU A 78 10.228 -5.911 -12.034 1.00 0.00 C ATOM 1225 CG GLU A 78 10.627 -4.463 -12.341 1.00 0.00 C ATOM 1226 CD GLU A 78 12.045 -3.845 -12.104 1.00 0.00 C ATOM 1227 OE1 GLU A 78 12.305 -2.649 -12.221 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.930 -4.803 -11.812 1.00 0.00 O ATOM 0 H GLU A 78 8.135 -4.873 -11.047 1.00 0.00 H new ATOM 0 HA GLU A 78 9.650 -7.197 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.076 -6.564 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.425 -6.209 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.410 -4.312 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.932 -3.838 -11.780 1.00 0.00 H new ATOM 1236 N ALA A 79 10.578 -5.016 -8.456 1.00 0.00 N ATOM 1237 CA ALA A 79 11.445 -4.366 -7.499 1.00 0.00 C ATOM 1238 C ALA A 79 10.817 -4.317 -6.048 1.00 0.00 C ATOM 1239 O ALA A 79 9.673 -3.871 -5.873 1.00 0.00 O ATOM 1240 CB ALA A 79 11.915 -2.949 -7.765 1.00 0.00 C ATOM 0 H ALA A 79 9.610 -4.732 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 79 12.313 -5.018 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.556 -2.619 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.476 -2.921 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.052 -2.287 -7.840 1.00 0.00 H new ATOM 1246 N MET A 80 11.808 -4.576 -5.089 1.00 0.00 N ATOM 1247 CA MET A 80 11.742 -4.269 -3.590 1.00 0.00 C ATOM 1248 C MET A 80 12.207 -2.775 -3.450 1.00 0.00 C ATOM 1249 O MET A 80 13.384 -2.451 -3.800 1.00 0.00 O ATOM 1250 CB MET A 80 12.479 -5.371 -2.813 1.00 0.00 C ATOM 1251 CG MET A 80 11.672 -6.679 -2.423 1.00 0.00 C ATOM 1252 SD MET A 80 10.749 -7.317 -3.864 1.00 0.00 S ATOM 1253 CE MET A 80 9.051 -6.583 -3.659 1.00 0.00 C ATOM 0 H MET A 80 12.692 -5.014 -5.348 1.00 0.00 H new ATOM 0 HA MET A 80 10.756 -4.309 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.342 -5.676 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.863 -4.930 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.360 -7.442 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.980 -6.458 -1.610 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.413 -6.908 -4.481 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.623 -6.916 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.122 -5.495 -3.662 1.00 0.00 H new ATOM 1263 N PRO A 81 11.313 -1.875 -2.853 1.00 0.00 N ATOM 1264 CA PRO A 81 9.818 -2.113 -2.555 1.00 0.00 C ATOM 1265 C PRO A 81 8.849 -0.939 -2.515 1.00 0.00 C ATOM 1266 O PRO A 81 9.173 0.264 -2.376 1.00 0.00 O ATOM 1267 CB PRO A 81 10.009 -2.430 -0.958 1.00 0.00 C ATOM 1268 CG PRO A 81 11.114 -1.486 -0.403 1.00 0.00 C ATOM 1269 CD PRO A 81 12.001 -1.119 -1.683 1.00 0.00 C ATOM 0 HA PRO A 81 9.403 -2.790 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.072 -2.273 -0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.290 -3.473 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.683 -0.594 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.709 -1.979 0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.019 -0.044 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.035 -1.439 -1.556 1.00 0.00 H new ATOM 1277 N THR A 82 7.787 -1.330 -3.216 1.00 0.00 N ATOM 1278 CA THR A 82 6.726 -0.622 -3.979 1.00 0.00 C ATOM 1279 C THR A 82 5.408 -0.463 -3.105 1.00 0.00 C ATOM 1280 O THR A 82 4.696 -1.304 -2.694 1.00 0.00 O ATOM 1281 CB THR A 82 6.711 -1.207 -5.424 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.059 -1.295 -5.867 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.013 -0.294 -6.466 1.00 0.00 C ATOM 0 H THR A 82 7.611 -2.333 -3.279 1.00 0.00 H new ATOM 0 HA THR A 82 6.902 0.436 -4.171 1.00 0.00 H new ATOM 0 HB THR A 82 6.177 -2.155 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.384 -2.212 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.044 -0.770 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.975 -0.134 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.529 0.665 -6.513 1.00 0.00 H new ATOM 1291 N PHE A 83 5.008 0.771 -3.216 1.00 0.00 N ATOM 1292 CA PHE A 83 3.747 1.373 -2.930 1.00 0.00 C ATOM 1293 C PHE A 83 3.093 1.826 -4.298 1.00 0.00 C ATOM 1294 O PHE A 83 3.792 2.663 -4.985 1.00 0.00 O ATOM 1295 CB PHE A 83 3.957 2.680 -2.080 1.00 0.00 C ATOM 1296 CG PHE A 83 4.755 2.416 -0.789 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.077 1.916 0.378 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.101 2.732 -0.770 1.00 0.00 C ATOM 1299 CE1 PHE A 83 4.793 1.817 1.577 1.00 0.00 C ATOM 1300 CE2 PHE A 83 6.814 2.557 0.472 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.177 1.990 1.609 1.00 0.00 C ATOM 0 H PHE A 83 5.660 1.475 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 83 3.126 0.658 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.480 3.422 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.986 3.104 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.038 1.624 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.601 3.097 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.264 1.603 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.848 2.862 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.751 1.700 2.477 1.00 0.00 H new ATOM 1311 N ILE A 84 1.877 1.296 -4.422 1.00 0.00 N ATOM 1312 CA ILE A 84 0.934 1.394 -5.593 1.00 0.00 C ATOM 1313 C ILE A 84 -0.432 2.023 -5.006 1.00 0.00 C ATOM 1314 O ILE A 84 -0.983 1.700 -3.963 1.00 0.00 O ATOM 1315 CB ILE A 84 0.794 -0.034 -6.258 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.915 -0.248 -7.394 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.670 -0.324 -6.845 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.733 -1.658 -7.336 1.00 0.00 C ATOM 0 H ILE A 84 1.473 0.743 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 84 1.280 2.041 -6.399 1.00 0.00 H new ATOM 0 HB ILE A 84 0.951 -0.758 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.435 -0.169 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.633 0.569 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.694 -1.321 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.403 -0.265 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.909 0.416 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.460 -1.691 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.252 -1.739 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.035 -2.488 -7.441 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.853 2.957 -5.767 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.879 3.974 -5.448 1.00 0.00 C ATOM 1332 C PHE A 85 -3.025 3.564 -6.491 1.00 0.00 C ATOM 1333 O PHE A 85 -2.850 3.525 -7.729 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.387 5.414 -5.616 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.315 5.956 -4.684 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.005 5.485 -4.786 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.737 6.729 -3.576 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.900 5.673 -3.654 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.235 6.983 -2.583 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.478 6.463 -2.639 1.00 0.00 C ATOM 0 H PHE A 85 -0.485 3.073 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.199 3.977 -4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.014 5.514 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.255 6.067 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.348 4.994 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.747 7.104 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.869 5.198 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.027 7.617 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.167 6.687 -1.838 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.111 3.080 -5.897 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.275 2.575 -6.578 1.00 0.00 C ATOM 1352 C LEU A 86 -6.440 3.344 -5.752 1.00 0.00 C ATOM 1353 O LEU A 86 -6.684 3.208 -4.570 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.352 0.977 -6.431 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.198 0.174 -7.456 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.626 0.716 -7.724 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.508 -0.094 -8.823 1.00 0.00 C ATOM 0 H LEU A 86 -4.197 3.031 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.317 2.745 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.333 0.592 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.739 0.755 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.290 -0.772 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.126 0.080 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.195 0.717 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.562 1.733 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.182 -0.661 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.265 0.855 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.593 -0.665 -8.663 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.193 4.163 -6.477 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.379 4.963 -6.117 1.00 0.00 C ATOM 1371 C LYS A 87 -9.714 4.304 -6.613 1.00 0.00 C ATOM 1372 O LYS A 87 -9.658 3.276 -7.307 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.249 6.512 -6.477 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.951 7.456 -5.517 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.671 8.939 -5.857 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.294 9.809 -4.705 1.00 0.00 C ATOM 1377 NZ LYS A 87 -9.134 11.266 -5.033 1.00 0.00 N ATOM 0 H LYS A 87 -6.963 4.306 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.427 4.951 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.191 6.774 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.650 6.672 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.025 7.273 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.622 7.249 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.599 9.119 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.111 9.202 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.350 9.567 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.803 9.583 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.546 11.841 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.123 11.491 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.622 11.476 -5.927 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.915 4.845 -6.274 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.132 4.749 -7.086 1.00 0.00 C ATOM 1392 C ASP A 88 -12.114 5.216 -8.640 1.00 0.00 C ATOM 1393 O ASP A 88 -12.846 6.140 -9.075 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.368 5.305 -6.377 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.438 6.833 -6.216 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.023 7.552 -6.977 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.869 7.306 -5.096 1.00 0.00 O ATOM 0 H ASP A 88 -11.054 5.368 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.182 3.664 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.252 4.979 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.424 4.855 -5.386 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.053 4.786 -9.340 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.827 5.005 -10.803 1.00 0.00 C ATOM 1405 C GLY A 89 -9.559 4.255 -11.429 1.00 0.00 C ATOM 1406 O GLY A 89 -8.913 4.795 -12.286 1.00 0.00 O ATOM 0 H GLY A 89 -10.297 4.259 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.718 4.684 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.716 6.075 -10.979 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.422 2.986 -11.115 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.245 2.127 -11.370 1.00 0.00 C ATOM 1412 C LYS A 90 -6.911 2.823 -10.838 1.00 0.00 C ATOM 1413 O LYS A 90 -6.923 3.591 -9.898 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.275 1.501 -12.805 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.429 0.524 -13.275 1.00 0.00 C ATOM 1416 CD LYS A 90 -10.848 1.059 -13.287 1.00 0.00 C ATOM 1417 CE LYS A 90 -11.870 0.076 -13.907 1.00 0.00 C ATOM 1418 NZ LYS A 90 -13.193 0.643 -13.834 1.00 0.00 N ATOM 0 H LYS A 90 -10.169 2.476 -10.643 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.276 1.220 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.262 2.332 -13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.337 0.961 -12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.191 0.185 -14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.408 -0.354 -12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.150 1.289 -12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.871 1.995 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.608 -0.129 -14.945 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.842 -0.876 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.878 -0.019 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.442 0.817 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.215 1.541 -14.359 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.734 2.312 -11.209 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.349 2.836 -10.911 1.00 0.00 C ATOM 1433 C LEU A 91 -4.198 4.299 -11.323 1.00 0.00 C ATOM 1434 O LEU A 91 -4.133 4.679 -12.484 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.349 1.951 -11.698 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.856 2.026 -11.291 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.405 1.158 -10.128 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.969 1.602 -12.504 1.00 0.00 C ATOM 0 H LEU A 91 -5.693 1.459 -11.767 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.159 2.792 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.672 0.914 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.424 2.215 -12.753 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.741 3.062 -10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.340 1.310 -9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.963 1.431 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.588 0.110 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.082 1.654 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.217 0.582 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.153 2.274 -13.342 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.108 5.052 -10.213 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.698 6.521 -10.076 1.00 0.00 C ATOM 1452 C VAL A 92 -2.137 6.723 -10.179 1.00 0.00 C ATOM 1453 O VAL A 92 -1.685 7.490 -11.034 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.530 7.401 -9.024 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -6.070 7.435 -9.329 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.296 7.123 -7.574 1.00 0.00 C ATOM 0 H VAL A 92 -4.330 4.650 -9.302 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.061 7.026 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.106 8.391 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.576 8.046 -8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.236 7.861 -10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.469 6.421 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.918 7.785 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.552 6.086 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.247 7.295 -7.335 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.253 6.044 -9.414 1.00 0.00 N ATOM 1467 CA ASP A 93 0.268 6.376 -9.401 1.00 0.00 C ATOM 1468 C ASP A 93 1.040 5.187 -8.696 1.00 0.00 C ATOM 1469 O ASP A 93 0.548 4.190 -8.231 1.00 0.00 O ATOM 1470 CB ASP A 93 0.570 7.727 -8.746 1.00 0.00 C ATOM 1471 CG ASP A 93 1.826 8.418 -9.135 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.950 8.305 -8.626 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.547 9.259 -10.220 1.00 0.00 O ATOM 0 H ASP A 93 -1.515 5.275 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 93 0.616 6.474 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.262 8.397 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.589 7.579 -7.666 1.00 0.00 H new ATOM 1479 N LYS A 94 2.384 5.318 -8.797 1.00 0.00 N ATOM 1480 CA LYS A 94 3.337 4.254 -8.267 1.00 0.00 C ATOM 1481 C LYS A 94 4.823 4.863 -8.092 1.00 0.00 C ATOM 1482 O LYS A 94 5.380 5.544 -8.976 1.00 0.00 O ATOM 1483 CB LYS A 94 3.344 3.071 -9.331 1.00 0.00 C ATOM 1484 CG LYS A 94 3.599 3.332 -10.783 1.00 0.00 C ATOM 1485 CD LYS A 94 3.377 2.028 -11.612 1.00 0.00 C ATOM 1486 CE LYS A 94 3.944 2.132 -13.020 1.00 0.00 C ATOM 1487 NZ LYS A 94 3.548 3.273 -13.911 1.00 0.00 N ATOM 0 H LYS A 94 2.846 6.120 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 94 3.015 3.897 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.093 2.351 -9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.375 2.576 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.933 4.117 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.619 3.691 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.844 1.189 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.310 1.814 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.030 2.154 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.686 1.210 -13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.030 3.181 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.518 3.258 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.821 4.172 -13.466 1.00 0.00 H new ATOM 1500 N THR A 95 5.410 4.490 -6.948 1.00 0.00 N ATOM 1501 CA THR A 95 6.743 4.930 -6.432 1.00 0.00 C ATOM 1502 C THR A 95 7.406 3.680 -5.682 1.00 0.00 C ATOM 1503 O THR A 95 6.638 2.754 -5.367 1.00 0.00 O ATOM 1504 CB THR A 95 6.650 6.224 -5.544 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.093 7.404 -6.224 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.877 6.765 -4.827 1.00 0.00 C ATOM 0 H THR A 95 4.954 3.837 -6.311 1.00 0.00 H new ATOM 0 HA THR A 95 7.387 5.232 -7.258 1.00 0.00 H new ATOM 0 HB THR A 95 5.995 5.774 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.921 8.110 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.606 7.661 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.259 6.010 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.646 7.012 -5.558 1.00 0.00 H new ATOM 1514 N VAL A 96 8.700 3.701 -5.519 1.00 0.00 N ATOM 1515 CA VAL A 96 9.441 2.469 -5.158 1.00 0.00 C ATOM 1516 C VAL A 96 10.644 3.069 -4.388 1.00 0.00 C ATOM 1517 O VAL A 96 11.588 3.582 -4.967 1.00 0.00 O ATOM 1518 CB VAL A 96 9.638 1.441 -6.317 1.00 0.00 C ATOM 1519 CG1 VAL A 96 9.797 2.067 -7.743 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.745 0.328 -6.118 1.00 0.00 C ATOM 0 H VAL A 96 9.280 4.534 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 96 8.922 1.747 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 96 8.675 0.935 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.928 1.272 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.905 2.644 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.668 2.722 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.775 -0.316 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.717 0.802 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.506 -0.269 -5.238 1.00 0.00 H new ATOM 1530 N GLY A 97 10.692 2.944 -3.070 1.00 0.00 N ATOM 1531 CA GLY A 97 11.801 3.309 -2.252 1.00 0.00 C ATOM 1532 C GLY A 97 11.409 2.884 -0.770 1.00 0.00 C ATOM 1533 O GLY A 97 10.432 2.220 -0.386 1.00 0.00 O ATOM 0 H GLY A 97 9.913 2.565 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.709 2.801 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.995 4.380 -2.313 1.00 0.00 H new ATOM 1537 N ALA A 98 12.219 3.509 0.042 1.00 0.00 N ATOM 1538 CA ALA A 98 12.213 3.321 1.508 1.00 0.00 C ATOM 1539 C ALA A 98 12.748 4.620 2.200 1.00 0.00 C ATOM 1540 O ALA A 98 13.913 4.834 2.415 1.00 0.00 O ATOM 1541 CB ALA A 98 12.897 1.982 1.954 1.00 0.00 C ATOM 0 H ALA A 98 12.920 4.177 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 98 11.189 3.186 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.862 1.900 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.370 1.138 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.936 1.976 1.623 1.00 0.00 H new ATOM 1547 N ASP A 99 11.740 5.478 2.562 1.00 0.00 N ATOM 1548 CA ASP A 99 12.061 6.877 2.973 1.00 0.00 C ATOM 1549 C ASP A 99 10.862 7.367 3.885 1.00 0.00 C ATOM 1550 O ASP A 99 9.735 7.502 3.555 1.00 0.00 O ATOM 1551 CB ASP A 99 12.231 7.776 1.748 1.00 0.00 C ATOM 1552 CG ASP A 99 13.038 9.028 1.982 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.528 10.067 2.402 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.332 9.006 1.559 1.00 0.00 O ATOM 0 H ASP A 99 10.749 5.238 2.577 1.00 0.00 H new ATOM 0 HA ASP A 99 13.002 6.920 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.707 7.198 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.243 8.061 1.386 1.00 0.00 H new ATOM 1560 N LYS A 100 11.326 7.602 5.131 1.00 0.00 N ATOM 1561 CA LYS A 100 10.544 8.081 6.343 1.00 0.00 C ATOM 1562 C LYS A 100 9.630 9.360 6.193 1.00 0.00 C ATOM 1563 O LYS A 100 8.417 9.348 6.480 1.00 0.00 O ATOM 1564 CB LYS A 100 11.443 8.083 7.608 1.00 0.00 C ATOM 1565 CG LYS A 100 12.597 9.146 7.595 1.00 0.00 C ATOM 1566 CD LYS A 100 13.247 9.205 9.006 1.00 0.00 C ATOM 1567 CE LYS A 100 14.545 10.032 9.195 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.032 10.044 10.586 1.00 0.00 N ATOM 0 H LYS A 100 12.311 7.461 5.355 1.00 0.00 H new ATOM 0 HA LYS A 100 9.763 7.329 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.816 8.259 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.882 7.092 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.344 8.881 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.204 10.125 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.501 9.598 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.460 8.182 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.323 9.626 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.365 11.057 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.901 10.613 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.305 10.457 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.234 9.071 10.891 1.00 0.00 H new ATOM 1581 N ASP A 101 10.224 10.455 5.665 1.00 0.00 N ATOM 1582 CA ASP A 101 9.543 11.670 5.251 1.00 0.00 C ATOM 1583 C ASP A 101 8.821 11.588 3.874 1.00 0.00 C ATOM 1584 O ASP A 101 7.618 12.038 3.761 1.00 0.00 O ATOM 1585 CB ASP A 101 10.554 12.853 5.307 1.00 0.00 C ATOM 1586 CG ASP A 101 11.558 13.137 4.166 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.687 12.595 4.031 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.043 14.101 3.302 1.00 0.00 O ATOM 0 H ASP A 101 11.232 10.502 5.516 1.00 0.00 H new ATOM 0 HA ASP A 101 8.726 11.831 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.966 13.761 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.142 12.719 6.215 1.00 0.00 H new ATOM 1594 N GLY A 102 9.427 11.023 2.828 1.00 0.00 N ATOM 1595 CA GLY A 102 8.850 10.788 1.471 1.00 0.00 C ATOM 1596 C GLY A 102 7.417 10.212 1.320 1.00 0.00 C ATOM 1597 O GLY A 102 6.525 10.708 0.658 1.00 0.00 O ATOM 0 H GLY A 102 10.390 10.692 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.873 11.740 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.526 10.114 0.945 1.00 0.00 H new ATOM 1601 N LEU A 103 7.267 9.042 1.951 1.00 0.00 N ATOM 1602 CA LEU A 103 5.963 8.329 2.066 1.00 0.00 C ATOM 1603 C LEU A 103 4.753 9.171 2.667 1.00 0.00 C ATOM 1604 O LEU A 103 3.721 9.290 2.006 1.00 0.00 O ATOM 1605 CB LEU A 103 6.230 6.884 2.687 1.00 0.00 C ATOM 1606 CG LEU A 103 4.972 5.994 3.029 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.160 5.683 1.746 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.313 4.791 3.875 1.00 0.00 C ATOM 0 H LEU A 103 8.040 8.551 2.401 1.00 0.00 H new ATOM 0 HA LEU A 103 5.554 8.182 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.855 6.328 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.810 7.013 3.601 1.00 0.00 H new ATOM 0 HG LEU A 103 4.308 6.571 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.297 5.069 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.821 6.616 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.791 5.146 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.407 4.219 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.028 4.163 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.751 5.121 4.817 1.00 0.00 H new ATOM 1620 N PRO A 104 4.813 9.844 3.875 1.00 0.00 N ATOM 1621 CA PRO A 104 3.872 10.974 4.205 1.00 0.00 C ATOM 1622 C PRO A 104 3.690 12.136 3.109 1.00 0.00 C ATOM 1623 O PRO A 104 2.529 12.514 2.805 1.00 0.00 O ATOM 1624 CB PRO A 104 4.311 11.469 5.572 1.00 0.00 C ATOM 1625 CG PRO A 104 4.874 10.261 6.232 1.00 0.00 C ATOM 1626 CD PRO A 104 5.538 9.479 5.074 1.00 0.00 C ATOM 0 HA PRO A 104 2.851 10.593 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.055 12.261 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.473 11.877 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.599 10.527 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.096 9.672 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.593 9.736 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.486 8.404 5.249 1.00 0.00 H new ATOM 1634 N THR A 105 4.815 12.658 2.595 1.00 0.00 N ATOM 1635 CA THR A 105 4.851 13.782 1.554 1.00 0.00 C ATOM 1636 C THR A 105 3.987 13.389 0.325 1.00 0.00 C ATOM 1637 O THR A 105 3.037 14.088 -0.027 1.00 0.00 O ATOM 1638 CB THR A 105 6.181 14.406 1.131 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.841 14.815 2.338 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.182 15.692 0.337 1.00 0.00 C ATOM 0 H THR A 105 5.743 12.336 2.868 1.00 0.00 H new ATOM 0 HA THR A 105 4.432 14.617 2.115 1.00 0.00 H new ATOM 0 HB THR A 105 6.617 13.631 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.130 14.023 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.209 15.988 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.647 15.541 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.690 16.476 0.913 1.00 0.00 H new ATOM 1648 N LEU A 106 4.365 12.284 -0.327 1.00 0.00 N ATOM 1649 CA LEU A 106 3.622 11.605 -1.454 1.00 0.00 C ATOM 1650 C LEU A 106 2.059 11.311 -1.146 1.00 0.00 C ATOM 1651 O LEU A 106 1.179 11.708 -1.903 1.00 0.00 O ATOM 1652 CB LEU A 106 4.447 10.352 -1.728 1.00 0.00 C ATOM 1653 CG LEU A 106 3.954 9.223 -2.655 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.575 9.672 -4.067 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.852 7.994 -2.712 1.00 0.00 C ATOM 0 H LEU A 106 5.231 11.799 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 106 3.543 12.247 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.403 10.689 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.650 9.894 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 106 3.034 8.919 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.241 8.811 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.771 10.406 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.443 10.120 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.419 7.258 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.840 8.282 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.940 7.561 -1.715 1.00 0.00 H new ATOM 1667 N VAL A 107 1.733 10.586 -0.081 1.00 0.00 N ATOM 1668 CA VAL A 107 0.300 10.372 0.462 1.00 0.00 C ATOM 1669 C VAL A 107 -0.503 11.666 0.778 1.00 0.00 C ATOM 1670 O VAL A 107 -1.636 11.706 0.355 1.00 0.00 O ATOM 1671 CB VAL A 107 0.282 9.319 1.632 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.108 9.122 2.293 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.768 7.995 1.137 1.00 0.00 C ATOM 0 H VAL A 107 2.437 10.100 0.475 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.259 9.949 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 107 0.943 9.725 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.031 8.381 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.449 10.069 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.822 8.778 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.752 7.273 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.120 7.647 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.787 8.098 0.764 1.00 0.00 H new ATOM 1683 N ALA A 108 0.100 12.679 1.479 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.529 14.034 1.596 1.00 0.00 C ATOM 1685 C ALA A 108 -1.025 14.660 0.303 1.00 0.00 C ATOM 1686 O ALA A 108 -2.231 14.952 0.151 1.00 0.00 O ATOM 1687 CB ALA A 108 0.358 14.935 2.437 1.00 0.00 C ATOM 0 H ALA A 108 0.996 12.586 1.958 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.475 13.893 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.100 15.920 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.477 14.504 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.335 15.029 1.963 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.116 14.817 -0.665 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.439 15.202 -2.047 1.00 0.00 C ATOM 1695 C LYS A 109 -1.484 14.353 -2.806 1.00 0.00 C ATOM 1696 O LYS A 109 -2.309 14.881 -3.550 1.00 0.00 O ATOM 1697 CB LYS A 109 0.880 15.180 -2.876 1.00 0.00 C ATOM 1698 CG LYS A 109 1.884 16.308 -2.538 1.00 0.00 C ATOM 1699 CD LYS A 109 3.113 16.116 -3.430 1.00 0.00 C ATOM 1700 CE LYS A 109 4.235 17.086 -3.161 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.350 17.017 -4.137 1.00 0.00 N ATOM 0 H LYS A 109 0.882 14.678 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.903 16.183 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.371 14.219 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.627 15.244 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.434 17.286 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.165 16.268 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.487 15.101 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.809 16.211 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.831 18.099 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.630 16.899 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.079 17.714 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.764 16.063 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.990 17.226 -5.090 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.564 12.987 -2.638 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.573 12.072 -3.113 1.00 0.00 C ATOM 1716 C HIS A 110 -4.006 12.274 -2.498 1.00 0.00 C ATOM 1717 O HIS A 110 -4.941 12.588 -3.203 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.152 10.569 -3.102 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.517 10.034 -4.409 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.213 9.415 -5.431 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.126 10.018 -4.754 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.228 9.435 -6.392 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.067 9.738 -6.057 1.00 0.00 N ATOM 0 H HIS A 110 -0.841 12.492 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.656 12.360 -4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.443 10.416 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.032 9.967 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.673 10.208 -4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.477 9.210 -7.419 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.916 9.748 -6.622 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.098 12.157 -1.172 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.290 12.495 -0.402 1.00 0.00 C ATOM 1733 C ALA A 111 -5.878 13.968 -0.622 1.00 0.00 C ATOM 1734 O ALA A 111 -7.074 14.088 -0.925 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.918 12.193 1.103 1.00 0.00 C ATOM 0 H ALA A 111 -3.329 11.818 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.126 11.889 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.770 12.425 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.660 11.139 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.066 12.806 1.397 1.00 0.00 H new ATOM 1741 N THR A 112 -5.093 15.038 -0.506 1.00 0.00 N ATOM 1742 CA THR A 112 -5.430 16.415 -0.883 1.00 0.00 C ATOM 1743 C THR A 112 -5.973 16.653 -2.360 1.00 0.00 C ATOM 1744 O THR A 112 -7.010 17.315 -2.575 1.00 0.00 O ATOM 1745 CB THR A 112 -4.223 17.317 -0.576 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.716 17.112 0.785 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.510 18.844 -0.563 1.00 0.00 C ATOM 0 H THR A 112 -4.150 14.966 -0.125 1.00 0.00 H new ATOM 0 HA THR A 112 -6.297 16.676 -0.276 1.00 0.00 H new ATOM 0 HB THR A 112 -3.542 17.037 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.084 16.363 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.591 19.385 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.881 19.153 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.259 19.067 0.197 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.318 16.033 -3.378 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.759 15.926 -4.759 1.00 0.00 C ATOM 1757 C ALA A 113 -7.113 15.044 -4.934 1.00 0.00 C ATOM 1758 O ALA A 113 -7.190 13.841 -4.778 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.558 15.305 -5.586 1.00 0.00 C ATOM 1760 OXT ALA A 113 -8.173 15.829 -5.214 1.00 0.00 O ATOM 0 H ALA A 113 -4.419 15.575 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.022 16.917 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.849 15.207 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.688 15.958 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.310 14.322 -5.185 1.00 0.00 H new TER 1767 ALA A 113