USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 688 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 32 LYS NZ :NH3+ 176:sc= 1.88 (180deg=0.61) USER MOD Set 1.2: A 62 THR OG1 : rot -42:sc= 1.02 USER MOD Set 2.1: A 10 THR OG1 : rot 108:sc= 0.254 USER MOD Set 2.2: A 49 GLN : amide:sc= -3.06! C(o=-4.1!,f=-7.9!) USER MOD Set 2.3: A 80 HIS : no HD1:sc= -1.33 K(o=-4.1,f=-6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 1.51 (180deg=0.162) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -30:sc= -0.502 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.0224 USER MOD Single : A 12 ASN : amide:sc= 0.152 K(o=0.15,f=-6.2!) USER MOD Single : A 14 THR OG1 : rot 24:sc= 1.27 USER MOD Single : A 18 MET CE :methyl -170:sc= 0 (180deg=-0.0613) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -155:sc= -2.62! (180deg=-3.81!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.023 USER MOD Single : A 29 ASN : amide:sc= -3.02! C(o=-3!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0267) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -151:sc= -0.638 (180deg=-1.73) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0.392 (180deg=0.305) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -102:sc= 0.0197 USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 0.968 (180deg=-0.0892!) USER MOD Single : A 77 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 85 THR OG1 : rot 31:sc= 1.28 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.862 5.159 -3.691 1.00 0.00 N ATOM 2 CA MET A 1 -18.589 4.083 -4.379 1.00 0.00 C ATOM 3 C MET A 1 -18.237 2.780 -3.711 1.00 0.00 C ATOM 4 O MET A 1 -17.329 2.750 -2.871 1.00 0.00 O ATOM 5 CB MET A 1 -18.181 3.992 -5.871 1.00 0.00 C ATOM 6 CG MET A 1 -18.424 5.242 -6.716 1.00 0.00 C ATOM 7 SD MET A 1 -17.373 6.641 -6.252 1.00 0.00 S ATOM 8 CE MET A 1 -17.935 7.875 -7.424 1.00 0.00 C ATOM 0 H1 MET A 1 -17.384 5.759 -4.393 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.532 5.735 -3.142 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.155 4.746 -3.050 1.00 0.00 H new ATOM 0 HA MET A 1 -19.658 4.290 -4.324 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.120 3.746 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.723 3.162 -6.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.253 5.001 -7.765 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.469 5.536 -6.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.383 8.802 -7.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.765 7.516 -8.439 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.999 8.058 -7.277 1.00 0.00 H new ATOM 18 N THR A 2 -18.938 1.712 -4.050 1.00 0.00 N ATOM 19 CA THR A 2 -18.560 0.415 -3.581 1.00 0.00 C ATOM 20 C THR A 2 -17.372 -0.002 -4.431 1.00 0.00 C ATOM 21 O THR A 2 -17.512 -0.241 -5.638 1.00 0.00 O ATOM 22 CB THR A 2 -19.712 -0.592 -3.772 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.891 -0.096 -3.122 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.350 -1.950 -3.189 1.00 0.00 C ATOM 0 H THR A 2 -19.766 1.729 -4.646 1.00 0.00 H new ATOM 0 HA THR A 2 -18.319 0.437 -2.518 1.00 0.00 H new ATOM 0 HB THR A 2 -19.894 -0.710 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.625 -0.734 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.179 -2.642 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.462 -2.336 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.149 -1.846 -2.123 1.00 0.00 H new ATOM 32 N GLU A 3 -16.229 -0.082 -3.822 1.00 0.00 N ATOM 33 CA GLU A 3 -15.014 -0.291 -4.544 1.00 0.00 C ATOM 34 C GLU A 3 -13.989 -0.902 -3.627 1.00 0.00 C ATOM 35 O GLU A 3 -13.542 -0.276 -2.671 1.00 0.00 O ATOM 36 CB GLU A 3 -14.567 1.064 -5.071 1.00 0.00 C ATOM 37 CG GLU A 3 -13.320 1.081 -5.895 1.00 0.00 C ATOM 38 CD GLU A 3 -13.041 2.468 -6.383 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.658 3.328 -5.574 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.256 2.744 -7.576 1.00 0.00 O ATOM 0 H GLU A 3 -16.113 -0.004 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.149 -0.978 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.377 1.481 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.423 1.730 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.479 0.720 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.426 0.404 -6.743 1.00 0.00 H new ATOM 47 N VAL A 4 -13.635 -2.121 -3.914 1.00 0.00 N ATOM 48 CA VAL A 4 -12.750 -2.888 -3.084 1.00 0.00 C ATOM 49 C VAL A 4 -11.540 -3.397 -3.844 1.00 0.00 C ATOM 50 O VAL A 4 -11.561 -3.578 -5.070 1.00 0.00 O ATOM 51 CB VAL A 4 -13.481 -4.060 -2.383 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.469 -3.531 -1.358 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.215 -4.909 -3.402 1.00 0.00 C ATOM 0 H VAL A 4 -13.958 -2.618 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.393 -2.203 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.735 -4.673 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.974 -4.367 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.937 -2.946 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.206 -2.900 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.724 -5.728 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.948 -4.296 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.502 -5.314 -4.120 1.00 0.00 H new ATOM 63 N TYR A 5 -10.507 -3.579 -3.105 1.00 0.00 N ATOM 64 CA TYR A 5 -9.225 -4.010 -3.558 1.00 0.00 C ATOM 65 C TYR A 5 -8.828 -5.266 -2.749 1.00 0.00 C ATOM 66 O TYR A 5 -8.956 -5.271 -1.528 1.00 0.00 O ATOM 67 CB TYR A 5 -8.271 -2.807 -3.272 1.00 0.00 C ATOM 68 CG TYR A 5 -6.770 -2.966 -3.485 1.00 0.00 C ATOM 69 CD1 TYR A 5 -6.185 -4.167 -3.802 1.00 0.00 C ATOM 70 CD2 TYR A 5 -5.942 -1.880 -3.310 1.00 0.00 C ATOM 71 CE1 TYR A 5 -4.830 -4.293 -3.935 1.00 0.00 C ATOM 72 CE2 TYR A 5 -4.584 -1.995 -3.450 1.00 0.00 C ATOM 73 CZ TYR A 5 -4.038 -3.208 -3.759 1.00 0.00 C ATOM 74 OH TYR A 5 -2.693 -3.341 -3.887 1.00 0.00 O ATOM 0 H TYR A 5 -10.532 -3.421 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.193 -4.278 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.602 -1.974 -3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.423 -2.510 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.811 -5.034 -3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.370 -0.921 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.394 -5.251 -4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.949 -1.132 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.428 -4.248 -3.628 1.00 0.00 H new ATOM 84 N ASP A 6 -8.393 -6.325 -3.432 1.00 0.00 N ATOM 85 CA ASP A 6 -7.859 -7.516 -2.747 1.00 0.00 C ATOM 86 C ASP A 6 -6.372 -7.344 -2.670 1.00 0.00 C ATOM 87 O ASP A 6 -5.694 -7.298 -3.715 1.00 0.00 O ATOM 88 CB ASP A 6 -8.098 -8.809 -3.528 1.00 0.00 C ATOM 89 CG ASP A 6 -9.524 -9.082 -3.900 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.257 -9.690 -3.116 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.928 -8.720 -5.023 1.00 0.00 O ATOM 0 H ASP A 6 -8.397 -6.389 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.355 -7.597 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.502 -8.778 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.729 -9.645 -2.934 1.00 0.00 H new ATOM 96 N LEU A 7 -5.863 -7.234 -1.495 1.00 0.00 N ATOM 97 CA LEU A 7 -4.463 -7.028 -1.293 1.00 0.00 C ATOM 98 C LEU A 7 -3.831 -8.288 -0.784 1.00 0.00 C ATOM 99 O LEU A 7 -4.487 -9.099 -0.126 1.00 0.00 O ATOM 100 CB LEU A 7 -4.189 -5.948 -0.225 1.00 0.00 C ATOM 101 CG LEU A 7 -4.681 -4.511 -0.441 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.186 -4.403 -0.334 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.019 -3.588 0.543 1.00 0.00 C ATOM 0 H LEU A 7 -6.408 -7.284 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.052 -6.720 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.622 -6.301 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.110 -5.902 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.408 -4.217 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.489 -3.368 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.651 -5.038 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.504 -4.725 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.374 -2.570 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.264 -3.902 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.939 -3.622 0.403 1.00 0.00 H new ATOM 115 N GLU A 8 -2.574 -8.449 -1.071 1.00 0.00 N ATOM 116 CA GLU A 8 -1.808 -9.489 -0.466 1.00 0.00 C ATOM 117 C GLU A 8 -0.852 -8.799 0.456 1.00 0.00 C ATOM 118 O GLU A 8 0.006 -8.042 0.024 1.00 0.00 O ATOM 119 CB GLU A 8 -1.065 -10.323 -1.495 1.00 0.00 C ATOM 120 CG GLU A 8 -0.318 -11.504 -0.891 1.00 0.00 C ATOM 121 CD GLU A 8 0.404 -12.325 -1.921 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.269 -12.948 -2.765 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.652 -12.358 -1.904 1.00 0.00 O ATOM 0 H GLU A 8 -2.056 -7.865 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.453 -10.189 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.776 -10.692 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.356 -9.686 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.400 -11.137 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.024 -12.139 -0.356 1.00 0.00 H new ATOM 130 N ILE A 9 -1.020 -9.033 1.699 1.00 0.00 N ATOM 131 CA ILE A 9 -0.291 -8.340 2.717 1.00 0.00 C ATOM 132 C ILE A 9 0.919 -9.129 3.137 1.00 0.00 C ATOM 133 O ILE A 9 0.856 -10.356 3.326 1.00 0.00 O ATOM 134 CB ILE A 9 -1.188 -8.084 3.967 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.458 -7.285 3.600 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.414 -7.379 5.083 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.187 -5.907 3.022 1.00 0.00 C ATOM 0 H ILE A 9 -1.679 -9.724 2.058 1.00 0.00 H new ATOM 0 HA ILE A 9 0.026 -7.384 2.299 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.498 -9.061 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.039 -7.860 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.075 -7.177 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.072 -7.218 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.430 -7.998 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.048 -6.418 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.133 -5.416 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.635 -5.310 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.598 -6.004 2.110 1.00 0.00 H new ATOM 149 N THR A 10 2.004 -8.428 3.255 1.00 0.00 N ATOM 150 CA THR A 10 3.236 -8.953 3.741 1.00 0.00 C ATOM 151 C THR A 10 3.858 -7.958 4.684 1.00 0.00 C ATOM 152 O THR A 10 3.558 -6.773 4.638 1.00 0.00 O ATOM 153 CB THR A 10 4.235 -9.265 2.610 1.00 0.00 C ATOM 154 OG1 THR A 10 4.340 -8.148 1.723 1.00 0.00 O ATOM 155 CG2 THR A 10 3.863 -10.515 1.852 1.00 0.00 C ATOM 0 H THR A 10 2.055 -7.440 3.006 1.00 0.00 H new ATOM 0 HA THR A 10 3.013 -9.891 4.250 1.00 0.00 H new ATOM 0 HB THR A 10 5.206 -9.448 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.207 -7.710 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.595 -10.695 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.849 -11.364 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.876 -10.391 1.407 1.00 0.00 H new ATOM 163 N THR A 11 4.665 -8.434 5.541 1.00 0.00 N ATOM 164 CA THR A 11 5.387 -7.649 6.470 1.00 0.00 C ATOM 165 C THR A 11 6.679 -8.401 6.699 1.00 0.00 C ATOM 166 O THR A 11 6.798 -9.562 6.307 1.00 0.00 O ATOM 167 CB THR A 11 4.638 -7.529 7.825 1.00 0.00 C ATOM 168 OG1 THR A 11 3.252 -7.273 7.600 1.00 0.00 O ATOM 169 CG2 THR A 11 5.188 -6.375 8.667 1.00 0.00 C ATOM 0 H THR A 11 4.855 -9.433 5.624 1.00 0.00 H new ATOM 0 HA THR A 11 5.531 -6.638 6.089 1.00 0.00 H new ATOM 0 HB THR A 11 4.781 -8.471 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.762 -7.359 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.642 -6.319 9.609 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.245 -6.545 8.870 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.069 -5.438 8.122 1.00 0.00 H new ATOM 177 N ASN A 12 7.606 -7.770 7.314 1.00 0.00 N ATOM 178 CA ASN A 12 8.900 -8.359 7.630 1.00 0.00 C ATOM 179 C ASN A 12 8.747 -9.465 8.670 1.00 0.00 C ATOM 180 O ASN A 12 9.618 -10.315 8.828 1.00 0.00 O ATOM 181 CB ASN A 12 9.865 -7.277 8.146 1.00 0.00 C ATOM 182 CG ASN A 12 9.358 -6.536 9.390 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.683 -5.513 9.276 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.678 -7.034 10.565 1.00 0.00 N ATOM 0 H ASN A 12 7.508 -6.805 7.630 1.00 0.00 H new ATOM 0 HA ASN A 12 9.312 -8.795 6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.825 -7.740 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.043 -6.553 7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.365 -6.570 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.239 -7.884 10.623 1.00 0.00 H new ATOM 191 N ALA A 13 7.629 -9.443 9.366 1.00 0.00 N ATOM 192 CA ALA A 13 7.352 -10.395 10.397 1.00 0.00 C ATOM 193 C ALA A 13 6.401 -11.500 9.922 1.00 0.00 C ATOM 194 O ALA A 13 6.090 -12.412 10.675 1.00 0.00 O ATOM 195 CB ALA A 13 6.775 -9.686 11.610 1.00 0.00 C ATOM 0 H ALA A 13 6.889 -8.756 9.224 1.00 0.00 H new ATOM 0 HA ALA A 13 8.292 -10.875 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.566 -10.415 12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.493 -8.954 11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.851 -9.179 11.330 1.00 0.00 H new ATOM 201 N THR A 14 5.946 -11.428 8.681 1.00 0.00 N ATOM 202 CA THR A 14 5.004 -12.418 8.187 1.00 0.00 C ATOM 203 C THR A 14 5.675 -13.352 7.211 1.00 0.00 C ATOM 204 O THR A 14 6.316 -12.901 6.256 1.00 0.00 O ATOM 205 CB THR A 14 3.814 -11.757 7.462 1.00 0.00 C ATOM 206 OG1 THR A 14 4.311 -10.981 6.359 1.00 0.00 O ATOM 207 CG2 THR A 14 3.013 -10.867 8.400 1.00 0.00 C ATOM 0 H THR A 14 6.208 -10.708 8.008 1.00 0.00 H new ATOM 0 HA THR A 14 4.644 -12.967 9.057 1.00 0.00 H new ATOM 0 HB THR A 14 3.148 -12.542 7.102 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.182 -11.332 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.183 -10.418 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.625 -11.464 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.657 -10.080 8.793 1.00 0.00 H new ATOM 215 N ASP A 15 5.533 -14.619 7.432 1.00 0.00 N ATOM 216 CA ASP A 15 6.054 -15.616 6.513 1.00 0.00 C ATOM 217 C ASP A 15 4.965 -16.022 5.548 1.00 0.00 C ATOM 218 O ASP A 15 5.222 -16.400 4.402 1.00 0.00 O ATOM 219 CB ASP A 15 6.554 -16.840 7.274 1.00 0.00 C ATOM 220 CG ASP A 15 7.041 -17.940 6.358 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.168 -17.832 5.836 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.300 -18.935 6.152 1.00 0.00 O ATOM 0 H ASP A 15 5.057 -15.005 8.247 1.00 0.00 H new ATOM 0 HA ASP A 15 6.892 -15.187 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.364 -16.542 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.751 -17.225 7.902 1.00 0.00 H new ATOM 227 N PHE A 16 3.750 -15.920 6.014 1.00 0.00 N ATOM 228 CA PHE A 16 2.591 -16.276 5.247 1.00 0.00 C ATOM 229 C PHE A 16 1.941 -15.023 4.652 1.00 0.00 C ATOM 230 O PHE A 16 1.599 -14.094 5.388 1.00 0.00 O ATOM 231 CB PHE A 16 1.597 -17.011 6.158 1.00 0.00 C ATOM 232 CG PHE A 16 0.324 -17.432 5.492 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.302 -18.518 4.640 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.857 -16.747 5.732 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.865 -18.914 4.035 1.00 0.00 C ATOM 236 CE2 PHE A 16 -2.032 -17.138 5.127 1.00 0.00 C ATOM 237 CZ PHE A 16 -2.035 -18.224 4.279 1.00 0.00 C ATOM 0 H PHE A 16 3.536 -15.582 6.952 1.00 0.00 H new ATOM 0 HA PHE A 16 2.884 -16.929 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.086 -17.895 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.352 -16.364 7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.214 -19.063 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.856 -15.898 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.867 -19.764 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.946 -16.596 5.317 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.954 -18.536 3.805 1.00 0.00 H new ATOM 247 N PRO A 17 1.785 -14.966 3.316 1.00 0.00 N ATOM 248 CA PRO A 17 1.105 -13.855 2.656 1.00 0.00 C ATOM 249 C PRO A 17 -0.401 -13.921 2.912 1.00 0.00 C ATOM 250 O PRO A 17 -1.041 -14.962 2.692 1.00 0.00 O ATOM 251 CB PRO A 17 1.390 -14.071 1.160 1.00 0.00 C ATOM 252 CG PRO A 17 2.406 -15.165 1.088 1.00 0.00 C ATOM 253 CD PRO A 17 2.265 -15.961 2.348 1.00 0.00 C ATOM 0 HA PRO A 17 1.448 -12.886 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.481 -14.347 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.766 -13.158 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.239 -15.792 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.412 -14.755 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.558 -16.782 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.214 -16.399 2.657 1.00 0.00 H new ATOM 261 N MET A 18 -0.961 -12.838 3.363 1.00 0.00 N ATOM 262 CA MET A 18 -2.362 -12.808 3.718 1.00 0.00 C ATOM 263 C MET A 18 -3.140 -11.974 2.729 1.00 0.00 C ATOM 264 O MET A 18 -2.778 -10.846 2.456 1.00 0.00 O ATOM 265 CB MET A 18 -2.536 -12.241 5.133 1.00 0.00 C ATOM 266 CG MET A 18 -3.983 -12.141 5.594 1.00 0.00 C ATOM 267 SD MET A 18 -4.145 -11.427 7.243 1.00 0.00 S ATOM 268 CE MET A 18 -5.928 -11.431 7.416 1.00 0.00 C ATOM 0 H MET A 18 -0.471 -11.954 3.497 1.00 0.00 H new ATOM 0 HA MET A 18 -2.747 -13.827 3.694 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.986 -12.869 5.834 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.085 -11.249 5.173 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.544 -11.534 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.431 -13.135 5.588 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.209 -10.861 8.302 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.380 -10.977 6.534 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.281 -12.457 7.518 1.00 0.00 H new ATOM 278 N GLU A 19 -4.192 -12.517 2.208 1.00 0.00 N ATOM 279 CA GLU A 19 -5.018 -11.810 1.287 1.00 0.00 C ATOM 280 C GLU A 19 -6.143 -11.164 2.045 1.00 0.00 C ATOM 281 O GLU A 19 -6.901 -11.827 2.761 1.00 0.00 O ATOM 282 CB GLU A 19 -5.530 -12.687 0.121 1.00 0.00 C ATOM 283 CG GLU A 19 -6.291 -13.954 0.509 1.00 0.00 C ATOM 284 CD GLU A 19 -5.419 -15.023 1.130 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.219 -15.008 2.360 1.00 0.00 O ATOM 286 OE2 GLU A 19 -4.918 -15.887 0.392 1.00 0.00 O ATOM 0 H GLU A 19 -4.503 -13.467 2.411 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.412 -11.042 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.180 -12.077 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.675 -12.975 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.083 -13.691 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.774 -14.363 -0.378 1.00 0.00 H new ATOM 293 N LYS A 20 -6.242 -9.895 1.913 1.00 0.00 N ATOM 294 CA LYS A 20 -7.171 -9.129 2.674 1.00 0.00 C ATOM 295 C LYS A 20 -7.761 -8.036 1.799 1.00 0.00 C ATOM 296 O LYS A 20 -7.044 -7.376 1.056 1.00 0.00 O ATOM 297 CB LYS A 20 -6.429 -8.557 3.886 1.00 0.00 C ATOM 298 CG LYS A 20 -7.252 -7.728 4.840 1.00 0.00 C ATOM 299 CD LYS A 20 -8.383 -8.507 5.490 1.00 0.00 C ATOM 300 CE LYS A 20 -9.151 -7.617 6.455 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.252 -8.326 7.132 1.00 0.00 N ATOM 0 H LYS A 20 -5.676 -9.346 1.267 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.999 -9.743 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.991 -9.386 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.603 -7.944 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.601 -7.328 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.668 -6.875 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.057 -8.890 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.981 -9.369 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.464 -7.223 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.555 -6.763 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.741 -7.673 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.925 -8.680 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.868 -9.126 7.675 1.00 0.00 H new ATOM 315 N LYS A 21 -9.052 -7.874 1.874 1.00 0.00 N ATOM 316 CA LYS A 21 -9.757 -6.926 1.050 1.00 0.00 C ATOM 317 C LYS A 21 -10.058 -5.629 1.808 1.00 0.00 C ATOM 318 O LYS A 21 -10.532 -5.654 2.947 1.00 0.00 O ATOM 319 CB LYS A 21 -11.052 -7.572 0.550 1.00 0.00 C ATOM 320 CG LYS A 21 -11.907 -6.691 -0.343 1.00 0.00 C ATOM 321 CD LYS A 21 -13.151 -7.426 -0.837 1.00 0.00 C ATOM 322 CE LYS A 21 -12.785 -8.641 -1.675 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.972 -9.305 -2.249 1.00 0.00 N ATOM 0 H LYS A 21 -9.651 -8.398 2.512 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.125 -6.659 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.799 -8.481 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.646 -7.874 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.206 -5.798 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.318 -6.358 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.753 -7.739 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.765 -6.747 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.117 -8.336 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.236 -9.353 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.672 -10.127 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.598 -9.621 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.483 -8.636 -2.859 1.00 0.00 H new ATOM 337 N TYR A 22 -9.781 -4.517 1.166 1.00 0.00 N ATOM 338 CA TYR A 22 -10.041 -3.192 1.708 1.00 0.00 C ATOM 339 C TYR A 22 -10.649 -2.326 0.613 1.00 0.00 C ATOM 340 O TYR A 22 -10.469 -2.627 -0.564 1.00 0.00 O ATOM 341 CB TYR A 22 -8.747 -2.520 2.224 1.00 0.00 C ATOM 342 CG TYR A 22 -8.112 -3.149 3.449 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.636 -2.921 4.711 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.973 -3.933 3.347 1.00 0.00 C ATOM 345 CE1 TYR A 22 -8.047 -3.456 5.836 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.380 -4.477 4.465 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.920 -4.234 5.706 1.00 0.00 C ATOM 348 OH TYR A 22 -6.321 -4.769 6.831 1.00 0.00 O ATOM 0 H TYR A 22 -9.361 -4.502 0.236 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.725 -3.295 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.014 -2.523 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.968 -1.477 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.522 -2.313 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.543 -4.120 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.467 -3.266 6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.497 -5.090 4.367 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.537 -5.294 6.566 1.00 0.00 H new ATOM 358 N PRO A 23 -11.394 -1.262 0.964 1.00 0.00 N ATOM 359 CA PRO A 23 -11.959 -0.349 -0.031 1.00 0.00 C ATOM 360 C PRO A 23 -10.862 0.455 -0.730 1.00 0.00 C ATOM 361 O PRO A 23 -9.965 0.993 -0.072 1.00 0.00 O ATOM 362 CB PRO A 23 -12.847 0.596 0.788 1.00 0.00 C ATOM 363 CG PRO A 23 -12.988 -0.045 2.125 1.00 0.00 C ATOM 364 CD PRO A 23 -11.754 -0.866 2.333 1.00 0.00 C ATOM 0 HA PRO A 23 -12.500 -0.884 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.394 1.584 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.819 0.730 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.090 0.707 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.881 -0.669 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.961 -0.291 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.946 -1.731 2.968 1.00 0.00 H new ATOM 372 N ALA A 24 -10.935 0.562 -2.053 1.00 0.00 N ATOM 373 CA ALA A 24 -9.902 1.289 -2.805 1.00 0.00 C ATOM 374 C ALA A 24 -10.043 2.794 -2.643 1.00 0.00 C ATOM 375 O ALA A 24 -9.113 3.560 -2.948 1.00 0.00 O ATOM 376 CB ALA A 24 -9.887 0.889 -4.270 1.00 0.00 C ATOM 0 H ALA A 24 -11.681 0.165 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.939 1.005 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.110 1.448 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.684 -0.179 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.856 1.110 -4.718 1.00 0.00 H new ATOM 382 N GLY A 25 -11.194 3.204 -2.156 1.00 0.00 N ATOM 383 CA GLY A 25 -11.466 4.604 -1.921 1.00 0.00 C ATOM 384 C GLY A 25 -11.212 5.007 -0.477 1.00 0.00 C ATOM 385 O GLY A 25 -11.497 6.144 -0.079 1.00 0.00 O ATOM 0 H GLY A 25 -11.963 2.580 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.842 5.208 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.503 4.819 -2.179 1.00 0.00 H new ATOM 389 N MET A 26 -10.699 4.079 0.314 1.00 0.00 N ATOM 390 CA MET A 26 -10.364 4.359 1.703 1.00 0.00 C ATOM 391 C MET A 26 -8.930 4.910 1.755 1.00 0.00 C ATOM 392 O MET A 26 -8.191 4.801 0.773 1.00 0.00 O ATOM 393 CB MET A 26 -10.490 3.066 2.556 1.00 0.00 C ATOM 394 CG MET A 26 -10.244 3.199 4.082 1.00 0.00 C ATOM 395 SD MET A 26 -11.606 3.945 5.071 1.00 0.00 S ATOM 396 CE MET A 26 -11.829 5.588 4.375 1.00 0.00 C ATOM 0 H MET A 26 -10.505 3.122 0.018 1.00 0.00 H new ATOM 0 HA MET A 26 -11.053 5.097 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.491 2.660 2.409 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.787 2.332 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.036 2.207 4.482 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.346 3.798 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.265 6.246 5.127 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.863 5.985 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.494 5.531 3.513 1.00 0.00 H new ATOM 406 N SER A 27 -8.537 5.475 2.872 1.00 0.00 N ATOM 407 CA SER A 27 -7.230 6.032 3.010 1.00 0.00 C ATOM 408 C SER A 27 -6.223 4.969 3.358 1.00 0.00 C ATOM 409 O SER A 27 -6.524 4.027 4.120 1.00 0.00 O ATOM 410 CB SER A 27 -7.246 7.117 4.085 1.00 0.00 C ATOM 411 OG SER A 27 -7.891 6.659 5.275 1.00 0.00 O ATOM 0 H SER A 27 -9.120 5.557 3.705 1.00 0.00 H new ATOM 0 HA SER A 27 -6.938 6.471 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.224 7.419 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.761 8.000 3.706 1.00 0.00 H new ATOM 0 HG SER A 27 -7.885 7.373 5.946 1.00 0.00 H new ATOM 417 N LEU A 28 -5.028 5.107 2.800 1.00 0.00 N ATOM 418 CA LEU A 28 -3.930 4.205 3.095 1.00 0.00 C ATOM 419 C LEU A 28 -3.652 4.262 4.602 1.00 0.00 C ATOM 420 O LEU A 28 -3.335 3.253 5.223 1.00 0.00 O ATOM 421 CB LEU A 28 -2.697 4.657 2.286 1.00 0.00 C ATOM 422 CG LEU A 28 -1.486 3.682 2.131 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.789 3.389 3.443 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.919 2.384 1.457 1.00 0.00 C ATOM 0 H LEU A 28 -4.796 5.844 2.134 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.172 3.178 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.039 4.916 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.323 5.574 2.742 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.761 4.191 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.043 2.706 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.412 4.318 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.495 2.931 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.060 1.720 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.686 1.899 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.321 2.604 0.468 1.00 0.00 H new ATOM 436 N ASN A 29 -3.838 5.457 5.183 1.00 0.00 N ATOM 437 CA ASN A 29 -3.596 5.659 6.635 1.00 0.00 C ATOM 438 C ASN A 29 -4.485 4.796 7.490 1.00 0.00 C ATOM 439 O ASN A 29 -4.090 4.378 8.566 1.00 0.00 O ATOM 440 CB ASN A 29 -3.710 7.128 7.094 1.00 0.00 C ATOM 441 CG ASN A 29 -2.585 8.010 6.601 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.478 7.543 6.356 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.849 9.291 6.479 1.00 0.00 N ATOM 0 H ASN A 29 -4.150 6.291 4.686 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.559 5.355 6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.659 7.536 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.732 7.158 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.120 9.935 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.783 9.642 6.692 1.00 0.00 H new ATOM 450 N ASP A 30 -5.677 4.513 7.011 1.00 0.00 N ATOM 451 CA ASP A 30 -6.606 3.682 7.764 1.00 0.00 C ATOM 452 C ASP A 30 -6.192 2.245 7.672 1.00 0.00 C ATOM 453 O ASP A 30 -6.164 1.541 8.664 1.00 0.00 O ATOM 454 CB ASP A 30 -8.025 3.840 7.244 1.00 0.00 C ATOM 455 CG ASP A 30 -9.033 3.036 8.039 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.583 3.561 9.033 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.294 1.882 7.689 1.00 0.00 O ATOM 0 H ASP A 30 -6.029 4.841 6.111 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.584 4.004 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.303 4.894 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.061 3.530 6.200 1.00 0.00 H new ATOM 462 N LEU A 31 -5.847 1.838 6.478 1.00 0.00 N ATOM 463 CA LEU A 31 -5.436 0.465 6.189 1.00 0.00 C ATOM 464 C LEU A 31 -4.184 0.126 6.960 1.00 0.00 C ATOM 465 O LEU A 31 -4.112 -0.927 7.599 1.00 0.00 O ATOM 466 CB LEU A 31 -5.201 0.335 4.685 1.00 0.00 C ATOM 467 CG LEU A 31 -4.995 -1.070 4.078 1.00 0.00 C ATOM 468 CD1 LEU A 31 -5.033 -0.953 2.594 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.656 -1.698 4.475 1.00 0.00 C ATOM 0 H LEU A 31 -5.839 2.449 5.661 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.215 -0.233 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.052 0.791 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.324 0.933 4.436 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.789 -1.712 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.889 -1.937 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.998 -0.552 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.239 -0.284 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.567 -2.684 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.840 -1.064 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.606 -1.794 5.560 1.00 0.00 H new ATOM 481 N LYS A 32 -3.196 1.001 6.909 1.00 0.00 N ATOM 482 CA LYS A 32 -1.974 0.746 7.639 1.00 0.00 C ATOM 483 C LYS A 32 -2.260 0.674 9.124 1.00 0.00 C ATOM 484 O LYS A 32 -1.729 -0.147 9.791 1.00 0.00 O ATOM 485 CB LYS A 32 -0.849 1.751 7.329 1.00 0.00 C ATOM 486 CG LYS A 32 -1.162 3.190 7.676 1.00 0.00 C ATOM 487 CD LYS A 32 0.018 4.116 7.403 1.00 0.00 C ATOM 488 CE LYS A 32 1.224 3.777 8.280 1.00 0.00 C ATOM 489 NZ LYS A 32 2.354 4.713 8.047 1.00 0.00 N ATOM 0 H LYS A 32 -3.215 1.874 6.382 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.599 -0.220 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.047 1.449 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.613 1.693 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.024 3.522 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.439 3.257 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.301 4.043 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.282 5.149 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.932 3.813 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.548 2.757 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.128 4.494 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.693 4.611 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.033 5.690 8.202 1.00 0.00 H new ATOM 503 N LYS A 33 -3.187 1.503 9.595 1.00 0.00 N ATOM 504 CA LYS A 33 -3.589 1.552 10.995 1.00 0.00 C ATOM 505 C LYS A 33 -4.300 0.230 11.395 1.00 0.00 C ATOM 506 O LYS A 33 -4.347 -0.145 12.572 1.00 0.00 O ATOM 507 CB LYS A 33 -4.558 2.715 11.170 1.00 0.00 C ATOM 508 CG LYS A 33 -4.696 3.234 12.578 1.00 0.00 C ATOM 509 CD LYS A 33 -3.421 3.932 13.028 1.00 0.00 C ATOM 510 CE LYS A 33 -3.071 5.144 12.144 1.00 0.00 C ATOM 511 NZ LYS A 33 -4.115 6.196 12.155 1.00 0.00 N ATOM 0 H LYS A 33 -3.687 2.169 9.005 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.711 1.682 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.235 3.535 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.541 2.403 10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.534 3.929 12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.921 2.409 13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.535 4.260 14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.595 3.221 13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.128 5.573 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.916 4.806 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.785 7.019 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.987 5.825 11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.307 6.484 13.136 1.00 0.00 H new ATOM 525 N LYS A 34 -4.840 -0.464 10.402 1.00 0.00 N ATOM 526 CA LYS A 34 -5.582 -1.663 10.580 1.00 0.00 C ATOM 527 C LYS A 34 -4.603 -2.789 10.663 1.00 0.00 C ATOM 528 O LYS A 34 -4.729 -3.714 11.466 1.00 0.00 O ATOM 529 CB LYS A 34 -6.470 -1.835 9.343 1.00 0.00 C ATOM 530 CG LYS A 34 -7.719 -0.967 9.253 1.00 0.00 C ATOM 531 CD LYS A 34 -8.686 -1.214 10.401 1.00 0.00 C ATOM 532 CE LYS A 34 -9.134 -2.661 10.457 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.095 -2.901 11.555 1.00 0.00 N ATOM 0 H LYS A 34 -4.760 -0.182 9.425 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.196 -1.640 11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.860 -1.641 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.780 -2.879 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.428 0.083 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.225 -1.162 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.209 -0.944 11.343 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.557 -0.568 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.593 -2.936 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.264 -3.305 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.376 -3.902 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.650 -2.664 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.937 -2.306 11.416 1.00 0.00 H new ATOM 547 N LEU A 35 -3.627 -2.679 9.846 1.00 0.00 N ATOM 548 CA LEU A 35 -2.570 -3.601 9.767 1.00 0.00 C ATOM 549 C LEU A 35 -1.599 -3.412 10.963 1.00 0.00 C ATOM 550 O LEU A 35 -1.036 -4.385 11.475 1.00 0.00 O ATOM 551 CB LEU A 35 -1.930 -3.450 8.397 1.00 0.00 C ATOM 552 CG LEU A 35 -0.678 -4.212 8.162 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.891 -5.709 8.402 1.00 0.00 C ATOM 554 CD2 LEU A 35 -0.140 -3.960 6.767 1.00 0.00 C ATOM 0 H LEU A 35 -3.542 -1.907 9.185 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.916 -4.631 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.659 -3.752 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.722 -2.393 8.233 1.00 0.00 H new ATOM 0 HG LEU A 35 0.065 -3.859 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.042 -6.243 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.209 -5.871 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.658 -6.081 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.777 -4.531 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.881 -4.270 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.070 -2.898 6.645 1.00 0.00 H new ATOM 566 N GLU A 36 -1.452 -2.167 11.420 1.00 0.00 N ATOM 567 CA GLU A 36 -0.734 -1.830 12.637 1.00 0.00 C ATOM 568 C GLU A 36 -1.296 -2.603 13.799 1.00 0.00 C ATOM 569 O GLU A 36 -0.568 -3.089 14.639 1.00 0.00 O ATOM 570 CB GLU A 36 -0.894 -0.346 12.929 1.00 0.00 C ATOM 571 CG GLU A 36 0.022 0.586 12.185 1.00 0.00 C ATOM 572 CD GLU A 36 -0.295 2.028 12.495 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.255 2.408 13.701 1.00 0.00 O ATOM 574 OE2 GLU A 36 -0.633 2.782 11.572 1.00 0.00 O ATOM 0 H GLU A 36 -1.838 -1.354 10.941 1.00 0.00 H new ATOM 0 HA GLU A 36 0.318 -2.079 12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.923 -0.063 12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.745 -0.190 13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.057 0.373 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.072 0.413 11.113 1.00 0.00 H new ATOM 581 N LEU A 37 -2.604 -2.727 13.813 1.00 0.00 N ATOM 582 CA LEU A 37 -3.311 -3.436 14.858 1.00 0.00 C ATOM 583 C LEU A 37 -2.917 -4.922 14.866 1.00 0.00 C ATOM 584 O LEU A 37 -2.779 -5.538 15.921 1.00 0.00 O ATOM 585 CB LEU A 37 -4.822 -3.293 14.634 1.00 0.00 C ATOM 586 CG LEU A 37 -5.732 -3.934 15.683 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.540 -3.282 17.043 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.179 -3.854 15.249 1.00 0.00 C ATOM 0 H LEU A 37 -3.213 -2.336 13.094 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.042 -3.007 15.823 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.060 -2.231 14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.065 -3.724 13.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.458 -4.985 15.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.199 -3.757 17.770 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.504 -3.401 17.360 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.779 -2.221 16.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.812 -4.315 16.007 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.464 -2.809 15.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.305 -4.380 14.303 1.00 0.00 H new ATOM 600 N VAL A 38 -2.706 -5.467 13.686 1.00 0.00 N ATOM 601 CA VAL A 38 -2.382 -6.873 13.540 1.00 0.00 C ATOM 602 C VAL A 38 -0.903 -7.138 13.842 1.00 0.00 C ATOM 603 O VAL A 38 -0.565 -8.103 14.522 1.00 0.00 O ATOM 604 CB VAL A 38 -2.723 -7.382 12.105 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.405 -8.868 11.947 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.184 -7.117 11.775 1.00 0.00 C ATOM 0 H VAL A 38 -2.753 -4.953 12.806 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.989 -7.419 14.262 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.098 -6.829 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.655 -9.188 10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.343 -9.034 12.128 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.990 -9.444 12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.402 -7.479 10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.819 -7.636 12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.380 -6.046 11.825 1.00 0.00 H new ATOM 616 N VAL A 39 -0.031 -6.269 13.365 1.00 0.00 N ATOM 617 CA VAL A 39 1.403 -6.488 13.542 1.00 0.00 C ATOM 618 C VAL A 39 1.922 -5.903 14.867 1.00 0.00 C ATOM 619 O VAL A 39 2.879 -6.413 15.454 1.00 0.00 O ATOM 620 CB VAL A 39 2.224 -5.932 12.338 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.694 -6.303 12.456 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.660 -6.446 11.020 1.00 0.00 C ATOM 0 H VAL A 39 -0.278 -5.418 12.860 1.00 0.00 H new ATOM 0 HA VAL A 39 1.546 -7.568 13.581 1.00 0.00 H new ATOM 0 HB VAL A 39 2.143 -4.845 12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.240 -5.902 11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.102 -5.886 13.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.795 -7.388 12.474 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.247 -6.047 10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.706 -7.535 11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.623 -6.125 10.918 1.00 0.00 H new ATOM 632 N GLY A 40 1.267 -4.880 15.356 1.00 0.00 N ATOM 633 CA GLY A 40 1.716 -4.234 16.573 1.00 0.00 C ATOM 634 C GLY A 40 2.608 -3.051 16.268 1.00 0.00 C ATOM 635 O GLY A 40 3.103 -2.372 17.178 1.00 0.00 O ATOM 0 H GLY A 40 0.429 -4.476 14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.854 -3.903 17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.257 -4.951 17.190 1.00 0.00 H new ATOM 639 N THR A 41 2.806 -2.805 14.986 1.00 0.00 N ATOM 640 CA THR A 41 3.637 -1.708 14.513 1.00 0.00 C ATOM 641 C THR A 41 2.917 -0.357 14.767 1.00 0.00 C ATOM 642 O THR A 41 1.739 -0.332 15.154 1.00 0.00 O ATOM 643 CB THR A 41 3.896 -1.902 13.002 1.00 0.00 C ATOM 644 OG1 THR A 41 4.277 -3.259 12.798 1.00 0.00 O ATOM 645 CG2 THR A 41 5.040 -1.026 12.492 1.00 0.00 C ATOM 0 H THR A 41 2.394 -3.362 14.238 1.00 0.00 H new ATOM 0 HA THR A 41 4.586 -1.698 15.048 1.00 0.00 H new ATOM 0 HB THR A 41 2.987 -1.630 12.465 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.446 -3.411 11.845 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.183 -1.199 11.425 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.798 0.023 12.661 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.956 -1.277 13.026 1.00 0.00 H new ATOM 653 N THR A 42 3.619 0.729 14.584 1.00 0.00 N ATOM 654 CA THR A 42 3.065 2.048 14.773 1.00 0.00 C ATOM 655 C THR A 42 3.268 2.853 13.462 1.00 0.00 C ATOM 656 O THR A 42 4.089 2.466 12.629 1.00 0.00 O ATOM 657 CB THR A 42 3.764 2.736 15.952 1.00 0.00 C ATOM 658 OG1 THR A 42 3.925 1.760 16.990 1.00 0.00 O ATOM 659 CG2 THR A 42 2.892 3.846 16.518 1.00 0.00 C ATOM 0 H THR A 42 4.598 0.726 14.298 1.00 0.00 H new ATOM 0 HA THR A 42 2.001 1.989 15.000 1.00 0.00 H new ATOM 0 HB THR A 42 4.714 3.150 15.613 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.372 2.171 17.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.405 4.322 17.354 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.697 4.587 15.743 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.948 3.426 16.864 1.00 0.00 H new ATOM 667 N VAL A 43 2.574 3.973 13.329 1.00 0.00 N ATOM 668 CA VAL A 43 2.464 4.728 12.051 1.00 0.00 C ATOM 669 C VAL A 43 3.804 5.205 11.481 1.00 0.00 C ATOM 670 O VAL A 43 4.102 4.965 10.304 1.00 0.00 O ATOM 671 CB VAL A 43 1.574 5.990 12.230 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.302 6.684 10.902 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.292 5.674 12.955 1.00 0.00 C ATOM 0 H VAL A 43 2.061 4.402 14.099 1.00 0.00 H new ATOM 0 HA VAL A 43 2.028 4.014 11.353 1.00 0.00 H new ATOM 0 HB VAL A 43 2.136 6.686 12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.677 7.561 11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.246 6.993 10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.788 5.996 10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.301 6.583 13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.274 4.935 12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.522 5.275 13.943 1.00 0.00 H new ATOM 683 N ASP A 44 4.608 5.830 12.308 1.00 0.00 N ATOM 684 CA ASP A 44 5.863 6.451 11.849 1.00 0.00 C ATOM 685 C ASP A 44 6.905 5.401 11.560 1.00 0.00 C ATOM 686 O ASP A 44 7.800 5.588 10.738 1.00 0.00 O ATOM 687 CB ASP A 44 6.384 7.421 12.912 1.00 0.00 C ATOM 688 CG ASP A 44 7.598 8.214 12.472 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.419 9.314 11.900 1.00 0.00 O ATOM 690 OD2 ASP A 44 8.737 7.767 12.713 1.00 0.00 O ATOM 0 H ASP A 44 4.430 5.931 13.307 1.00 0.00 H new ATOM 0 HA ASP A 44 5.659 6.998 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.587 8.114 13.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.635 6.859 13.812 1.00 0.00 H new ATOM 695 N SER A 45 6.754 4.288 12.208 1.00 0.00 N ATOM 696 CA SER A 45 7.660 3.220 12.120 1.00 0.00 C ATOM 697 C SER A 45 7.258 2.237 11.028 1.00 0.00 C ATOM 698 O SER A 45 7.920 1.232 10.819 1.00 0.00 O ATOM 699 CB SER A 45 7.615 2.524 13.437 1.00 0.00 C ATOM 700 OG SER A 45 7.862 3.430 14.501 1.00 0.00 O ATOM 0 H SER A 45 5.966 4.107 12.829 1.00 0.00 H new ATOM 0 HA SER A 45 8.655 3.592 11.877 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.640 2.057 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.356 1.725 13.456 1.00 0.00 H new ATOM 0 HG SER A 45 7.825 2.950 15.355 1.00 0.00 H new ATOM 706 N MET A 46 6.194 2.526 10.350 1.00 0.00 N ATOM 707 CA MET A 46 5.664 1.600 9.378 1.00 0.00 C ATOM 708 C MET A 46 5.802 2.111 7.942 1.00 0.00 C ATOM 709 O MET A 46 5.158 3.095 7.555 1.00 0.00 O ATOM 710 CB MET A 46 4.204 1.359 9.696 1.00 0.00 C ATOM 711 CG MET A 46 3.540 0.281 8.888 1.00 0.00 C ATOM 712 SD MET A 46 1.812 0.142 9.319 1.00 0.00 S ATOM 713 CE MET A 46 1.342 -1.289 8.393 1.00 0.00 C ATOM 0 H MET A 46 5.668 3.395 10.445 1.00 0.00 H new ATOM 0 HA MET A 46 6.238 0.676 9.440 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.117 1.104 10.752 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.658 2.291 9.546 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.638 0.504 7.825 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.041 -0.671 9.062 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.287 -1.221 8.129 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.940 -1.347 7.484 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.509 -2.183 8.994 1.00 0.00 H new ATOM 723 N ARG A 47 6.638 1.443 7.171 1.00 0.00 N ATOM 724 CA ARG A 47 6.783 1.717 5.748 1.00 0.00 C ATOM 725 C ARG A 47 5.951 0.781 4.929 1.00 0.00 C ATOM 726 O ARG A 47 5.786 -0.384 5.285 1.00 0.00 O ATOM 727 CB ARG A 47 8.202 1.682 5.249 1.00 0.00 C ATOM 728 CG ARG A 47 9.064 2.793 5.731 1.00 0.00 C ATOM 729 CD ARG A 47 10.372 2.791 4.980 1.00 0.00 C ATOM 730 NE ARG A 47 11.202 1.586 5.205 1.00 0.00 N ATOM 731 CZ ARG A 47 11.935 0.972 4.246 1.00 0.00 C ATOM 732 NH1 ARG A 47 11.805 1.326 2.972 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.758 -0.021 4.568 1.00 0.00 N ATOM 0 H ARG A 47 7.239 0.692 7.511 1.00 0.00 H new ATOM 0 HA ARG A 47 6.431 2.742 5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.653 0.736 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.189 1.699 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.555 3.747 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.248 2.685 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.165 2.882 3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.945 3.672 5.270 1.00 0.00 H new ATOM 0 HE ARG A 47 11.223 1.192 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.150 2.064 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.360 0.860 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.838 -0.322 5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.309 -0.482 3.844 1.00 0.00 H new ATOM 747 N ILE A 48 5.419 1.294 3.856 1.00 0.00 N ATOM 748 CA ILE A 48 4.522 0.528 2.994 1.00 0.00 C ATOM 749 C ILE A 48 5.102 0.431 1.577 1.00 0.00 C ATOM 750 O ILE A 48 5.302 1.436 0.926 1.00 0.00 O ATOM 751 CB ILE A 48 3.120 1.210 2.915 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.502 1.385 4.316 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.176 0.420 2.009 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.244 0.091 5.058 1.00 0.00 C ATOM 0 H ILE A 48 5.585 2.250 3.543 1.00 0.00 H new ATOM 0 HA ILE A 48 4.418 -0.470 3.421 1.00 0.00 H new ATOM 0 HB ILE A 48 3.262 2.200 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.166 2.006 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.561 1.926 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.207 0.917 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.595 0.367 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.052 -0.588 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.809 0.311 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.553 -0.526 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.184 -0.445 5.193 1.00 0.00 H new ATOM 766 N GLN A 49 5.357 -0.767 1.114 1.00 0.00 N ATOM 767 CA GLN A 49 5.888 -0.988 -0.219 1.00 0.00 C ATOM 768 C GLN A 49 4.879 -1.697 -1.102 1.00 0.00 C ATOM 769 O GLN A 49 4.120 -2.544 -0.632 1.00 0.00 O ATOM 770 CB GLN A 49 7.208 -1.785 -0.213 1.00 0.00 C ATOM 771 CG GLN A 49 8.414 -1.072 0.391 1.00 0.00 C ATOM 772 CD GLN A 49 8.326 -0.847 1.882 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.715 -1.622 2.610 1.00 0.00 O ATOM 774 NE2 GLN A 49 8.923 0.209 2.344 1.00 0.00 N ATOM 0 H GLN A 49 5.204 -1.623 1.648 1.00 0.00 H new ATOM 0 HA GLN A 49 6.096 0.002 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.047 -2.713 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.449 -2.059 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.310 -1.655 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.535 -0.108 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.422 0.832 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.893 0.416 3.342 1.00 0.00 H new ATOM 783 N LEU A 50 4.875 -1.356 -2.370 1.00 0.00 N ATOM 784 CA LEU A 50 3.967 -1.981 -3.338 1.00 0.00 C ATOM 785 C LEU A 50 4.748 -2.893 -4.257 1.00 0.00 C ATOM 786 O LEU A 50 5.637 -2.440 -5.008 1.00 0.00 O ATOM 787 CB LEU A 50 3.227 -0.879 -4.167 1.00 0.00 C ATOM 788 CG LEU A 50 2.083 -1.252 -5.201 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.524 0.019 -5.771 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.580 -2.105 -6.357 1.00 0.00 C ATOM 0 H LEU A 50 5.490 -0.646 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 50 3.224 -2.572 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.793 -0.181 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.990 -0.333 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 50 1.334 -1.830 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.735 -0.218 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.114 0.629 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.317 0.571 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.751 -2.326 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.354 -1.564 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.992 -3.037 -5.970 1.00 0.00 H new ATOM 802 N PHE A 51 4.444 -4.154 -4.179 1.00 0.00 N ATOM 803 CA PHE A 51 4.938 -5.123 -5.110 1.00 0.00 C ATOM 804 C PHE A 51 3.796 -5.421 -6.035 1.00 0.00 C ATOM 805 O PHE A 51 2.700 -5.755 -5.594 1.00 0.00 O ATOM 806 CB PHE A 51 5.468 -6.373 -4.407 1.00 0.00 C ATOM 807 CG PHE A 51 6.696 -6.107 -3.580 1.00 0.00 C ATOM 808 CD1 PHE A 51 7.955 -6.207 -4.146 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.595 -5.751 -2.247 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.087 -5.959 -3.397 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.726 -5.502 -1.493 1.00 0.00 C ATOM 812 CZ PHE A 51 8.973 -5.607 -2.069 1.00 0.00 C ATOM 0 H PHE A 51 3.838 -4.544 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 51 5.794 -4.741 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.687 -6.781 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.697 -7.133 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.053 -6.482 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.620 -5.667 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.063 -6.041 -3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.632 -5.225 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.859 -5.414 -1.482 1.00 0.00 H new ATOM 822 N ASP A 52 4.028 -5.269 -7.285 1.00 0.00 N ATOM 823 CA ASP A 52 2.956 -5.267 -8.262 1.00 0.00 C ATOM 824 C ASP A 52 2.655 -6.686 -8.726 1.00 0.00 C ATOM 825 O ASP A 52 2.986 -7.676 -8.048 1.00 0.00 O ATOM 826 CB ASP A 52 3.445 -4.410 -9.443 1.00 0.00 C ATOM 827 CG ASP A 52 2.388 -3.896 -10.385 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.008 -4.603 -11.310 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.975 -2.727 -10.229 1.00 0.00 O ATOM 0 H ASP A 52 4.959 -5.141 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 52 2.037 -4.865 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.989 -3.555 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.158 -4.999 -10.020 1.00 0.00 H new ATOM 834 N GLY A 53 2.018 -6.770 -9.852 1.00 0.00 N ATOM 835 CA GLY A 53 1.789 -8.021 -10.501 1.00 0.00 C ATOM 836 C GLY A 53 3.083 -8.398 -11.143 1.00 0.00 C ATOM 837 O GLY A 53 3.417 -9.572 -11.329 1.00 0.00 O ATOM 0 H GLY A 53 1.639 -5.965 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.474 -8.780 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.996 -7.935 -11.244 1.00 0.00 H new ATOM 841 N ASP A 54 3.819 -7.355 -11.473 1.00 0.00 N ATOM 842 CA ASP A 54 5.158 -7.453 -11.932 1.00 0.00 C ATOM 843 C ASP A 54 6.019 -7.666 -10.690 1.00 0.00 C ATOM 844 O ASP A 54 5.709 -7.127 -9.620 1.00 0.00 O ATOM 845 CB ASP A 54 5.552 -6.166 -12.647 1.00 0.00 C ATOM 846 CG ASP A 54 6.901 -6.250 -13.300 1.00 0.00 C ATOM 847 OD1 ASP A 54 7.903 -5.935 -12.654 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.968 -6.607 -14.495 1.00 0.00 O ATOM 0 H ASP A 54 3.476 -6.396 -11.422 1.00 0.00 H new ATOM 0 HA ASP A 54 5.286 -8.272 -12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.802 -5.932 -13.403 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.551 -5.344 -11.931 1.00 0.00 H new ATOM 853 N ASP A 55 7.054 -8.444 -10.820 1.00 0.00 N ATOM 854 CA ASP A 55 7.882 -8.867 -9.691 1.00 0.00 C ATOM 855 C ASP A 55 8.496 -7.722 -8.878 1.00 0.00 C ATOM 856 O ASP A 55 8.577 -7.807 -7.640 1.00 0.00 O ATOM 857 CB ASP A 55 8.977 -9.801 -10.167 1.00 0.00 C ATOM 858 CG ASP A 55 9.822 -10.336 -9.035 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.372 -11.270 -8.330 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.953 -9.841 -8.834 1.00 0.00 O ATOM 0 H ASP A 55 7.364 -8.816 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 55 7.201 -9.381 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.528 -10.636 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.617 -9.273 -10.874 1.00 0.00 H new ATOM 865 N GLN A 56 8.905 -6.666 -9.552 1.00 0.00 N ATOM 866 CA GLN A 56 9.618 -5.593 -8.889 1.00 0.00 C ATOM 867 C GLN A 56 8.730 -4.687 -8.031 1.00 0.00 C ATOM 868 O GLN A 56 7.501 -4.608 -8.206 1.00 0.00 O ATOM 869 CB GLN A 56 10.428 -4.743 -9.875 1.00 0.00 C ATOM 870 CG GLN A 56 9.602 -3.975 -10.895 1.00 0.00 C ATOM 871 CD GLN A 56 10.454 -3.086 -11.784 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.614 -3.384 -12.062 1.00 0.00 O ATOM 873 NE2 GLN A 56 9.897 -1.986 -12.223 1.00 0.00 N ATOM 0 H GLN A 56 8.757 -6.528 -10.552 1.00 0.00 H new ATOM 0 HA GLN A 56 10.301 -6.103 -8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.030 -4.032 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.121 -5.394 -10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.049 -4.681 -11.515 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.865 -3.363 -10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.932 -1.768 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.428 -1.346 -12.814 1.00 0.00 H new ATOM 882 N LEU A 57 9.389 -4.002 -7.119 1.00 0.00 N ATOM 883 CA LEU A 57 8.779 -3.035 -6.235 1.00 0.00 C ATOM 884 C LEU A 57 8.542 -1.757 -7.013 1.00 0.00 C ATOM 885 O LEU A 57 9.460 -1.208 -7.626 1.00 0.00 O ATOM 886 CB LEU A 57 9.720 -2.833 -5.003 1.00 0.00 C ATOM 887 CG LEU A 57 9.308 -1.847 -3.877 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.143 -2.125 -2.645 1.00 0.00 C ATOM 889 CD2 LEU A 57 9.569 -0.412 -4.287 1.00 0.00 C ATOM 0 H LEU A 57 10.393 -4.107 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 57 7.813 -3.373 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.869 -3.810 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.689 -2.508 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 57 8.245 -1.985 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.859 -1.436 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.974 -3.150 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.198 -1.990 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.271 0.257 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.631 -0.280 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.993 -0.179 -5.182 1.00 0.00 H new ATOM 901 N LYS A 58 7.321 -1.287 -6.986 1.00 0.00 N ATOM 902 CA LYS A 58 6.954 -0.102 -7.733 1.00 0.00 C ATOM 903 C LYS A 58 7.305 1.142 -6.991 1.00 0.00 C ATOM 904 O LYS A 58 7.809 2.102 -7.576 1.00 0.00 O ATOM 905 CB LYS A 58 5.472 -0.100 -8.072 1.00 0.00 C ATOM 906 CG LYS A 58 5.057 -1.151 -9.079 1.00 0.00 C ATOM 907 CD LYS A 58 5.814 -0.967 -10.380 1.00 0.00 C ATOM 908 CE LYS A 58 5.328 -1.899 -11.468 1.00 0.00 C ATOM 909 NZ LYS A 58 3.919 -1.638 -11.853 1.00 0.00 N ATOM 0 H LYS A 58 6.558 -1.706 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 58 7.525 -0.123 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.902 -0.249 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.202 0.883 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.250 -2.145 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.985 -1.084 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.709 0.065 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.876 -1.139 -10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.966 -1.792 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.423 -2.930 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.666 -2.232 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.293 -1.863 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.809 -0.636 -12.107 1.00 0.00 H new ATOM 923 N GLY A 59 7.062 1.136 -5.733 1.00 0.00 N ATOM 924 CA GLY A 59 7.363 2.286 -4.949 1.00 0.00 C ATOM 925 C GLY A 59 6.947 2.111 -3.541 1.00 0.00 C ATOM 926 O GLY A 59 6.448 1.030 -3.164 1.00 0.00 O ATOM 0 H GLY A 59 6.657 0.353 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.434 2.485 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.861 3.156 -5.372 1.00 0.00 H new ATOM 930 N GLU A 60 7.136 3.133 -2.764 1.00 0.00 N ATOM 931 CA GLU A 60 6.798 3.108 -1.401 1.00 0.00 C ATOM 932 C GLU A 60 5.621 4.043 -1.190 1.00 0.00 C ATOM 933 O GLU A 60 5.629 5.192 -1.642 1.00 0.00 O ATOM 934 CB GLU A 60 8.018 3.517 -0.582 1.00 0.00 C ATOM 935 CG GLU A 60 7.894 3.381 0.918 1.00 0.00 C ATOM 936 CD GLU A 60 9.199 3.705 1.599 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.091 2.829 1.643 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.367 4.833 2.077 1.00 0.00 O ATOM 0 H GLU A 60 7.537 4.016 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 60 6.505 2.110 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.867 2.918 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.252 4.556 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.113 4.048 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.590 2.365 1.171 1.00 0.00 H new ATOM 945 N LEU A 61 4.608 3.520 -0.586 1.00 0.00 N ATOM 946 CA LEU A 61 3.383 4.228 -0.281 1.00 0.00 C ATOM 947 C LEU A 61 3.505 4.840 1.104 1.00 0.00 C ATOM 948 O LEU A 61 4.592 5.227 1.481 1.00 0.00 O ATOM 949 CB LEU A 61 2.181 3.242 -0.350 1.00 0.00 C ATOM 950 CG LEU A 61 1.760 2.727 -1.745 1.00 0.00 C ATOM 951 CD1 LEU A 61 2.873 1.998 -2.458 1.00 0.00 C ATOM 952 CD2 LEU A 61 0.538 1.835 -1.626 1.00 0.00 C ATOM 0 H LEU A 61 4.597 2.549 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 61 3.213 5.023 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.419 2.378 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.318 3.731 0.102 1.00 0.00 H new ATOM 0 HG LEU A 61 1.517 3.602 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.520 1.659 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.720 2.670 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.183 1.138 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.250 1.478 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.770 0.984 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.285 2.402 -1.191 1.00 0.00 H new ATOM 964 N THR A 62 2.379 4.878 1.840 1.00 0.00 N ATOM 965 CA THR A 62 2.216 5.432 3.206 1.00 0.00 C ATOM 966 C THR A 62 1.493 6.801 3.201 1.00 0.00 C ATOM 967 O THR A 62 1.252 7.400 4.258 1.00 0.00 O ATOM 968 CB THR A 62 3.524 5.426 4.119 1.00 0.00 C ATOM 969 OG1 THR A 62 3.141 5.371 5.499 1.00 0.00 O ATOM 970 CG2 THR A 62 4.372 6.702 3.930 1.00 0.00 C ATOM 0 H THR A 62 1.503 4.501 1.479 1.00 0.00 H new ATOM 0 HA THR A 62 1.562 4.716 3.703 1.00 0.00 H new ATOM 0 HB THR A 62 4.114 4.558 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.386 5.976 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.252 6.653 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.686 6.779 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.778 7.576 4.196 1.00 0.00 H new ATOM 978 N ASP A 63 1.104 7.268 2.014 1.00 0.00 N ATOM 979 CA ASP A 63 0.299 8.486 1.922 1.00 0.00 C ATOM 980 C ASP A 63 -1.145 8.120 2.062 1.00 0.00 C ATOM 981 O ASP A 63 -1.717 7.473 1.193 1.00 0.00 O ATOM 982 CB ASP A 63 0.457 9.221 0.601 1.00 0.00 C ATOM 983 CG ASP A 63 1.862 9.665 0.306 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.302 10.681 0.878 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.545 9.017 -0.506 1.00 0.00 O ATOM 0 H ASP A 63 1.328 6.832 1.120 1.00 0.00 H new ATOM 0 HA ASP A 63 0.645 9.147 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.116 8.572 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.195 10.095 0.604 1.00 0.00 H new ATOM 990 N GLY A 64 -1.728 8.527 3.133 1.00 0.00 N ATOM 991 CA GLY A 64 -3.103 8.214 3.386 1.00 0.00 C ATOM 992 C GLY A 64 -4.001 9.393 3.186 1.00 0.00 C ATOM 993 O GLY A 64 -5.180 9.335 3.495 1.00 0.00 O ATOM 0 H GLY A 64 -1.276 9.083 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.416 7.406 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.208 7.850 4.408 1.00 0.00 H new ATOM 997 N ALA A 65 -3.443 10.473 2.683 1.00 0.00 N ATOM 998 CA ALA A 65 -4.227 11.656 2.346 1.00 0.00 C ATOM 999 C ALA A 65 -4.973 11.416 1.041 1.00 0.00 C ATOM 1000 O ALA A 65 -5.782 12.231 0.601 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.326 12.874 2.227 1.00 0.00 C ATOM 0 H ALA A 65 -2.444 10.563 2.495 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.949 11.845 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.927 13.748 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.817 13.045 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.586 12.704 1.444 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.681 10.293 0.434 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.290 9.872 -0.786 1.00 0.00 C ATOM 1009 C LYS A 66 -5.633 8.384 -0.690 1.00 0.00 C ATOM 1010 O LYS A 66 -5.133 7.691 0.217 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.347 10.205 -1.948 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.923 9.695 -1.762 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.975 10.265 -2.812 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.370 9.869 -4.216 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.470 10.438 -5.233 1.00 0.00 N ATOM 0 H LYS A 66 -3.991 9.632 0.792 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.226 10.399 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.756 9.782 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.319 11.287 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.568 9.964 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.916 8.607 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.961 11.352 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.962 9.918 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.367 8.782 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.390 10.200 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.782 10.138 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.492 11.476 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.500 10.102 -5.065 1.00 0.00 H new ATOM 1029 N SER A 67 -6.474 7.897 -1.585 1.00 0.00 N ATOM 1030 CA SER A 67 -6.932 6.544 -1.532 1.00 0.00 C ATOM 1031 C SER A 67 -5.926 5.660 -2.223 1.00 0.00 C ATOM 1032 O SER A 67 -5.050 6.158 -2.931 1.00 0.00 O ATOM 1033 CB SER A 67 -8.239 6.454 -2.294 1.00 0.00 C ATOM 1034 OG SER A 67 -9.126 7.491 -1.928 1.00 0.00 O ATOM 0 H SER A 67 -6.851 8.438 -2.363 1.00 0.00 H new ATOM 0 HA SER A 67 -7.062 6.232 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.041 6.505 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.707 5.489 -2.102 1.00 0.00 H new ATOM 0 HG SER A 67 -9.802 7.141 -1.312 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.066 4.362 -2.058 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.208 3.408 -2.732 1.00 0.00 C ATOM 1042 C LEU A 68 -5.386 3.521 -4.226 1.00 0.00 C ATOM 1043 O LEU A 68 -4.448 3.342 -4.997 1.00 0.00 O ATOM 1044 CB LEU A 68 -5.497 1.974 -2.295 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.285 1.625 -0.815 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.379 2.184 0.094 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -5.114 0.144 -0.634 1.00 0.00 C ATOM 0 H LEU A 68 -6.773 3.939 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.179 3.644 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.533 1.748 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.871 1.309 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.362 2.115 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.172 1.903 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.401 3.271 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.345 1.777 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.965 -0.079 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.005 -0.372 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.247 -0.194 -1.202 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.580 3.863 -4.626 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.878 4.005 -6.028 1.00 0.00 C ATOM 1061 C LYS A 69 -6.231 5.267 -6.556 1.00 0.00 C ATOM 1062 O LYS A 69 -5.634 5.276 -7.619 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.372 4.057 -6.248 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.774 4.190 -7.705 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.266 4.246 -7.849 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.858 5.458 -7.154 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.324 5.465 -7.237 1.00 0.00 N ATOM 0 H LYS A 69 -7.365 4.049 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.481 3.143 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.822 3.152 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.783 4.898 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.330 5.092 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.382 3.346 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.528 4.271 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.705 3.339 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.552 5.464 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.463 6.367 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.671 6.443 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.622 5.053 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.719 4.904 -6.455 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.328 6.324 -5.771 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.756 7.620 -6.137 1.00 0.00 C ATOM 1083 C ASP A 70 -4.219 7.528 -6.143 1.00 0.00 C ATOM 1084 O ASP A 70 -3.534 8.279 -6.832 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.213 8.667 -5.144 1.00 0.00 C ATOM 1086 CG ASP A 70 -6.007 10.086 -5.639 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -4.946 10.654 -5.420 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -6.935 10.648 -6.248 1.00 0.00 O ATOM 0 H ASP A 70 -6.800 6.316 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.094 7.901 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.270 8.515 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.671 8.533 -4.208 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.703 6.584 -5.358 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.255 6.261 -5.313 1.00 0.00 C ATOM 1095 C LEU A 71 -1.819 5.495 -6.570 1.00 0.00 C ATOM 1096 O LEU A 71 -0.619 5.353 -6.837 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.910 5.395 -4.064 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.890 6.064 -2.674 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.725 5.010 -1.595 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.718 7.017 -2.593 1.00 0.00 C ATOM 0 H LEU A 71 -4.268 6.013 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.722 7.210 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.626 4.574 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.928 4.953 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.827 6.601 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.712 5.490 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.556 4.307 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.788 4.475 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.702 7.491 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.210 6.466 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.817 7.782 -3.364 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.785 5.007 -7.326 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.488 4.263 -8.537 1.00 0.00 C ATOM 1114 C GLY A 72 -2.156 2.820 -8.236 1.00 0.00 C ATOM 1115 O GLY A 72 -1.300 2.212 -8.894 1.00 0.00 O ATOM 0 H GLY A 72 -3.779 5.112 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.344 4.307 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.650 4.729 -9.055 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.810 2.280 -7.239 1.00 0.00 N ATOM 1120 CA VAL A 73 -2.592 0.918 -6.805 1.00 0.00 C ATOM 1121 C VAL A 73 -3.848 0.101 -7.140 1.00 0.00 C ATOM 1122 O VAL A 73 -4.941 0.414 -6.659 1.00 0.00 O ATOM 1123 CB VAL A 73 -2.374 0.885 -5.272 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -1.918 -0.477 -4.824 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.392 1.955 -4.833 1.00 0.00 C ATOM 0 H VAL A 73 -3.517 2.777 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.715 0.507 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.331 1.096 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.772 -0.475 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.673 -1.218 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.978 -0.726 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.260 1.906 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.432 1.792 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.777 2.937 -5.108 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.708 -0.904 -7.983 1.00 0.00 N ATOM 1136 CA ARG A 74 -4.846 -1.729 -8.390 1.00 0.00 C ATOM 1137 C ARG A 74 -4.893 -2.988 -7.547 1.00 0.00 C ATOM 1138 O ARG A 74 -3.959 -3.276 -6.797 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.732 -2.130 -9.862 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.611 -0.969 -10.836 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.414 -1.472 -12.256 1.00 0.00 C ATOM 1142 NE ARG A 74 -4.275 -0.374 -13.219 1.00 0.00 N ATOM 1143 CZ ARG A 74 -3.666 -0.463 -14.408 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -3.136 -1.609 -14.806 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -3.607 0.597 -15.204 1.00 0.00 N ATOM 0 H ARG A 74 -2.819 -1.175 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.755 -1.144 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.862 -2.777 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.608 -2.721 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.508 -0.352 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.771 -0.335 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.526 -2.103 -12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.261 -2.096 -12.539 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.674 0.529 -12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.190 -2.432 -14.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.674 -1.669 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.026 1.479 -14.910 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.143 0.529 -16.110 1.00 0.00 H new ATOM 1159 N ASP A 75 -5.950 -3.747 -7.699 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.128 -4.993 -6.956 1.00 0.00 C ATOM 1161 C ASP A 75 -5.194 -6.064 -7.443 1.00 0.00 C ATOM 1162 O ASP A 75 -4.709 -6.013 -8.568 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.572 -5.493 -7.019 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.059 -5.737 -8.427 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.538 -4.788 -9.071 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.967 -6.868 -8.910 1.00 0.00 O ATOM 0 H ASP A 75 -6.715 -3.529 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.889 -4.770 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.654 -6.418 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.223 -4.763 -6.538 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.925 -7.016 -6.588 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.046 -8.114 -6.949 1.00 0.00 C ATOM 1173 C GLY A 76 -2.582 -7.813 -6.666 1.00 0.00 C ATOM 1174 O GLY A 76 -1.718 -8.671 -6.850 1.00 0.00 O ATOM 0 H GLY A 76 -5.297 -7.060 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.342 -9.007 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.168 -8.338 -8.009 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.302 -6.602 -6.223 1.00 0.00 N ATOM 1179 CA TYR A 77 -0.944 -6.205 -5.907 1.00 0.00 C ATOM 1180 C TYR A 77 -0.642 -6.519 -4.465 1.00 0.00 C ATOM 1181 O TYR A 77 -1.556 -6.654 -3.640 1.00 0.00 O ATOM 1182 CB TYR A 77 -0.658 -4.728 -6.253 1.00 0.00 C ATOM 1183 CG TYR A 77 -0.880 -4.372 -7.724 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -0.893 -5.354 -8.718 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -1.077 -3.060 -8.111 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.101 -5.033 -10.041 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -1.283 -2.730 -9.435 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.295 -3.720 -10.395 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.509 -3.389 -11.713 1.00 0.00 O ATOM 0 H TYR A 77 -3.000 -5.874 -6.074 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.270 -6.785 -6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.295 -4.093 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.374 -4.498 -5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.737 -6.387 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.070 -2.280 -7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.112 -5.807 -10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.434 -1.699 -9.719 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.955 -4.133 -12.169 1.00 0.00 H new ATOM 1199 N ARG A 78 0.608 -6.646 -4.157 1.00 0.00 N ATOM 1200 CA ARG A 78 1.019 -7.078 -2.859 1.00 0.00 C ATOM 1201 C ARG A 78 1.527 -5.890 -2.078 1.00 0.00 C ATOM 1202 O ARG A 78 2.459 -5.199 -2.504 1.00 0.00 O ATOM 1203 CB ARG A 78 2.135 -8.117 -2.996 1.00 0.00 C ATOM 1204 CG ARG A 78 1.792 -9.257 -3.939 1.00 0.00 C ATOM 1205 CD ARG A 78 2.925 -10.251 -4.066 1.00 0.00 C ATOM 1206 NE ARG A 78 2.613 -11.289 -5.053 1.00 0.00 N ATOM 1207 CZ ARG A 78 3.288 -12.430 -5.216 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.268 -12.754 -4.381 1.00 0.00 N ATOM 1209 NH2 ARG A 78 2.956 -13.258 -6.201 1.00 0.00 N ATOM 0 H ARG A 78 1.376 -6.453 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 78 0.173 -7.525 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.039 -7.622 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.362 -8.527 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.900 -9.769 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.552 -8.853 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.837 -9.731 -4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.117 -10.713 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 78 1.814 -11.126 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.509 -12.130 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.780 -13.627 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.188 -13.021 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.469 -14.130 -6.329 1.00 0.00 H new ATOM 1223 N ILE A 79 0.925 -5.655 -0.956 1.00 0.00 N ATOM 1224 CA ILE A 79 1.290 -4.560 -0.117 1.00 0.00 C ATOM 1225 C ILE A 79 2.139 -5.066 1.023 1.00 0.00 C ATOM 1226 O ILE A 79 1.736 -5.941 1.802 1.00 0.00 O ATOM 1227 CB ILE A 79 0.051 -3.771 0.398 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.716 -3.137 -0.786 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.448 -2.705 1.419 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.108 -2.173 -1.629 1.00 0.00 C ATOM 0 H ILE A 79 0.159 -6.223 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 79 1.871 -3.852 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.608 -4.478 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.089 -3.934 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.586 -2.607 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.443 -2.175 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.932 -3.181 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.138 -1.999 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.509 -1.776 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.460 -1.352 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.964 -2.699 -2.052 1.00 0.00 H new ATOM 1242 N HIS A 80 3.307 -4.546 1.086 1.00 0.00 N ATOM 1243 CA HIS A 80 4.287 -4.936 2.035 1.00 0.00 C ATOM 1244 C HIS A 80 4.471 -3.860 3.080 1.00 0.00 C ATOM 1245 O HIS A 80 4.607 -2.706 2.757 1.00 0.00 O ATOM 1246 CB HIS A 80 5.599 -5.199 1.286 1.00 0.00 C ATOM 1247 CG HIS A 80 6.760 -5.505 2.156 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.972 -6.729 2.715 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.767 -4.716 2.578 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.052 -6.689 3.454 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.560 -5.477 3.389 1.00 0.00 N ATOM 0 H HIS A 80 3.622 -3.809 0.455 1.00 0.00 H new ATOM 0 HA HIS A 80 3.969 -5.841 2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.448 -6.031 0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.837 -4.325 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.919 -3.678 2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.458 -7.513 4.022 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.404 -5.159 3.865 1.00 0.00 H new ATOM 1260 N ALA A 81 4.452 -4.248 4.310 1.00 0.00 N ATOM 1261 CA ALA A 81 4.713 -3.348 5.389 1.00 0.00 C ATOM 1262 C ALA A 81 6.024 -3.733 6.024 1.00 0.00 C ATOM 1263 O ALA A 81 6.385 -4.916 6.046 1.00 0.00 O ATOM 1264 CB ALA A 81 3.593 -3.405 6.409 1.00 0.00 C ATOM 0 H ALA A 81 4.254 -5.205 4.601 1.00 0.00 H new ATOM 0 HA ALA A 81 4.770 -2.326 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.808 -2.714 7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.653 -3.125 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.512 -4.418 6.804 1.00 0.00 H new ATOM 1270 N VAL A 82 6.755 -2.774 6.486 1.00 0.00 N ATOM 1271 CA VAL A 82 7.984 -3.045 7.142 1.00 0.00 C ATOM 1272 C VAL A 82 8.224 -2.056 8.277 1.00 0.00 C ATOM 1273 O VAL A 82 7.928 -0.851 8.152 1.00 0.00 O ATOM 1274 CB VAL A 82 9.170 -3.050 6.144 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.382 -1.697 5.492 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.430 -3.547 6.799 1.00 0.00 C ATOM 0 H VAL A 82 6.516 -1.785 6.418 1.00 0.00 H new ATOM 0 HA VAL A 82 7.916 -4.044 7.574 1.00 0.00 H new ATOM 0 HB VAL A 82 8.909 -3.745 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.224 -1.754 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.483 -1.412 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.591 -0.952 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.244 -3.539 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.684 -2.899 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.276 -4.564 7.160 1.00 0.00 H new ATOM 1286 N ASP A 83 8.717 -2.573 9.373 1.00 0.00 N ATOM 1287 CA ASP A 83 9.025 -1.780 10.544 1.00 0.00 C ATOM 1288 C ASP A 83 10.382 -1.094 10.367 1.00 0.00 C ATOM 1289 O ASP A 83 11.369 -1.720 9.945 1.00 0.00 O ATOM 1290 CB ASP A 83 9.023 -2.659 11.797 1.00 0.00 C ATOM 1291 CG ASP A 83 9.253 -1.878 13.067 1.00 0.00 C ATOM 1292 OD1 ASP A 83 10.431 -1.654 13.434 1.00 0.00 O ATOM 1293 OD2 ASP A 83 8.263 -1.493 13.725 1.00 0.00 O ATOM 0 H ASP A 83 8.919 -3.567 9.483 1.00 0.00 H new ATOM 0 HA ASP A 83 8.260 -1.013 10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.069 -3.181 11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.797 -3.421 11.701 1.00 0.00 H new ATOM 1298 N VAL A 84 10.421 0.183 10.645 1.00 0.00 N ATOM 1299 CA VAL A 84 11.631 0.978 10.499 1.00 0.00 C ATOM 1300 C VAL A 84 12.507 0.892 11.747 1.00 0.00 C ATOM 1301 O VAL A 84 13.730 0.813 11.650 1.00 0.00 O ATOM 1302 CB VAL A 84 11.294 2.466 10.206 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.552 3.292 9.987 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.377 2.581 9.004 1.00 0.00 C ATOM 0 H VAL A 84 9.616 0.711 10.981 1.00 0.00 H new ATOM 0 HA VAL A 84 12.182 0.566 9.653 1.00 0.00 H new ATOM 0 HB VAL A 84 10.780 2.862 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.277 4.327 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.175 3.250 10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.107 2.892 9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.153 3.631 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.867 2.152 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.450 2.042 9.201 1.00 0.00 H new ATOM 1314 N THR A 85 11.872 0.840 12.903 1.00 0.00 N ATOM 1315 CA THR A 85 12.577 0.858 14.177 1.00 0.00 C ATOM 1316 C THR A 85 13.460 -0.380 14.413 1.00 0.00 C ATOM 1317 O THR A 85 14.459 -0.317 15.149 1.00 0.00 O ATOM 1318 CB THR A 85 11.605 1.094 15.350 1.00 0.00 C ATOM 1319 OG1 THR A 85 10.453 0.237 15.235 1.00 0.00 O ATOM 1320 CG2 THR A 85 11.156 2.544 15.394 1.00 0.00 C ATOM 0 H THR A 85 10.857 0.784 12.989 1.00 0.00 H new ATOM 0 HA THR A 85 13.265 1.702 14.127 1.00 0.00 H new ATOM 0 HB THR A 85 12.134 0.859 16.274 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.711 -0.600 14.796 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.471 2.688 16.229 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.024 3.190 15.522 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.650 2.797 14.462 1.00 0.00 H new ATOM 1328 N GLY A 86 13.101 -1.485 13.793 1.00 0.00 N ATOM 1329 CA GLY A 86 13.892 -2.686 13.899 1.00 0.00 C ATOM 1330 C GLY A 86 14.981 -2.749 12.851 1.00 0.00 C ATOM 1331 O GLY A 86 15.812 -3.673 12.864 1.00 0.00 O ATOM 0 H GLY A 86 12.267 -1.573 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.342 -2.736 14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.243 -3.556 13.799 1.00 0.00 H new ATOM 1335 N GLY A 87 14.994 -1.760 11.955 1.00 0.00 N ATOM 1336 CA GLY A 87 15.963 -1.730 10.882 1.00 0.00 C ATOM 1337 C GLY A 87 15.805 -2.921 9.976 1.00 0.00 C ATOM 1338 O GLY A 87 16.777 -3.613 9.658 1.00 0.00 O ATOM 0 H GLY A 87 14.342 -0.976 11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.844 -0.812 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.970 -1.717 11.298 1.00 0.00 H new ATOM 1342 N ASN A 88 14.582 -3.183 9.593 1.00 0.00 N ATOM 1343 CA ASN A 88 14.275 -4.320 8.760 1.00 0.00 C ATOM 1344 C ASN A 88 14.285 -3.932 7.304 1.00 0.00 C ATOM 1345 O ASN A 88 13.619 -2.964 6.916 1.00 0.00 O ATOM 1346 CB ASN A 88 12.905 -4.915 9.126 1.00 0.00 C ATOM 1347 CG ASN A 88 12.840 -5.444 10.546 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.498 -4.718 11.477 1.00 0.00 O ATOM 1349 ND2 ASN A 88 13.145 -6.704 10.724 1.00 0.00 N ATOM 0 H ASN A 88 13.772 -2.617 9.848 1.00 0.00 H new ATOM 0 HA ASN A 88 15.043 -5.074 8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.138 -4.151 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.671 -5.724 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 88 13.103 -7.112 11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.425 -7.278 9.929 1.00 0.00 H new ATOM 1356 N GLU A 89 15.067 -4.681 6.515 1.00 0.00 N ATOM 1357 CA GLU A 89 15.189 -4.538 5.047 1.00 0.00 C ATOM 1358 C GLU A 89 15.257 -3.085 4.551 1.00 0.00 C ATOM 1359 O GLU A 89 14.453 -2.647 3.703 1.00 0.00 O ATOM 1360 CB GLU A 89 14.140 -5.384 4.276 1.00 0.00 C ATOM 1361 CG GLU A 89 12.699 -5.111 4.673 1.00 0.00 C ATOM 1362 CD GLU A 89 11.696 -5.888 3.880 1.00 0.00 C ATOM 1363 OE1 GLU A 89 11.413 -7.049 4.230 1.00 0.00 O ATOM 1364 OE2 GLU A 89 11.152 -5.336 2.892 1.00 0.00 O ATOM 0 H GLU A 89 15.653 -5.428 6.887 1.00 0.00 H new ATOM 0 HA GLU A 89 16.168 -4.955 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.252 -5.195 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.354 -6.441 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.573 -5.345 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.495 -4.047 4.556 1.00 0.00 H new ATOM 1371 N ASP A 90 16.173 -2.337 5.103 1.00 0.00 N ATOM 1372 CA ASP A 90 16.398 -1.009 4.715 1.00 0.00 C ATOM 1373 C ASP A 90 17.738 -0.928 3.993 1.00 0.00 C ATOM 1374 O ASP A 90 18.793 -1.139 4.626 1.00 0.00 O ATOM 1375 CB ASP A 90 16.326 -0.062 5.922 1.00 0.00 C ATOM 1376 CG ASP A 90 17.436 -0.221 6.940 1.00 0.00 C ATOM 1377 OD1 ASP A 90 17.522 -1.267 7.603 1.00 0.00 O ATOM 1378 OD2 ASP A 90 18.228 0.738 7.108 1.00 0.00 O ATOM 0 H ASP A 90 16.787 -2.660 5.850 1.00 0.00 H new ATOM 0 HA ASP A 90 15.615 -0.685 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.335 0.965 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.371 -0.213 6.425 1.00 0.00 H new TER 1383 ASP A 90