USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.102 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= -1.44! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -47:sc= 1.24 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.709 F(o=-1.3,f=-0.71) USER MOD Single : A 25 SER OG : rot -135:sc= -0.758! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00802) USER MOD Single : A 47 SER OG : rot 180:sc= -0.542 USER MOD Single : A 48 GLN : amide:sc= -3.5! C(o=-3.5!,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= 0 (180deg=-1.02) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= -0.139 (180deg=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= -1.11! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.8! C(o=-1.8!,f=-5.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -4.85! C(o=-4.9!,f=-15!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 84 SER OG : rot -100:sc= -4.66! USER MOD Single : A 86 TYR OH : rot 180:sc= -1.28! USER MOD Single : A 87 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 88 THR OG1 : rot 8:sc= -0.844! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 87.777 32.483 0.861 1.00 0.00 N ATOM 2 CA SER A 1 86.793 33.505 1.325 1.00 0.00 C ATOM 3 C SER A 1 86.833 33.622 2.850 1.00 0.00 C ATOM 4 O SER A 1 87.518 32.877 3.523 1.00 0.00 O ATOM 5 CB SER A 1 85.434 32.984 0.863 1.00 0.00 C ATOM 6 OG SER A 1 85.132 31.780 1.557 1.00 0.00 O ATOM 0 H1 SER A 1 88.499 32.940 0.268 1.00 0.00 H new ATOM 0 H2 SER A 1 88.234 32.042 1.685 1.00 0.00 H new ATOM 0 H3 SER A 1 87.285 31.754 0.307 1.00 0.00 H new ATOM 0 HA SER A 1 87.007 34.496 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 1 84.662 33.730 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 1 85.447 32.804 -0.212 1.00 0.00 H new ATOM 0 HG SER A 1 84.259 31.444 1.264 1.00 0.00 H new ATOM 14 N HIS A 2 86.104 34.553 3.402 1.00 0.00 N ATOM 15 CA HIS A 2 86.100 34.717 4.884 1.00 0.00 C ATOM 16 C HIS A 2 85.642 33.422 5.559 1.00 0.00 C ATOM 17 O HIS A 2 85.662 32.361 4.966 1.00 0.00 O ATOM 18 CB HIS A 2 85.104 35.845 5.155 1.00 0.00 C ATOM 19 CG HIS A 2 83.840 35.594 4.379 1.00 0.00 C ATOM 20 ND1 HIS A 2 83.036 34.490 4.614 1.00 0.00 N ATOM 21 CD2 HIS A 2 83.230 36.294 3.369 1.00 0.00 C ATOM 22 CE1 HIS A 2 81.996 34.558 3.762 1.00 0.00 C ATOM 23 NE2 HIS A 2 82.065 35.638 2.981 1.00 0.00 N ATOM 0 H HIS A 2 85.511 35.207 2.891 1.00 0.00 H new ATOM 0 HA HIS A 2 87.091 34.945 5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 2 84.884 35.902 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 2 85.536 36.803 4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 2 83.598 37.214 2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 2 81.202 33.827 3.716 1.00 0.00 H new ATOM 0 HE2 HIS A 2 81.406 35.922 2.256 1.00 0.00 H new ATOM 31 N MET A 3 85.229 33.499 6.794 1.00 0.00 N ATOM 32 CA MET A 3 84.770 32.272 7.506 1.00 0.00 C ATOM 33 C MET A 3 83.671 31.572 6.702 1.00 0.00 C ATOM 34 O MET A 3 82.536 32.003 6.678 1.00 0.00 O ATOM 35 CB MET A 3 84.222 32.771 8.843 1.00 0.00 C ATOM 36 CG MET A 3 85.158 32.339 9.972 1.00 0.00 C ATOM 37 SD MET A 3 84.725 30.665 10.507 1.00 0.00 S ATOM 38 CE MET A 3 84.578 31.023 12.275 1.00 0.00 C ATOM 0 H MET A 3 85.189 34.359 7.342 1.00 0.00 H new ATOM 0 HA MET A 3 85.574 31.548 7.640 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.131 33.857 8.828 1.00 0.00 H new ATOM 0 HB3 MET A 3 83.223 32.369 9.011 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.193 32.367 9.632 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.079 33.032 10.810 1.00 0.00 H new ATOM 0 HE1 MET A 3 84.311 30.111 12.810 1.00 0.00 H new ATOM 0 HE2 MET A 3 85.530 31.399 12.651 1.00 0.00 H new ATOM 0 HE3 MET A 3 83.804 31.775 12.431 1.00 0.00 H new ATOM 48 N LEU A 4 84.002 30.497 6.041 1.00 0.00 N ATOM 49 CA LEU A 4 82.977 29.769 5.238 1.00 0.00 C ATOM 50 C LEU A 4 83.602 28.534 4.582 1.00 0.00 C ATOM 51 O LEU A 4 83.738 28.462 3.378 1.00 0.00 O ATOM 52 CB LEU A 4 82.523 30.769 4.174 1.00 0.00 C ATOM 53 CG LEU A 4 81.100 30.430 3.728 1.00 0.00 C ATOM 54 CD1 LEU A 4 80.100 30.980 4.748 1.00 0.00 C ATOM 55 CD2 LEU A 4 80.831 31.063 2.361 1.00 0.00 C ATOM 0 H LEU A 4 84.937 30.091 6.022 1.00 0.00 H new ATOM 0 HA LEU A 4 82.145 29.419 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 4 82.558 31.782 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.200 30.740 3.320 1.00 0.00 H new ATOM 0 HG LEU A 4 80.990 29.348 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 4 79.086 30.738 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 4 80.291 30.532 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 4 80.210 32.062 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 4 79.817 30.822 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 4 80.941 32.145 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.543 30.673 1.633 1.00 0.00 H new ATOM 67 N GLU A 5 83.983 27.563 5.367 1.00 0.00 N ATOM 68 CA GLU A 5 84.601 26.336 4.787 1.00 0.00 C ATOM 69 C GLU A 5 83.592 25.184 4.785 1.00 0.00 C ATOM 70 O GLU A 5 82.631 25.184 5.528 1.00 0.00 O ATOM 71 CB GLU A 5 85.780 26.015 5.704 1.00 0.00 C ATOM 72 CG GLU A 5 87.081 26.482 5.048 1.00 0.00 C ATOM 73 CD GLU A 5 87.686 25.333 4.239 1.00 0.00 C ATOM 74 OE1 GLU A 5 86.931 24.632 3.587 1.00 0.00 O ATOM 75 OE2 GLU A 5 88.895 25.176 4.285 1.00 0.00 O ATOM 0 H GLU A 5 83.893 27.566 6.383 1.00 0.00 H new ATOM 0 HA GLU A 5 84.916 26.482 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 5 85.649 26.508 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 5 85.822 24.943 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 5 86.887 27.336 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 5 87.786 26.815 5.810 1.00 0.00 H new ATOM 82 N ASP A 6 83.805 24.202 3.952 1.00 0.00 N ATOM 83 CA ASP A 6 82.863 23.049 3.899 1.00 0.00 C ATOM 84 C ASP A 6 82.668 22.457 5.299 1.00 0.00 C ATOM 85 O ASP A 6 83.127 23.013 6.276 1.00 0.00 O ATOM 86 CB ASP A 6 83.539 22.035 2.974 1.00 0.00 C ATOM 87 CG ASP A 6 82.598 21.693 1.816 1.00 0.00 C ATOM 88 OD1 ASP A 6 81.735 22.504 1.520 1.00 0.00 O ATOM 89 OD2 ASP A 6 82.757 20.627 1.244 1.00 0.00 O ATOM 0 H ASP A 6 84.592 24.149 3.305 1.00 0.00 H new ATOM 0 HA ASP A 6 81.875 23.336 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 6 84.473 22.444 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 6 83.792 21.132 3.530 1.00 0.00 H new ATOM 94 N PRO A 7 81.979 21.346 5.348 1.00 0.00 N ATOM 95 CA PRO A 7 81.705 20.668 6.638 1.00 0.00 C ATOM 96 C PRO A 7 82.898 19.809 7.073 1.00 0.00 C ATOM 97 O PRO A 7 82.731 18.760 7.662 1.00 0.00 O ATOM 98 CB PRO A 7 80.513 19.782 6.323 1.00 0.00 C ATOM 99 CG PRO A 7 80.586 19.521 4.848 1.00 0.00 C ATOM 100 CD PRO A 7 81.385 20.634 4.215 1.00 0.00 C ATOM 0 HA PRO A 7 81.523 21.371 7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 7 80.556 18.851 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 7 79.577 20.274 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 7 81.056 18.557 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 7 79.585 19.479 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 7 82.151 20.242 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 7 80.750 21.291 3.622 1.00 0.00 H new ATOM 108 N CYS A 8 84.092 20.243 6.784 1.00 0.00 N ATOM 109 CA CYS A 8 85.306 19.459 7.171 1.00 0.00 C ATOM 110 C CYS A 8 85.438 18.222 6.281 1.00 0.00 C ATOM 111 O CYS A 8 86.253 17.354 6.524 1.00 0.00 O ATOM 112 CB CYS A 8 85.100 19.049 8.634 1.00 0.00 C ATOM 113 SG CYS A 8 84.400 20.431 9.573 1.00 0.00 S ATOM 0 H CYS A 8 84.285 21.115 6.292 1.00 0.00 H new ATOM 0 HA CYS A 8 86.217 20.044 7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 8 84.434 18.188 8.688 1.00 0.00 H new ATOM 0 HB3 CYS A 8 86.051 18.745 9.072 1.00 0.00 H new ATOM 0 HG CYS A 8 84.228 20.072 10.810 1.00 0.00 H new ATOM 119 N THR A 9 84.642 18.138 5.248 1.00 0.00 N ATOM 120 CA THR A 9 84.715 16.961 4.330 1.00 0.00 C ATOM 121 C THR A 9 84.159 15.707 5.012 1.00 0.00 C ATOM 122 O THR A 9 84.137 14.637 4.436 1.00 0.00 O ATOM 123 CB THR A 9 86.203 16.783 4.019 1.00 0.00 C ATOM 124 OG1 THR A 9 86.823 18.059 3.940 1.00 0.00 O ATOM 125 CG2 THR A 9 86.366 16.050 2.687 1.00 0.00 C ATOM 0 H THR A 9 83.941 18.836 4.999 1.00 0.00 H new ATOM 0 HA THR A 9 84.124 17.116 3.427 1.00 0.00 H new ATOM 0 HB THR A 9 86.672 16.198 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 9 87.776 17.948 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 9 87.426 15.925 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 9 85.890 15.071 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 9 85.898 16.631 1.892 1.00 0.00 H new ATOM 133 N SER A 10 83.707 15.827 6.230 1.00 0.00 N ATOM 134 CA SER A 10 83.154 14.634 6.935 1.00 0.00 C ATOM 135 C SER A 10 81.659 14.503 6.653 1.00 0.00 C ATOM 136 O SER A 10 80.929 13.870 7.389 1.00 0.00 O ATOM 137 CB SER A 10 83.407 14.892 8.420 1.00 0.00 C ATOM 138 OG SER A 10 83.615 13.652 9.082 1.00 0.00 O ATOM 0 H SER A 10 83.696 16.695 6.766 1.00 0.00 H new ATOM 0 HA SER A 10 83.620 13.706 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.278 15.536 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 10 82.558 15.415 8.860 1.00 0.00 H new ATOM 0 HG SER A 10 83.779 13.813 10.035 1.00 0.00 H new ATOM 144 N LYS A 11 81.206 15.085 5.582 1.00 0.00 N ATOM 145 CA LYS A 11 79.762 14.984 5.232 1.00 0.00 C ATOM 146 C LYS A 11 79.585 13.942 4.131 1.00 0.00 C ATOM 147 O LYS A 11 78.874 12.969 4.289 1.00 0.00 O ATOM 148 CB LYS A 11 79.371 16.375 4.731 1.00 0.00 C ATOM 149 CG LYS A 11 77.921 16.352 4.242 1.00 0.00 C ATOM 150 CD LYS A 11 76.979 16.561 5.430 1.00 0.00 C ATOM 151 CE LYS A 11 75.965 17.655 5.090 1.00 0.00 C ATOM 152 NZ LYS A 11 76.600 18.922 5.545 1.00 0.00 N ATOM 0 H LYS A 11 81.773 15.628 4.931 1.00 0.00 H new ATOM 0 HA LYS A 11 79.142 14.679 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.485 17.107 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 11 80.034 16.682 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 77.764 17.133 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 11 77.705 15.401 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 11 76.462 15.631 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 77.550 16.841 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.755 17.680 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 75.015 17.485 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 75.964 19.720 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 76.782 18.871 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 77.499 19.061 5.040 1.00 0.00 H new ATOM 166 N LYS A 12 80.244 14.126 3.022 1.00 0.00 N ATOM 167 CA LYS A 12 80.133 13.133 1.922 1.00 0.00 C ATOM 168 C LYS A 12 81.141 12.007 2.151 1.00 0.00 C ATOM 169 O LYS A 12 81.347 11.157 1.308 1.00 0.00 O ATOM 170 CB LYS A 12 80.461 13.910 0.645 1.00 0.00 C ATOM 171 CG LYS A 12 79.603 15.175 0.585 1.00 0.00 C ATOM 172 CD LYS A 12 79.975 15.988 -0.656 1.00 0.00 C ATOM 173 CE LYS A 12 79.803 17.480 -0.361 1.00 0.00 C ATOM 174 NZ LYS A 12 78.607 17.892 -1.148 1.00 0.00 N ATOM 0 H LYS A 12 80.854 14.921 2.831 1.00 0.00 H new ATOM 0 HA LYS A 12 79.145 12.676 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 12 81.519 14.174 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 12 80.273 13.288 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 12 78.546 14.909 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 12 79.756 15.773 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 12 81.005 15.780 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.344 15.698 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 79.655 17.657 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 12 80.686 18.046 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 78.424 18.905 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 78.780 17.718 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 77.781 17.342 -0.838 1.00 0.00 H new ATOM 188 N VAL A 13 81.763 11.996 3.298 1.00 0.00 N ATOM 189 CA VAL A 13 82.754 10.928 3.607 1.00 0.00 C ATOM 190 C VAL A 13 82.081 9.831 4.434 1.00 0.00 C ATOM 191 O VAL A 13 82.469 8.680 4.392 1.00 0.00 O ATOM 192 CB VAL A 13 83.851 11.632 4.412 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.641 10.604 5.226 1.00 0.00 C ATOM 194 CG2 VAL A 13 84.800 12.354 3.453 1.00 0.00 C ATOM 0 H VAL A 13 81.626 12.685 4.038 1.00 0.00 H new ATOM 0 HA VAL A 13 83.159 10.450 2.715 1.00 0.00 H new ATOM 0 HB VAL A 13 83.392 12.352 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.419 11.112 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.968 10.087 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.099 9.880 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 13 85.582 12.856 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 13 85.253 11.630 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 13 84.242 13.091 2.876 1.00 0.00 H new ATOM 204 N ARG A 14 81.070 10.180 5.182 1.00 0.00 N ATOM 205 CA ARG A 14 80.367 9.157 6.007 1.00 0.00 C ATOM 206 C ARG A 14 79.363 8.393 5.143 1.00 0.00 C ATOM 207 O ARG A 14 79.141 7.213 5.326 1.00 0.00 O ATOM 208 CB ARG A 14 79.645 9.952 7.097 1.00 0.00 C ATOM 209 CG ARG A 14 79.958 9.343 8.465 1.00 0.00 C ATOM 210 CD ARG A 14 78.650 9.019 9.191 1.00 0.00 C ATOM 211 NE ARG A 14 78.587 9.987 10.321 1.00 0.00 N ATOM 212 CZ ARG A 14 77.526 10.035 11.080 1.00 0.00 C ATOM 213 NH1 ARG A 14 76.353 9.760 10.580 1.00 0.00 N ATOM 214 NH2 ARG A 14 77.640 10.358 12.340 1.00 0.00 N ATOM 0 H ARG A 14 80.701 11.128 5.257 1.00 0.00 H new ATOM 0 HA ARG A 14 81.051 8.421 6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 14 79.961 10.995 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 14 78.570 9.940 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.553 8.438 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 14 80.552 10.039 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 14 77.792 9.130 8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 14 78.643 7.990 9.551 1.00 0.00 H new ATOM 0 HE ARG A 14 79.372 10.612 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 14 76.265 9.507 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 14 75.524 9.798 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 14 78.558 10.573 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 14 76.812 10.396 12.934 1.00 0.00 H new ATOM 228 N ALA A 15 78.757 9.058 4.197 1.00 0.00 N ATOM 229 CA ALA A 15 77.773 8.373 3.318 1.00 0.00 C ATOM 230 C ALA A 15 78.503 7.517 2.281 1.00 0.00 C ATOM 231 O ALA A 15 77.967 6.558 1.761 1.00 0.00 O ATOM 232 CB ALA A 15 77.001 9.502 2.635 1.00 0.00 C ATOM 0 H ALA A 15 78.903 10.047 3.996 1.00 0.00 H new ATOM 0 HA ALA A 15 77.113 7.707 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.252 9.078 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.508 10.114 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.692 10.120 2.061 1.00 0.00 H new ATOM 238 N ALA A 16 79.725 7.859 1.976 1.00 0.00 N ATOM 239 CA ALA A 16 80.494 7.072 0.970 1.00 0.00 C ATOM 240 C ALA A 16 80.520 5.591 1.356 1.00 0.00 C ATOM 241 O ALA A 16 80.446 4.718 0.515 1.00 0.00 O ATOM 242 CB ALA A 16 81.904 7.659 1.004 1.00 0.00 C ATOM 0 H ALA A 16 80.225 8.651 2.381 1.00 0.00 H new ATOM 0 HA ALA A 16 80.050 7.130 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.535 7.132 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.864 8.716 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.320 7.548 2.005 1.00 0.00 H new ATOM 248 N ARG A 17 80.628 5.302 2.621 1.00 0.00 N ATOM 249 CA ARG A 17 80.663 3.876 3.058 1.00 0.00 C ATOM 250 C ARG A 17 79.241 3.323 3.188 1.00 0.00 C ATOM 251 O ARG A 17 79.022 2.279 3.770 1.00 0.00 O ATOM 252 CB ARG A 17 81.357 3.897 4.419 1.00 0.00 C ATOM 253 CG ARG A 17 80.607 4.841 5.359 1.00 0.00 C ATOM 254 CD ARG A 17 81.547 5.955 5.823 1.00 0.00 C ATOM 255 NE ARG A 17 81.448 5.947 7.309 1.00 0.00 N ATOM 256 CZ ARG A 17 82.532 5.944 8.036 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.596 6.579 7.624 1.00 0.00 N ATOM 258 NH2 ARG A 17 82.552 5.305 9.173 1.00 0.00 N ATOM 0 H ARG A 17 80.694 5.989 3.372 1.00 0.00 H new ATOM 0 HA ARG A 17 81.184 3.239 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.384 2.892 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.391 4.224 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 17 79.744 5.268 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 17 80.228 4.289 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.570 5.771 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.249 6.920 5.413 1.00 0.00 H new ATOM 0 HE ARG A 17 80.533 5.944 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.580 7.077 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 17 84.443 6.577 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 17 81.721 4.808 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.399 5.302 9.742 1.00 0.00 H new ATOM 272 N THR A 18 78.270 4.013 2.652 1.00 0.00 N ATOM 273 CA THR A 18 76.866 3.522 2.752 1.00 0.00 C ATOM 274 C THR A 18 76.299 3.235 1.359 1.00 0.00 C ATOM 275 O THR A 18 76.361 4.061 0.469 1.00 0.00 O ATOM 276 CB THR A 18 76.096 4.663 3.419 1.00 0.00 C ATOM 277 OG1 THR A 18 76.554 4.823 4.754 1.00 0.00 O ATOM 278 CG2 THR A 18 74.602 4.337 3.425 1.00 0.00 C ATOM 0 H THR A 18 78.388 4.893 2.150 1.00 0.00 H new ATOM 0 HA THR A 18 76.795 2.593 3.318 1.00 0.00 H new ATOM 0 HB THR A 18 76.261 5.587 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 18 76.599 3.947 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 18 74.054 5.150 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 18 74.252 4.214 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 18 74.433 3.414 3.979 1.00 0.00 H new ATOM 286 N LEU A 19 75.741 2.071 1.165 1.00 0.00 N ATOM 287 CA LEU A 19 75.163 1.731 -0.165 1.00 0.00 C ATOM 288 C LEU A 19 73.701 1.315 -0.011 1.00 0.00 C ATOM 289 O LEU A 19 73.381 0.391 0.709 1.00 0.00 O ATOM 290 CB LEU A 19 75.999 0.560 -0.683 1.00 0.00 C ATOM 291 CG LEU A 19 76.358 0.796 -2.151 1.00 0.00 C ATOM 292 CD1 LEU A 19 77.058 -0.444 -2.708 1.00 0.00 C ATOM 293 CD2 LEU A 19 75.081 1.061 -2.949 1.00 0.00 C ATOM 0 H LEU A 19 75.661 1.340 1.872 1.00 0.00 H new ATOM 0 HA LEU A 19 75.186 2.578 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 19 76.907 0.457 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.442 -0.371 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 19 77.023 1.656 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.315 -0.278 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.967 -0.636 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.392 -1.304 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 75.334 1.230 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 19 74.418 0.200 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 74.579 1.943 -2.551 1.00 0.00 H new ATOM 305 N LEU A 20 72.809 1.992 -0.678 1.00 0.00 N ATOM 306 CA LEU A 20 71.369 1.631 -0.563 1.00 0.00 C ATOM 307 C LEU A 20 71.027 0.494 -1.525 1.00 0.00 C ATOM 308 O LEU A 20 70.963 0.681 -2.723 1.00 0.00 O ATOM 309 CB LEU A 20 70.604 2.894 -0.951 1.00 0.00 C ATOM 310 CG LEU A 20 69.141 2.746 -0.533 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.475 1.655 -1.374 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.072 2.361 0.947 1.00 0.00 C ATOM 0 H LEU A 20 73.014 2.777 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 20 71.116 1.291 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.046 3.764 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.672 3.059 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 20 68.622 3.691 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.432 1.551 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.525 1.927 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.993 0.709 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.030 2.255 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.592 1.416 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.545 3.138 1.547 1.00 0.00 H new ATOM 324 N ALA A 21 70.796 -0.681 -1.012 1.00 0.00 N ATOM 325 CA ALA A 21 70.447 -1.819 -1.907 1.00 0.00 C ATOM 326 C ALA A 21 68.947 -1.785 -2.211 1.00 0.00 C ATOM 327 O ALA A 21 68.125 -1.805 -1.315 1.00 0.00 O ATOM 328 CB ALA A 21 70.812 -3.076 -1.117 1.00 0.00 C ATOM 0 H ALA A 21 70.833 -0.903 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 21 70.973 -1.782 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.583 -3.960 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.876 -3.062 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.237 -3.104 -0.191 1.00 0.00 H new ATOM 334 N LYS A 22 68.578 -1.721 -3.461 1.00 0.00 N ATOM 335 CA LYS A 22 67.128 -1.672 -3.802 1.00 0.00 C ATOM 336 C LYS A 22 66.786 -2.708 -4.874 1.00 0.00 C ATOM 337 O LYS A 22 67.611 -3.506 -5.271 1.00 0.00 O ATOM 338 CB LYS A 22 66.897 -0.256 -4.331 1.00 0.00 C ATOM 339 CG LYS A 22 65.458 0.170 -4.037 1.00 0.00 C ATOM 340 CD LYS A 22 64.705 0.361 -5.355 1.00 0.00 C ATOM 341 CE LYS A 22 64.824 1.818 -5.805 1.00 0.00 C ATOM 342 NZ LYS A 22 64.114 1.875 -7.114 1.00 0.00 N ATOM 0 H LYS A 22 69.215 -1.701 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 22 66.499 -1.899 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.596 0.437 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.086 -0.222 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.961 -0.585 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.451 1.097 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.114 -0.301 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.656 0.093 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.370 2.494 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.868 2.115 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.152 2.845 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.572 1.227 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.121 1.593 -6.983 1.00 0.00 H new ATOM 356 N ASN A 23 65.566 -2.699 -5.342 1.00 0.00 N ATOM 357 CA ASN A 23 65.152 -3.681 -6.387 1.00 0.00 C ATOM 358 C ASN A 23 65.317 -5.109 -5.866 1.00 0.00 C ATOM 359 O ASN A 23 65.268 -6.064 -6.617 1.00 0.00 O ATOM 360 CB ASN A 23 66.087 -3.430 -7.570 1.00 0.00 C ATOM 361 CG ASN A 23 65.645 -4.283 -8.762 1.00 0.00 C ATOM 362 OD1 ASN A 23 66.528 -5.010 -9.391 1.00 0.00 O flip ATOM 363 ND2 ASN A 23 64.485 -4.288 -9.122 1.00 0.00 N flip ATOM 0 H ASN A 23 64.836 -2.052 -5.045 1.00 0.00 H new ATOM 0 HA ASN A 23 64.105 -3.564 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.073 -2.374 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.113 -3.675 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 23 63.796 -3.720 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 23 64.200 -4.861 -9.917 1.00 0.00 H new ATOM 370 N LEU A 24 65.506 -5.264 -4.585 1.00 0.00 N ATOM 371 CA LEU A 24 65.669 -6.633 -4.017 1.00 0.00 C ATOM 372 C LEU A 24 64.369 -7.420 -4.176 1.00 0.00 C ATOM 373 O LEU A 24 63.528 -7.091 -4.988 1.00 0.00 O ATOM 374 CB LEU A 24 65.987 -6.414 -2.538 1.00 0.00 C ATOM 375 CG LEU A 24 67.396 -5.839 -2.397 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.404 -4.765 -1.309 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.365 -6.960 -2.013 1.00 0.00 C ATOM 0 H LEU A 24 65.555 -4.503 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 24 66.452 -7.202 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.259 -5.733 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.912 -7.357 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 24 67.705 -5.397 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.409 -4.356 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.713 -3.967 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.096 -5.205 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.371 -6.553 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.055 -7.400 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.360 -7.726 -2.788 1.00 0.00 H new ATOM 389 N SER A 25 64.196 -8.459 -3.408 1.00 0.00 N ATOM 390 CA SER A 25 62.946 -9.262 -3.519 1.00 0.00 C ATOM 391 C SER A 25 62.506 -9.745 -2.136 1.00 0.00 C ATOM 392 O SER A 25 63.262 -9.711 -1.185 1.00 0.00 O ATOM 393 CB SER A 25 63.316 -10.446 -4.411 1.00 0.00 C ATOM 394 OG SER A 25 62.790 -10.233 -5.714 1.00 0.00 O ATOM 0 H SER A 25 64.864 -8.787 -2.710 1.00 0.00 H new ATOM 0 HA SER A 25 62.118 -8.686 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.399 -10.557 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 25 62.918 -11.370 -3.992 1.00 0.00 H new ATOM 0 HG SER A 25 62.369 -11.057 -6.035 1.00 0.00 H new ATOM 400 N PHE A 26 61.288 -10.194 -2.016 1.00 0.00 N ATOM 401 CA PHE A 26 60.795 -10.679 -0.702 1.00 0.00 C ATOM 402 C PHE A 26 61.541 -11.955 -0.299 1.00 0.00 C ATOM 403 O PHE A 26 61.394 -12.452 0.800 1.00 0.00 O ATOM 404 CB PHE A 26 59.317 -10.972 -0.939 1.00 0.00 C ATOM 405 CG PHE A 26 58.485 -9.794 -0.493 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.542 -8.589 -1.204 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.652 -9.906 0.627 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.768 -7.497 -0.796 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.879 -8.814 1.037 1.00 0.00 C ATOM 410 CZ PHE A 26 56.936 -7.610 0.325 1.00 0.00 C ATOM 0 H PHE A 26 60.611 -10.245 -2.777 1.00 0.00 H new ATOM 0 HA PHE A 26 60.950 -9.958 0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.142 -11.174 -1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.021 -11.866 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.184 -8.502 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.606 -10.836 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.812 -6.568 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.239 -8.900 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.338 -6.768 0.640 1.00 0.00 H new ATOM 420 N ASN A 27 62.335 -12.490 -1.184 1.00 0.00 N ATOM 421 CA ASN A 27 63.085 -13.731 -0.863 1.00 0.00 C ATOM 422 C ASN A 27 64.488 -13.394 -0.352 1.00 0.00 C ATOM 423 O ASN A 27 64.986 -14.008 0.571 1.00 0.00 O ATOM 424 CB ASN A 27 63.168 -14.496 -2.184 1.00 0.00 C ATOM 425 CG ASN A 27 63.475 -15.968 -1.906 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.633 -16.694 -1.415 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.654 -16.443 -2.199 1.00 0.00 N ATOM 0 H ASN A 27 62.496 -12.117 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 27 62.597 -14.313 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.227 -14.407 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.944 -14.066 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.869 -17.423 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 27 65.361 -15.834 -2.611 1.00 0.00 H new ATOM 434 N ILE A 28 65.134 -12.426 -0.948 1.00 0.00 N ATOM 435 CA ILE A 28 66.507 -12.065 -0.493 1.00 0.00 C ATOM 436 C ILE A 28 66.458 -11.421 0.895 1.00 0.00 C ATOM 437 O ILE A 28 65.414 -11.018 1.367 1.00 0.00 O ATOM 438 CB ILE A 28 67.035 -11.075 -1.536 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.560 -10.994 -1.434 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.438 -9.688 -1.293 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.187 -11.386 -2.773 1.00 0.00 C ATOM 0 H ILE A 28 64.772 -11.873 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 28 67.152 -12.940 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 28 66.748 -11.419 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.863 -9.983 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.917 -11.657 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.820 -8.992 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.352 -9.741 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.716 -9.341 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.273 -11.327 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.895 -12.405 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.840 -10.705 -3.550 1.00 0.00 H new ATOM 453 N THR A 29 67.581 -11.327 1.552 1.00 0.00 N ATOM 454 CA THR A 29 67.601 -10.714 2.913 1.00 0.00 C ATOM 455 C THR A 29 69.025 -10.293 3.288 1.00 0.00 C ATOM 456 O THR A 29 69.932 -10.339 2.480 1.00 0.00 O ATOM 457 CB THR A 29 67.111 -11.820 3.848 1.00 0.00 C ATOM 458 OG1 THR A 29 67.703 -13.055 3.468 1.00 0.00 O ATOM 459 CG2 THR A 29 65.588 -11.932 3.760 1.00 0.00 C ATOM 0 H THR A 29 68.486 -11.647 1.207 1.00 0.00 H new ATOM 0 HA THR A 29 66.981 -9.820 2.971 1.00 0.00 H new ATOM 0 HB THR A 29 67.394 -11.581 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.392 -13.765 4.067 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.242 -12.721 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.136 -10.985 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.299 -12.170 2.736 1.00 0.00 H new ATOM 467 N GLU A 30 69.227 -9.885 4.511 1.00 0.00 N ATOM 468 CA GLU A 30 70.590 -9.466 4.941 1.00 0.00 C ATOM 469 C GLU A 30 71.586 -10.598 4.693 1.00 0.00 C ATOM 470 O GLU A 30 72.688 -10.382 4.232 1.00 0.00 O ATOM 471 CB GLU A 30 70.465 -9.177 6.438 1.00 0.00 C ATOM 472 CG GLU A 30 71.529 -8.159 6.853 1.00 0.00 C ATOM 473 CD GLU A 30 72.694 -8.883 7.528 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.455 -9.915 8.134 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.808 -8.394 7.428 1.00 0.00 O ATOM 0 H GLU A 30 68.507 -9.824 5.231 1.00 0.00 H new ATOM 0 HA GLU A 30 70.950 -8.597 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.471 -8.791 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.586 -10.098 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.884 -7.612 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.099 -7.426 7.535 1.00 0.00 H new ATOM 482 N ASP A 31 71.199 -11.807 4.988 1.00 0.00 N ATOM 483 CA ASP A 31 72.117 -12.958 4.762 1.00 0.00 C ATOM 484 C ASP A 31 72.630 -12.930 3.324 1.00 0.00 C ATOM 485 O ASP A 31 73.818 -12.902 3.073 1.00 0.00 O ATOM 486 CB ASP A 31 71.263 -14.203 5.005 1.00 0.00 C ATOM 487 CG ASP A 31 72.095 -15.260 5.732 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.901 -14.881 6.566 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.913 -16.431 5.443 1.00 0.00 O ATOM 0 H ASP A 31 70.287 -12.048 5.376 1.00 0.00 H new ATOM 0 HA ASP A 31 72.988 -12.934 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.386 -13.945 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.901 -14.599 4.056 1.00 0.00 H new ATOM 494 N GLU A 32 71.736 -12.927 2.378 1.00 0.00 N ATOM 495 CA GLU A 32 72.160 -12.888 0.950 1.00 0.00 C ATOM 496 C GLU A 32 72.870 -11.567 0.658 1.00 0.00 C ATOM 497 O GLU A 32 73.753 -11.491 -0.176 1.00 0.00 O ATOM 498 CB GLU A 32 70.863 -12.993 0.149 1.00 0.00 C ATOM 499 CG GLU A 32 70.343 -14.429 0.204 1.00 0.00 C ATOM 500 CD GLU A 32 68.961 -14.498 -0.449 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.890 -14.337 -1.656 1.00 0.00 O ATOM 502 OE2 GLU A 32 67.998 -14.708 0.269 1.00 0.00 O ATOM 0 H GLU A 32 70.728 -12.950 2.531 1.00 0.00 H new ATOM 0 HA GLU A 32 72.855 -13.688 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.117 -12.309 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.037 -12.698 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.034 -15.097 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.285 -14.766 1.239 1.00 0.00 H new ATOM 509 N LEU A 33 72.507 -10.530 1.358 1.00 0.00 N ATOM 510 CA LEU A 33 73.171 -9.221 1.139 1.00 0.00 C ATOM 511 C LEU A 33 74.574 -9.290 1.719 1.00 0.00 C ATOM 512 O LEU A 33 75.521 -8.776 1.158 1.00 0.00 O ATOM 513 CB LEU A 33 72.316 -8.204 1.895 1.00 0.00 C ATOM 514 CG LEU A 33 70.968 -8.045 1.188 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.999 -7.287 2.097 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.166 -7.262 -0.113 1.00 0.00 C ATOM 0 H LEU A 33 71.779 -10.534 2.072 1.00 0.00 H new ATOM 0 HA LEU A 33 73.257 -8.951 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.163 -8.534 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.830 -7.244 1.941 1.00 0.00 H new ATOM 0 HG LEU A 33 70.557 -9.029 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.039 -7.174 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.859 -7.843 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.408 -6.302 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.207 -7.148 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.577 -6.278 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.856 -7.802 -0.762 1.00 0.00 H new ATOM 528 N LYS A 34 74.720 -9.946 2.835 1.00 0.00 N ATOM 529 CA LYS A 34 76.066 -10.068 3.439 1.00 0.00 C ATOM 530 C LYS A 34 76.887 -11.054 2.617 1.00 0.00 C ATOM 531 O LYS A 34 78.095 -10.960 2.524 1.00 0.00 O ATOM 532 CB LYS A 34 75.834 -10.591 4.857 1.00 0.00 C ATOM 533 CG LYS A 34 76.951 -10.090 5.775 1.00 0.00 C ATOM 534 CD LYS A 34 77.701 -11.286 6.366 1.00 0.00 C ATOM 535 CE LYS A 34 78.380 -10.869 7.672 1.00 0.00 C ATOM 536 NZ LYS A 34 77.331 -11.025 8.717 1.00 0.00 N ATOM 0 H LYS A 34 73.966 -10.400 3.350 1.00 0.00 H new ATOM 0 HA LYS A 34 76.610 -9.124 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.866 -10.253 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.812 -11.681 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.639 -9.456 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.532 -9.479 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.009 -12.108 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.445 -11.649 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.246 -11.496 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.737 -9.840 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.513 -10.358 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.397 -10.828 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.349 -11.998 9.085 1.00 0.00 H new ATOM 550 N GLU A 35 76.222 -11.985 2.005 1.00 0.00 N ATOM 551 CA GLU A 35 76.926 -12.979 1.159 1.00 0.00 C ATOM 552 C GLU A 35 77.119 -12.397 -0.240 1.00 0.00 C ATOM 553 O GLU A 35 77.975 -12.819 -0.993 1.00 0.00 O ATOM 554 CB GLU A 35 76.003 -14.198 1.118 1.00 0.00 C ATOM 555 CG GLU A 35 76.835 -15.462 0.892 1.00 0.00 C ATOM 556 CD GLU A 35 76.185 -16.640 1.619 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.129 -16.601 2.837 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.753 -17.560 0.945 1.00 0.00 O ATOM 0 H GLU A 35 75.210 -12.102 2.055 1.00 0.00 H new ATOM 0 HA GLU A 35 77.911 -13.242 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.447 -14.278 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.270 -14.085 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.909 -15.675 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.851 -15.311 1.258 1.00 0.00 H new ATOM 565 N VAL A 36 76.330 -11.414 -0.588 1.00 0.00 N ATOM 566 CA VAL A 36 76.460 -10.781 -1.927 1.00 0.00 C ATOM 567 C VAL A 36 77.560 -9.723 -1.874 1.00 0.00 C ATOM 568 O VAL A 36 78.349 -9.582 -2.787 1.00 0.00 O ATOM 569 CB VAL A 36 75.089 -10.145 -2.192 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.233 -8.936 -3.123 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.169 -11.179 -2.846 1.00 0.00 C ATOM 0 H VAL A 36 75.598 -11.023 0.004 1.00 0.00 H new ATOM 0 HA VAL A 36 76.729 -11.485 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 36 74.664 -9.814 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.252 -8.496 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.884 -8.195 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 36 75.665 -9.256 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.194 -10.730 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.606 -11.510 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.052 -12.034 -2.180 1.00 0.00 H new ATOM 581 N PHE A 37 77.611 -8.973 -0.810 1.00 0.00 N ATOM 582 CA PHE A 37 78.645 -7.924 -0.690 1.00 0.00 C ATOM 583 C PHE A 37 79.915 -8.504 -0.069 1.00 0.00 C ATOM 584 O PHE A 37 81.011 -8.279 -0.543 1.00 0.00 O ATOM 585 CB PHE A 37 78.010 -6.884 0.227 1.00 0.00 C ATOM 586 CG PHE A 37 76.699 -6.430 -0.371 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.620 -6.123 -1.734 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.563 -6.320 0.438 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.403 -5.706 -2.287 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.347 -5.904 -0.114 1.00 0.00 C ATOM 591 CZ PHE A 37 74.267 -5.597 -1.478 1.00 0.00 C ATOM 0 H PHE A 37 76.974 -9.046 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 37 78.940 -7.502 -1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.844 -7.308 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.680 -6.034 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.497 -6.208 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.625 -6.557 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.341 -5.468 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.470 -5.820 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.328 -5.276 -1.905 1.00 0.00 H new ATOM 601 N GLU A 38 79.761 -9.256 0.981 1.00 0.00 N ATOM 602 CA GLU A 38 80.938 -9.880 1.658 1.00 0.00 C ATOM 603 C GLU A 38 82.145 -8.934 1.633 1.00 0.00 C ATOM 604 O GLU A 38 83.280 -9.366 1.618 1.00 0.00 O ATOM 605 CB GLU A 38 81.233 -11.145 0.852 1.00 0.00 C ATOM 606 CG GLU A 38 81.993 -12.143 1.729 1.00 0.00 C ATOM 607 CD GLU A 38 81.332 -13.519 1.626 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.079 -13.951 0.514 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.091 -14.117 2.662 1.00 0.00 O ATOM 0 H GLU A 38 78.860 -9.470 1.408 1.00 0.00 H new ATOM 0 HA GLU A 38 80.736 -10.098 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.302 -11.590 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.823 -10.897 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.034 -12.203 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.995 -11.805 2.765 1.00 0.00 H new ATOM 616 N ASP A 39 81.909 -7.652 1.630 1.00 0.00 N ATOM 617 CA ASP A 39 83.045 -6.686 1.606 1.00 0.00 C ATOM 618 C ASP A 39 82.613 -5.350 2.212 1.00 0.00 C ATOM 619 O ASP A 39 83.209 -4.321 1.963 1.00 0.00 O ATOM 620 CB ASP A 39 83.387 -6.516 0.125 1.00 0.00 C ATOM 621 CG ASP A 39 84.901 -6.355 -0.035 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.433 -5.393 0.494 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.501 -7.197 -0.682 1.00 0.00 O ATOM 0 H ASP A 39 80.980 -7.231 1.643 1.00 0.00 H new ATOM 0 HA ASP A 39 83.899 -7.037 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.041 -7.381 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 39 82.873 -5.644 -0.280 1.00 0.00 H new ATOM 628 N ALA A 40 81.579 -5.358 3.007 1.00 0.00 N ATOM 629 CA ALA A 40 81.106 -4.088 3.628 1.00 0.00 C ATOM 630 C ALA A 40 81.088 -4.220 5.152 1.00 0.00 C ATOM 631 O ALA A 40 81.280 -5.290 5.695 1.00 0.00 O ATOM 632 CB ALA A 40 79.689 -3.889 3.091 1.00 0.00 C ATOM 0 H ALA A 40 81.041 -6.189 3.254 1.00 0.00 H new ATOM 0 HA ALA A 40 81.755 -3.245 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.269 -2.971 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.719 -3.818 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.067 -4.735 3.383 1.00 0.00 H new ATOM 638 N LEU A 41 80.852 -3.141 5.846 1.00 0.00 N ATOM 639 CA LEU A 41 80.814 -3.205 7.331 1.00 0.00 C ATOM 640 C LEU A 41 79.575 -3.971 7.777 1.00 0.00 C ATOM 641 O LEU A 41 79.610 -4.745 8.713 1.00 0.00 O ATOM 642 CB LEU A 41 80.716 -1.753 7.803 1.00 0.00 C ATOM 643 CG LEU A 41 81.745 -0.895 7.074 1.00 0.00 C ATOM 644 CD1 LEU A 41 81.854 0.461 7.771 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.102 -1.599 7.100 1.00 0.00 C ATOM 0 H LEU A 41 80.684 -2.218 5.447 1.00 0.00 H new ATOM 0 HA LEU A 41 81.690 -3.708 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.713 -1.369 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 41 80.883 -1.700 8.879 1.00 0.00 H new ATOM 0 HG LEU A 41 81.436 -0.747 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.589 1.078 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 41 80.884 0.959 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.167 0.315 8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 83.839 -0.988 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.416 -1.745 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.019 -2.567 6.606 1.00 0.00 H new ATOM 657 N GLU A 42 78.479 -3.750 7.111 1.00 0.00 N ATOM 658 CA GLU A 42 77.222 -4.451 7.494 1.00 0.00 C ATOM 659 C GLU A 42 76.087 -4.067 6.543 1.00 0.00 C ATOM 660 O GLU A 42 76.196 -3.134 5.772 1.00 0.00 O ATOM 661 CB GLU A 42 76.925 -3.969 8.917 1.00 0.00 C ATOM 662 CG GLU A 42 76.333 -2.557 8.875 1.00 0.00 C ATOM 663 CD GLU A 42 76.112 -2.053 10.302 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.434 -2.737 11.051 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.624 -0.994 10.621 1.00 0.00 O ATOM 0 H GLU A 42 78.398 -3.114 6.317 1.00 0.00 H new ATOM 0 HA GLU A 42 77.318 -5.535 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.228 -4.651 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.840 -3.972 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.005 -1.885 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.389 -2.563 8.330 1.00 0.00 H new ATOM 672 N ILE A 43 74.999 -4.781 6.595 1.00 0.00 N ATOM 673 CA ILE A 43 73.854 -4.460 5.696 1.00 0.00 C ATOM 674 C ILE A 43 72.559 -4.342 6.500 1.00 0.00 C ATOM 675 O ILE A 43 72.398 -4.959 7.534 1.00 0.00 O ATOM 676 CB ILE A 43 73.771 -5.635 4.726 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.961 -5.584 3.767 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.470 -5.547 3.925 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.916 -6.738 4.075 1.00 0.00 C ATOM 0 H ILE A 43 74.852 -5.573 7.220 1.00 0.00 H new ATOM 0 HA ILE A 43 73.993 -3.510 5.180 1.00 0.00 H new ATOM 0 HB ILE A 43 73.790 -6.570 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.614 -5.651 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.481 -4.631 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.412 -6.387 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.620 -5.579 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.450 -4.612 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.764 -6.701 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.273 -6.651 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.392 -7.686 3.953 1.00 0.00 H new ATOM 691 N ARG A 44 71.634 -3.556 6.028 1.00 0.00 N ATOM 692 CA ARG A 44 70.343 -3.396 6.755 1.00 0.00 C ATOM 693 C ARG A 44 69.174 -3.669 5.805 1.00 0.00 C ATOM 694 O ARG A 44 69.254 -3.416 4.618 1.00 0.00 O ATOM 695 CB ARG A 44 70.330 -1.941 7.222 1.00 0.00 C ATOM 696 CG ARG A 44 71.021 -1.836 8.583 1.00 0.00 C ATOM 697 CD ARG A 44 71.002 -0.380 9.053 1.00 0.00 C ATOM 698 NE ARG A 44 71.231 -0.448 10.524 1.00 0.00 N ATOM 699 CZ ARG A 44 70.262 -0.157 11.349 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.345 -1.045 11.619 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.210 1.024 11.903 1.00 0.00 N ATOM 0 H ARG A 44 71.716 -3.015 5.167 1.00 0.00 H new ATOM 0 HA ARG A 44 70.245 -4.089 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.839 -1.310 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.304 -1.580 7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 44 70.514 -2.471 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.048 -2.192 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 44 71.778 0.205 8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 70.049 0.097 8.823 1.00 0.00 H new ATOM 0 HE ARG A 44 72.144 -0.722 10.886 1.00 0.00 H new ATOM 0 HH11 ARG A 44 69.385 -1.967 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.588 -0.817 12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.926 1.719 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 44 69.453 1.252 12.548 1.00 0.00 H new ATOM 715 N LEU A 45 68.089 -4.181 6.318 1.00 0.00 N ATOM 716 CA LEU A 45 66.916 -4.471 5.449 1.00 0.00 C ATOM 717 C LEU A 45 65.947 -3.293 5.481 1.00 0.00 C ATOM 718 O LEU A 45 65.713 -2.698 6.514 1.00 0.00 O ATOM 719 CB LEU A 45 66.268 -5.716 6.055 1.00 0.00 C ATOM 720 CG LEU A 45 66.086 -6.777 4.968 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.182 -6.226 3.863 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.449 -7.141 4.377 1.00 0.00 C ATOM 0 H LEU A 45 67.965 -4.411 7.304 1.00 0.00 H new ATOM 0 HA LEU A 45 67.198 -4.630 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.890 -6.108 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.303 -5.460 6.493 1.00 0.00 H new ATOM 0 HG LEU A 45 65.629 -7.666 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.052 -6.982 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.210 -5.967 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.639 -5.336 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.320 -7.897 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.907 -6.252 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.093 -7.534 5.163 1.00 0.00 H new ATOM 734 N VAL A 46 65.389 -2.941 4.358 1.00 0.00 N ATOM 735 CA VAL A 46 64.447 -1.792 4.339 1.00 0.00 C ATOM 736 C VAL A 46 63.190 -2.129 3.527 1.00 0.00 C ATOM 737 O VAL A 46 63.255 -2.533 2.368 1.00 0.00 O ATOM 738 CB VAL A 46 65.234 -0.651 3.702 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.405 0.631 3.764 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.541 -0.452 4.471 1.00 0.00 C ATOM 0 H VAL A 46 65.544 -3.396 3.458 1.00 0.00 H new ATOM 0 HA VAL A 46 64.094 -1.530 5.337 1.00 0.00 H new ATOM 0 HB VAL A 46 65.455 -0.890 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.965 1.449 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.470 0.486 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.188 0.874 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.108 0.362 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.318 -0.208 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.129 -1.369 4.432 1.00 0.00 H new ATOM 750 N SER A 47 62.050 -1.967 4.149 1.00 0.00 N ATOM 751 CA SER A 47 60.753 -2.265 3.479 1.00 0.00 C ATOM 752 C SER A 47 59.877 -1.013 3.442 1.00 0.00 C ATOM 753 O SER A 47 60.350 0.095 3.600 1.00 0.00 O ATOM 754 CB SER A 47 60.111 -3.339 4.354 1.00 0.00 C ATOM 755 OG SER A 47 59.121 -2.744 5.182 1.00 0.00 O ATOM 0 H SER A 47 61.965 -1.635 5.110 1.00 0.00 H new ATOM 0 HA SER A 47 60.880 -2.591 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.662 -4.112 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.870 -3.825 4.967 1.00 0.00 H new ATOM 0 HG SER A 47 58.707 -3.433 5.743 1.00 0.00 H new ATOM 761 N GLN A 48 58.600 -1.182 3.239 1.00 0.00 N ATOM 762 CA GLN A 48 57.689 -0.005 3.195 1.00 0.00 C ATOM 763 C GLN A 48 57.213 0.343 4.608 1.00 0.00 C ATOM 764 O GLN A 48 56.082 0.736 4.814 1.00 0.00 O ATOM 765 CB GLN A 48 56.512 -0.446 2.325 1.00 0.00 C ATOM 766 CG GLN A 48 55.907 0.772 1.627 1.00 0.00 C ATOM 767 CD GLN A 48 55.031 1.545 2.614 1.00 0.00 C ATOM 768 OE1 GLN A 48 54.224 0.963 3.312 1.00 0.00 O ATOM 769 NE2 GLN A 48 55.158 2.840 2.706 1.00 0.00 N ATOM 0 H GLN A 48 58.148 -2.086 3.102 1.00 0.00 H new ATOM 0 HA GLN A 48 58.178 0.883 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.846 -1.173 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.758 -0.939 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.699 1.416 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 48 55.314 0.455 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.835 3.329 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 48 54.580 3.364 3.364 1.00 0.00 H new ATOM 778 N ASP A 49 58.067 0.199 5.585 1.00 0.00 N ATOM 779 CA ASP A 49 57.659 0.520 6.983 1.00 0.00 C ATOM 780 C ASP A 49 56.537 -0.418 7.429 1.00 0.00 C ATOM 781 O ASP A 49 55.743 -0.085 8.288 1.00 0.00 O ATOM 782 CB ASP A 49 57.159 1.962 6.926 1.00 0.00 C ATOM 783 CG ASP A 49 58.099 2.863 7.730 1.00 0.00 C ATOM 784 OD1 ASP A 49 58.272 2.604 8.909 1.00 0.00 O ATOM 785 OD2 ASP A 49 58.629 3.798 7.152 1.00 0.00 O ATOM 0 H ASP A 49 59.028 -0.126 5.476 1.00 0.00 H new ATOM 0 HA ASP A 49 58.477 0.400 7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 49 57.111 2.300 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 49 56.148 2.023 7.328 1.00 0.00 H new ATOM 790 N GLY A 50 56.461 -1.585 6.852 1.00 0.00 N ATOM 791 CA GLY A 50 55.383 -2.536 7.249 1.00 0.00 C ATOM 792 C GLY A 50 55.476 -3.832 6.432 1.00 0.00 C ATOM 793 O GLY A 50 55.018 -4.872 6.862 1.00 0.00 O ATOM 0 H GLY A 50 57.094 -1.921 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 50 55.465 -2.763 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.408 -2.073 7.096 1.00 0.00 H new ATOM 797 N LYS A 51 56.055 -3.790 5.260 1.00 0.00 N ATOM 798 CA LYS A 51 56.156 -5.033 4.442 1.00 0.00 C ATOM 799 C LYS A 51 57.397 -4.972 3.557 1.00 0.00 C ATOM 800 O LYS A 51 57.722 -3.939 3.005 1.00 0.00 O ATOM 801 CB LYS A 51 54.887 -5.050 3.589 1.00 0.00 C ATOM 802 CG LYS A 51 54.803 -3.760 2.772 1.00 0.00 C ATOM 803 CD LYS A 51 53.364 -3.242 2.783 1.00 0.00 C ATOM 804 CE LYS A 51 52.702 -3.540 1.436 1.00 0.00 C ATOM 805 NZ LYS A 51 52.121 -2.241 0.997 1.00 0.00 N ATOM 0 H LYS A 51 56.459 -2.955 4.837 1.00 0.00 H new ATOM 0 HA LYS A 51 56.243 -5.930 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.895 -5.914 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 51 54.009 -5.147 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 55.474 -3.009 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.127 -3.944 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.802 -3.715 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.354 -2.169 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.428 -3.912 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.931 -4.304 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.649 -2.365 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.429 -1.915 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.879 -1.535 0.904 1.00 0.00 H new ATOM 819 N SER A 52 58.091 -6.072 3.420 1.00 0.00 N ATOM 820 CA SER A 52 59.316 -6.087 2.576 1.00 0.00 C ATOM 821 C SER A 52 59.114 -5.232 1.326 1.00 0.00 C ATOM 822 O SER A 52 58.145 -5.373 0.609 1.00 0.00 O ATOM 823 CB SER A 52 59.515 -7.547 2.194 1.00 0.00 C ATOM 824 OG SER A 52 60.905 -7.844 2.174 1.00 0.00 O ATOM 0 H SER A 52 57.859 -6.963 3.859 1.00 0.00 H new ATOM 0 HA SER A 52 60.180 -5.679 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.004 -8.194 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.076 -7.742 1.215 1.00 0.00 H new ATOM 0 HG SER A 52 61.035 -8.784 1.930 1.00 0.00 H new ATOM 830 N LYS A 53 60.030 -4.353 1.061 1.00 0.00 N ATOM 831 CA LYS A 53 59.911 -3.488 -0.145 1.00 0.00 C ATOM 832 C LYS A 53 61.063 -3.799 -1.092 1.00 0.00 C ATOM 833 O LYS A 53 61.020 -3.498 -2.269 1.00 0.00 O ATOM 834 CB LYS A 53 60.006 -2.054 0.375 1.00 0.00 C ATOM 835 CG LYS A 53 59.263 -1.116 -0.577 1.00 0.00 C ATOM 836 CD LYS A 53 60.251 -0.519 -1.583 1.00 0.00 C ATOM 837 CE LYS A 53 59.795 0.889 -1.972 1.00 0.00 C ATOM 838 NZ LYS A 53 58.371 0.733 -2.380 1.00 0.00 N ATOM 0 H LYS A 53 60.862 -4.192 1.628 1.00 0.00 H new ATOM 0 HA LYS A 53 58.982 -3.646 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.577 -1.989 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.051 -1.754 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.478 -1.661 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.776 -0.320 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.250 -0.482 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.311 -1.151 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 53 59.892 1.581 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 53 60.398 1.288 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.126 1.468 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.233 -0.205 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 57.758 0.827 -1.545 1.00 0.00 H new ATOM 852 N GLY A 54 62.093 -4.413 -0.581 1.00 0.00 N ATOM 853 CA GLY A 54 63.251 -4.763 -1.437 1.00 0.00 C ATOM 854 C GLY A 54 64.362 -3.727 -1.265 1.00 0.00 C ATOM 855 O GLY A 54 65.199 -3.564 -2.132 1.00 0.00 O ATOM 0 H GLY A 54 62.179 -4.687 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.622 -5.753 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.942 -4.806 -2.481 1.00 0.00 H new ATOM 859 N ILE A 55 64.396 -3.022 -0.161 1.00 0.00 N ATOM 860 CA ILE A 55 65.478 -2.015 0.018 1.00 0.00 C ATOM 861 C ILE A 55 66.370 -2.421 1.192 1.00 0.00 C ATOM 862 O ILE A 55 65.972 -3.194 2.038 1.00 0.00 O ATOM 863 CB ILE A 55 64.751 -0.700 0.298 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.676 -0.482 -0.771 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.752 0.455 0.255 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.053 0.904 -0.595 1.00 0.00 C ATOM 0 H ILE A 55 63.732 -3.100 0.610 1.00 0.00 H new ATOM 0 HA ILE A 55 66.127 -1.930 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 55 64.287 -0.740 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.114 -0.572 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.907 -1.251 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.234 1.393 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.522 0.298 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.215 0.499 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.288 1.058 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.601 0.977 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.826 1.666 -0.697 1.00 0.00 H new ATOM 878 N ALA A 56 67.575 -1.921 1.251 1.00 0.00 N ATOM 879 CA ALA A 56 68.473 -2.303 2.379 1.00 0.00 C ATOM 880 C ALA A 56 69.629 -1.311 2.506 1.00 0.00 C ATOM 881 O ALA A 56 70.117 -0.780 1.528 1.00 0.00 O ATOM 882 CB ALA A 56 68.997 -3.692 2.013 1.00 0.00 C ATOM 0 H ALA A 56 67.974 -1.271 0.574 1.00 0.00 H new ATOM 0 HA ALA A 56 67.952 -2.299 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.668 -4.046 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.159 -4.382 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.538 -3.640 1.068 1.00 0.00 H new ATOM 888 N TYR A 57 70.080 -1.066 3.706 1.00 0.00 N ATOM 889 CA TYR A 57 71.214 -0.117 3.897 1.00 0.00 C ATOM 890 C TYR A 57 72.524 -0.902 3.990 1.00 0.00 C ATOM 891 O TYR A 57 72.720 -1.699 4.887 1.00 0.00 O ATOM 892 CB TYR A 57 70.917 0.609 5.209 1.00 0.00 C ATOM 893 CG TYR A 57 70.610 2.059 4.923 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.521 2.838 4.200 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.413 2.624 5.379 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.235 4.183 3.934 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.127 3.968 5.114 1.00 0.00 C ATOM 898 CZ TYR A 57 70.038 4.748 4.391 1.00 0.00 C ATOM 899 OH TYR A 57 69.756 6.073 4.129 1.00 0.00 O ATOM 0 H TYR A 57 69.713 -1.482 4.562 1.00 0.00 H new ATOM 0 HA TYR A 57 71.317 0.587 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.072 0.140 5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 57 71.772 0.533 5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.444 2.402 3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.710 2.022 5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.938 4.784 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.204 4.404 5.467 1.00 0.00 H new ATOM 0 HH TYR A 57 68.886 6.305 4.515 1.00 0.00 H new ATOM 909 N ILE A 58 73.414 -0.697 3.061 1.00 0.00 N ATOM 910 CA ILE A 58 74.704 -1.446 3.082 1.00 0.00 C ATOM 911 C ILE A 58 75.853 -0.522 3.499 1.00 0.00 C ATOM 912 O ILE A 58 76.259 0.347 2.756 1.00 0.00 O ATOM 913 CB ILE A 58 74.913 -1.929 1.642 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.576 -2.351 1.017 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.858 -3.127 1.639 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.100 -3.649 1.666 1.00 0.00 C ATOM 0 H ILE A 58 73.305 -0.043 2.286 1.00 0.00 H new ATOM 0 HA ILE A 58 74.682 -2.271 3.794 1.00 0.00 H new ATOM 0 HB ILE A 58 75.339 -1.111 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.832 -1.567 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.692 -2.490 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.007 -3.471 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.817 -2.835 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.426 -3.933 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.151 -3.950 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.841 -4.431 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.968 -3.493 2.737 1.00 0.00 H new ATOM 928 N GLU A 59 76.387 -0.702 4.675 1.00 0.00 N ATOM 929 CA GLU A 59 77.512 0.171 5.118 1.00 0.00 C ATOM 930 C GLU A 59 78.848 -0.446 4.700 1.00 0.00 C ATOM 931 O GLU A 59 79.438 -1.217 5.430 1.00 0.00 O ATOM 932 CB GLU A 59 77.407 0.223 6.643 1.00 0.00 C ATOM 933 CG GLU A 59 75.947 0.410 7.054 1.00 0.00 C ATOM 934 CD GLU A 59 75.324 1.541 6.232 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.027 2.497 5.949 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.155 1.431 5.900 1.00 0.00 O ATOM 0 H GLU A 59 76.095 -1.412 5.346 1.00 0.00 H new ATOM 0 HA GLU A 59 77.460 1.165 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 59 77.801 -0.696 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.012 1.043 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.393 -0.515 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 59 75.885 0.642 8.117 1.00 0.00 H new ATOM 943 N PHE A 60 79.334 -0.115 3.535 1.00 0.00 N ATOM 944 CA PHE A 60 80.635 -0.693 3.092 1.00 0.00 C ATOM 945 C PHE A 60 81.783 -0.053 3.863 1.00 0.00 C ATOM 946 O PHE A 60 81.588 0.826 4.679 1.00 0.00 O ATOM 947 CB PHE A 60 80.759 -0.358 1.608 1.00 0.00 C ATOM 948 CG PHE A 60 79.884 -1.284 0.801 1.00 0.00 C ATOM 949 CD1 PHE A 60 78.514 -1.031 0.684 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.448 -2.395 0.163 1.00 0.00 C ATOM 951 CE1 PHE A 60 77.706 -1.890 -0.070 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.640 -3.255 -0.591 1.00 0.00 C ATOM 953 CZ PHE A 60 78.269 -3.002 -0.707 1.00 0.00 C ATOM 0 H PHE A 60 78.891 0.525 2.876 1.00 0.00 H new ATOM 0 HA PHE A 60 80.675 -1.768 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.467 0.677 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 60 81.797 -0.454 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.079 -0.173 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.507 -2.589 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.648 -1.695 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.075 -4.113 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.645 -3.665 -1.288 1.00 0.00 H new ATOM 963 N LYS A 61 82.977 -0.481 3.598 1.00 0.00 N ATOM 964 CA LYS A 61 84.154 0.105 4.301 1.00 0.00 C ATOM 965 C LYS A 61 84.430 1.506 3.753 1.00 0.00 C ATOM 966 O LYS A 61 85.170 2.278 4.328 1.00 0.00 O ATOM 967 CB LYS A 61 85.317 -0.837 3.987 1.00 0.00 C ATOM 968 CG LYS A 61 86.351 -0.765 5.111 1.00 0.00 C ATOM 969 CD LYS A 61 86.933 -2.157 5.361 1.00 0.00 C ATOM 970 CE LYS A 61 86.515 -2.645 6.750 1.00 0.00 C ATOM 971 NZ LYS A 61 87.150 -1.690 7.701 1.00 0.00 N ATOM 0 H LYS A 61 83.196 -1.214 2.923 1.00 0.00 H new ATOM 0 HA LYS A 61 83.997 0.202 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 61 84.952 -1.858 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 61 85.776 -0.561 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.147 -0.070 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 85.888 -0.384 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.581 -2.852 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.020 -2.127 5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 85.430 -2.647 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 61 86.855 -3.665 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 87.497 -2.208 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 87.947 -1.212 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 86.450 -0.982 8.001 1.00 0.00 H new ATOM 985 N SER A 62 83.833 1.834 2.639 1.00 0.00 N ATOM 986 CA SER A 62 84.046 3.181 2.039 1.00 0.00 C ATOM 987 C SER A 62 83.411 3.238 0.647 1.00 0.00 C ATOM 988 O SER A 62 83.112 2.223 0.047 1.00 0.00 O ATOM 989 CB SER A 62 85.562 3.343 1.941 1.00 0.00 C ATOM 990 OG SER A 62 86.174 2.060 1.953 1.00 0.00 O ATOM 0 H SER A 62 83.204 1.224 2.117 1.00 0.00 H new ATOM 0 HA SER A 62 83.593 3.974 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 85.824 3.875 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 62 85.930 3.942 2.774 1.00 0.00 H new ATOM 0 HG SER A 62 87.147 2.161 1.889 1.00 0.00 H new ATOM 996 N GLU A 63 83.205 4.416 0.127 1.00 0.00 N ATOM 997 CA GLU A 63 82.593 4.531 -1.227 1.00 0.00 C ATOM 998 C GLU A 63 83.364 3.660 -2.219 1.00 0.00 C ATOM 999 O GLU A 63 82.800 3.108 -3.143 1.00 0.00 O ATOM 1000 CB GLU A 63 82.712 6.009 -1.597 1.00 0.00 C ATOM 1001 CG GLU A 63 82.504 6.180 -3.104 1.00 0.00 C ATOM 1002 CD GLU A 63 83.805 6.660 -3.750 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.495 7.451 -3.127 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.090 6.228 -4.854 1.00 0.00 O ATOM 0 H GLU A 63 83.433 5.302 0.579 1.00 0.00 H new ATOM 0 HA GLU A 63 81.556 4.196 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 63 81.972 6.592 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 83.693 6.388 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 82.193 5.234 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 63 81.706 6.898 -3.292 1.00 0.00 H new ATOM 1011 N ALA A 64 84.648 3.529 -2.033 1.00 0.00 N ATOM 1012 CA ALA A 64 85.446 2.690 -2.963 1.00 0.00 C ATOM 1013 C ALA A 64 84.997 1.237 -2.854 1.00 0.00 C ATOM 1014 O ALA A 64 84.833 0.553 -3.844 1.00 0.00 O ATOM 1015 CB ALA A 64 86.897 2.851 -2.506 1.00 0.00 C ATOM 0 H ALA A 64 85.176 3.967 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 64 85.324 2.986 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 87.549 2.258 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 64 87.184 3.901 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 64 86.994 2.509 -1.476 1.00 0.00 H new ATOM 1021 N ASP A 65 84.773 0.764 -1.660 1.00 0.00 N ATOM 1022 CA ASP A 65 84.309 -0.640 -1.498 1.00 0.00 C ATOM 1023 C ASP A 65 82.894 -0.749 -2.059 1.00 0.00 C ATOM 1024 O ASP A 65 82.612 -1.559 -2.924 1.00 0.00 O ATOM 1025 CB ASP A 65 84.323 -0.898 0.009 1.00 0.00 C ATOM 1026 CG ASP A 65 84.349 -2.405 0.270 1.00 0.00 C ATOM 1027 OD1 ASP A 65 83.861 -3.142 -0.571 1.00 0.00 O ATOM 1028 OD2 ASP A 65 84.857 -2.798 1.308 1.00 0.00 O ATOM 0 H ASP A 65 84.891 1.288 -0.793 1.00 0.00 H new ATOM 0 HA ASP A 65 84.933 -1.364 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.195 -0.425 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 65 83.443 -0.453 0.473 1.00 0.00 H new ATOM 1033 N ALA A 66 82.005 0.084 -1.590 1.00 0.00 N ATOM 1034 CA ALA A 66 80.615 0.052 -2.118 1.00 0.00 C ATOM 1035 C ALA A 66 80.653 0.262 -3.632 1.00 0.00 C ATOM 1036 O ALA A 66 79.926 -0.368 -4.376 1.00 0.00 O ATOM 1037 CB ALA A 66 79.897 1.212 -1.428 1.00 0.00 C ATOM 0 H ALA A 66 82.182 0.782 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 66 80.110 -0.895 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 66 78.862 1.253 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 79.919 1.063 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 66 80.398 2.148 -1.675 1.00 0.00 H new ATOM 1043 N GLU A 67 81.509 1.136 -4.095 1.00 0.00 N ATOM 1044 CA GLU A 67 81.607 1.379 -5.559 1.00 0.00 C ATOM 1045 C GLU A 67 82.190 0.146 -6.254 1.00 0.00 C ATOM 1046 O GLU A 67 81.760 -0.237 -7.325 1.00 0.00 O ATOM 1047 CB GLU A 67 82.552 2.575 -5.701 1.00 0.00 C ATOM 1048 CG GLU A 67 82.751 2.896 -7.183 1.00 0.00 C ATOM 1049 CD GLU A 67 84.173 2.520 -7.601 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.491 1.344 -7.558 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.921 3.416 -7.959 1.00 0.00 O ATOM 0 H GLU A 67 82.143 1.690 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 67 80.636 1.574 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.140 3.441 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.511 2.351 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.027 2.347 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.576 3.957 -7.363 1.00 0.00 H new ATOM 1058 N LYS A 68 83.157 -0.489 -5.644 1.00 0.00 N ATOM 1059 CA LYS A 68 83.753 -1.705 -6.267 1.00 0.00 C ATOM 1060 C LYS A 68 82.673 -2.772 -6.411 1.00 0.00 C ATOM 1061 O LYS A 68 82.538 -3.403 -7.440 1.00 0.00 O ATOM 1062 CB LYS A 68 84.840 -2.168 -5.296 1.00 0.00 C ATOM 1063 CG LYS A 68 86.114 -2.498 -6.075 1.00 0.00 C ATOM 1064 CD LYS A 68 86.091 -3.970 -6.492 1.00 0.00 C ATOM 1065 CE LYS A 68 87.510 -4.539 -6.438 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.482 -5.537 -5.334 1.00 0.00 N ATOM 0 H LYS A 68 83.557 -0.219 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 68 84.164 -1.512 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.042 -1.389 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.501 -3.045 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.189 -1.861 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.991 -2.297 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.436 -4.536 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 68 85.687 -4.067 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.785 -5.005 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 68 88.242 -3.756 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.422 -5.972 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.224 -5.064 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.781 -6.274 -5.550 1.00 0.00 H new ATOM 1080 N ASN A 69 81.889 -2.964 -5.387 1.00 0.00 N ATOM 1081 CA ASN A 69 80.802 -3.977 -5.469 1.00 0.00 C ATOM 1082 C ASN A 69 79.776 -3.527 -6.511 1.00 0.00 C ATOM 1083 O ASN A 69 79.314 -4.303 -7.327 1.00 0.00 O ATOM 1084 CB ASN A 69 80.182 -4.003 -4.073 1.00 0.00 C ATOM 1085 CG ASN A 69 80.639 -5.262 -3.334 1.00 0.00 C ATOM 1086 OD1 ASN A 69 79.832 -6.093 -2.968 1.00 0.00 O ATOM 1087 ND2 ASN A 69 81.910 -5.438 -3.097 1.00 0.00 N ATOM 0 H ASN A 69 81.954 -2.465 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 69 81.158 -4.964 -5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.478 -3.114 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.095 -3.986 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.226 -6.273 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.588 -4.740 -3.404 1.00 0.00 H new ATOM 1094 N LEU A 70 79.429 -2.267 -6.493 1.00 0.00 N ATOM 1095 CA LEU A 70 78.447 -1.745 -7.483 1.00 0.00 C ATOM 1096 C LEU A 70 78.910 -2.082 -8.898 1.00 0.00 C ATOM 1097 O LEU A 70 78.168 -2.617 -9.697 1.00 0.00 O ATOM 1098 CB LEU A 70 78.440 -0.231 -7.269 1.00 0.00 C ATOM 1099 CG LEU A 70 77.019 0.306 -7.447 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.797 1.476 -6.488 1.00 0.00 C ATOM 1101 CD2 LEU A 70 76.832 0.785 -8.888 1.00 0.00 C ATOM 0 H LEU A 70 79.786 -1.576 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 70 77.455 -2.179 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.807 0.007 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.113 0.250 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 70 76.300 -0.484 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.785 1.861 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.932 1.136 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.515 2.266 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 70 75.819 1.168 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.549 1.577 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.994 -0.048 -9.572 1.00 0.00 H new ATOM 1113 N GLU A 71 80.137 -1.780 -9.204 1.00 0.00 N ATOM 1114 CA GLU A 71 80.663 -2.091 -10.562 1.00 0.00 C ATOM 1115 C GLU A 71 80.934 -3.591 -10.670 1.00 0.00 C ATOM 1116 O GLU A 71 80.782 -4.189 -11.716 1.00 0.00 O ATOM 1117 CB GLU A 71 81.965 -1.297 -10.678 1.00 0.00 C ATOM 1118 CG GLU A 71 81.650 0.142 -11.092 1.00 0.00 C ATOM 1119 CD GLU A 71 82.581 0.561 -12.232 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.778 0.369 -12.094 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.081 1.068 -13.223 1.00 0.00 O ATOM 0 H GLU A 71 80.801 -1.331 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 71 79.963 -1.828 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.494 -1.305 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.623 -1.762 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.610 0.221 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.775 0.812 -10.241 1.00 0.00 H new ATOM 1128 N GLU A 72 81.332 -4.201 -9.587 1.00 0.00 N ATOM 1129 CA GLU A 72 81.611 -5.660 -9.615 1.00 0.00 C ATOM 1130 C GLU A 72 80.389 -6.418 -10.141 1.00 0.00 C ATOM 1131 O GLU A 72 80.493 -7.240 -11.029 1.00 0.00 O ATOM 1132 CB GLU A 72 81.894 -6.039 -8.161 1.00 0.00 C ATOM 1133 CG GLU A 72 82.212 -7.533 -8.075 1.00 0.00 C ATOM 1134 CD GLU A 72 81.900 -8.042 -6.667 1.00 0.00 C ATOM 1135 OE1 GLU A 72 81.759 -7.219 -5.778 1.00 0.00 O ATOM 1136 OE2 GLU A 72 81.806 -9.248 -6.501 1.00 0.00 O ATOM 0 H GLU A 72 81.475 -3.749 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 72 82.447 -5.910 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.732 -5.456 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.031 -5.804 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.625 -8.083 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.262 -7.706 -8.311 1.00 0.00 H new ATOM 1143 N LYS A 73 79.230 -6.146 -9.602 1.00 0.00 N ATOM 1144 CA LYS A 73 78.006 -6.856 -10.080 1.00 0.00 C ATOM 1145 C LYS A 73 76.750 -6.165 -9.546 1.00 0.00 C ATOM 1146 O LYS A 73 75.831 -6.810 -9.082 1.00 0.00 O ATOM 1147 CB LYS A 73 78.123 -8.269 -9.508 1.00 0.00 C ATOM 1148 CG LYS A 73 78.260 -8.194 -7.987 1.00 0.00 C ATOM 1149 CD LYS A 73 79.288 -9.222 -7.513 1.00 0.00 C ATOM 1150 CE LYS A 73 78.764 -10.634 -7.789 1.00 0.00 C ATOM 1151 NZ LYS A 73 78.695 -11.286 -6.452 1.00 0.00 N ATOM 0 H LYS A 73 79.077 -5.467 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 73 77.928 -6.859 -11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.244 -8.855 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.987 -8.776 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.569 -7.192 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.296 -8.385 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.236 -9.068 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.480 -9.096 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 73 77.784 -10.605 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.429 -11.178 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.344 -12.259 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.643 -11.305 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.050 -10.750 -5.837 1.00 0.00 H new ATOM 1165 N GLN A 74 76.709 -4.859 -9.608 1.00 0.00 N ATOM 1166 CA GLN A 74 75.522 -4.112 -9.104 1.00 0.00 C ATOM 1167 C GLN A 74 75.010 -4.766 -7.818 1.00 0.00 C ATOM 1168 O GLN A 74 75.489 -4.486 -6.740 1.00 0.00 O ATOM 1169 CB GLN A 74 74.490 -4.201 -10.231 1.00 0.00 C ATOM 1170 CG GLN A 74 73.236 -3.421 -9.837 1.00 0.00 C ATOM 1171 CD GLN A 74 73.630 -1.999 -9.433 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.979 -1.384 -8.613 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.679 -1.448 -9.979 1.00 0.00 N ATOM 0 H GLN A 74 77.454 -4.275 -9.989 1.00 0.00 H new ATOM 0 HA GLN A 74 75.745 -3.074 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 74 74.907 -3.797 -11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.237 -5.243 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 74 72.534 -3.393 -10.671 1.00 0.00 H new ATOM 0 HG3 GLN A 74 72.729 -3.919 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.226 -1.964 -10.668 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.952 -0.501 -9.717 1.00 0.00 H new ATOM 1182 N GLY A 75 74.055 -5.643 -7.923 1.00 0.00 N ATOM 1183 CA GLY A 75 73.533 -6.321 -6.703 1.00 0.00 C ATOM 1184 C GLY A 75 73.698 -7.837 -6.847 1.00 0.00 C ATOM 1185 O GLY A 75 72.748 -8.587 -6.738 1.00 0.00 O ATOM 0 H GLY A 75 73.612 -5.921 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 75 74.069 -5.969 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.482 -6.072 -6.558 1.00 0.00 H new ATOM 1189 N ALA A 76 74.906 -8.281 -7.078 1.00 0.00 N ATOM 1190 CA ALA A 76 75.184 -9.746 -7.216 1.00 0.00 C ATOM 1191 C ALA A 76 74.145 -10.457 -8.092 1.00 0.00 C ATOM 1192 O ALA A 76 73.886 -11.630 -7.913 1.00 0.00 O ATOM 1193 CB ALA A 76 75.129 -10.290 -5.789 1.00 0.00 C ATOM 0 H ALA A 76 75.726 -7.683 -7.179 1.00 0.00 H new ATOM 0 HA ALA A 76 76.145 -9.916 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.323 -11.363 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.883 -9.791 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.141 -10.105 -5.367 1.00 0.00 H new ATOM 1199 N GLU A 77 73.566 -9.774 -9.042 1.00 0.00 N ATOM 1200 CA GLU A 77 72.559 -10.435 -9.932 1.00 0.00 C ATOM 1201 C GLU A 77 71.689 -11.412 -9.133 1.00 0.00 C ATOM 1202 O GLU A 77 72.019 -12.572 -8.991 1.00 0.00 O ATOM 1203 CB GLU A 77 73.392 -11.192 -10.967 1.00 0.00 C ATOM 1204 CG GLU A 77 73.030 -10.701 -12.369 1.00 0.00 C ATOM 1205 CD GLU A 77 74.085 -9.702 -12.847 1.00 0.00 C ATOM 1206 OE1 GLU A 77 75.070 -9.529 -12.147 1.00 0.00 O ATOM 1207 OE2 GLU A 77 73.892 -9.127 -13.906 1.00 0.00 O ATOM 0 H GLU A 77 73.744 -8.790 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 77 71.881 -9.714 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.454 -11.037 -10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.207 -12.263 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.973 -11.544 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.047 -10.231 -12.359 1.00 0.00 H new ATOM 1214 N ILE A 78 70.585 -10.957 -8.608 1.00 0.00 N ATOM 1215 CA ILE A 78 69.710 -11.873 -7.818 1.00 0.00 C ATOM 1216 C ILE A 78 68.263 -11.752 -8.289 1.00 0.00 C ATOM 1217 O ILE A 78 67.914 -10.851 -9.023 1.00 0.00 O ATOM 1218 CB ILE A 78 69.824 -11.405 -6.367 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.271 -11.013 -6.048 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.396 -12.538 -5.432 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.314 -10.272 -4.713 1.00 0.00 C ATOM 0 H ILE A 78 70.251 -9.997 -8.690 1.00 0.00 H new ATOM 0 HA ILE A 78 70.009 -12.915 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 78 69.178 -10.539 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 78 71.899 -11.903 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.671 -10.381 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 78 69.477 -12.206 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.363 -12.815 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.043 -13.402 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.343 -9.993 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 78 70.699 -9.374 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 78 70.931 -10.920 -3.925 1.00 0.00 H new ATOM 1233 N ASP A 79 67.418 -12.650 -7.869 1.00 0.00 N ATOM 1234 CA ASP A 79 65.993 -12.585 -8.292 1.00 0.00 C ATOM 1235 C ASP A 79 65.902 -12.231 -9.779 1.00 0.00 C ATOM 1236 O ASP A 79 65.070 -11.450 -10.194 1.00 0.00 O ATOM 1237 CB ASP A 79 65.369 -11.484 -7.433 1.00 0.00 C ATOM 1238 CG ASP A 79 64.421 -12.112 -6.411 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.257 -12.279 -6.738 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.874 -12.417 -5.321 1.00 0.00 O ATOM 0 H ASP A 79 67.653 -13.427 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 79 65.479 -13.537 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.149 -10.920 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 79 64.827 -10.779 -8.063 1.00 0.00 H new ATOM 1245 N GLY A 80 66.758 -12.802 -10.583 1.00 0.00 N ATOM 1246 CA GLY A 80 66.732 -12.506 -12.038 1.00 0.00 C ATOM 1247 C GLY A 80 67.094 -11.038 -12.272 1.00 0.00 C ATOM 1248 O GLY A 80 66.660 -10.428 -13.229 1.00 0.00 O ATOM 0 H GLY A 80 67.477 -13.464 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 80 67.435 -13.152 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.742 -12.716 -12.444 1.00 0.00 H new ATOM 1252 N ARG A 81 67.886 -10.465 -11.406 1.00 0.00 N ATOM 1253 CA ARG A 81 68.277 -9.036 -11.581 1.00 0.00 C ATOM 1254 C ARG A 81 69.218 -8.601 -10.455 1.00 0.00 C ATOM 1255 O ARG A 81 68.931 -8.778 -9.288 1.00 0.00 O ATOM 1256 CB ARG A 81 66.964 -8.254 -11.511 1.00 0.00 C ATOM 1257 CG ARG A 81 66.295 -8.501 -10.158 1.00 0.00 C ATOM 1258 CD ARG A 81 64.930 -7.810 -10.129 1.00 0.00 C ATOM 1259 NE ARG A 81 64.014 -8.742 -10.842 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.738 -8.476 -10.912 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.033 -8.370 -9.819 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.168 -8.317 -12.075 1.00 0.00 N ATOM 0 H ARG A 81 68.279 -10.925 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 81 68.805 -8.866 -12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 81 67.155 -7.189 -11.645 1.00 0.00 H new ATOM 0 HB3 ARG A 81 66.301 -8.563 -12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.176 -9.571 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.925 -8.120 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.597 -7.635 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.968 -6.839 -10.622 1.00 0.00 H new ATOM 0 HE ARG A 81 64.383 -9.588 -11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.479 -8.495 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.036 -8.162 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.720 -8.401 -12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.171 -8.109 -12.130 1.00 0.00 H new ATOM 1276 N SER A 82 70.340 -8.028 -10.794 1.00 0.00 N ATOM 1277 CA SER A 82 71.294 -7.577 -9.741 1.00 0.00 C ATOM 1278 C SER A 82 70.629 -6.540 -8.841 1.00 0.00 C ATOM 1279 O SER A 82 70.053 -5.578 -9.311 1.00 0.00 O ATOM 1280 CB SER A 82 72.461 -6.952 -10.506 1.00 0.00 C ATOM 1281 OG SER A 82 72.435 -7.402 -11.854 1.00 0.00 O ATOM 0 H SER A 82 70.638 -7.853 -11.754 1.00 0.00 H new ATOM 0 HA SER A 82 71.619 -8.395 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.392 -5.865 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 82 73.406 -7.226 -10.037 1.00 0.00 H new ATOM 0 HG SER A 82 73.181 -7.002 -12.347 1.00 0.00 H new ATOM 1287 N VAL A 83 70.707 -6.714 -7.551 1.00 0.00 N ATOM 1288 CA VAL A 83 70.079 -5.716 -6.640 1.00 0.00 C ATOM 1289 C VAL A 83 70.690 -4.335 -6.898 1.00 0.00 C ATOM 1290 O VAL A 83 71.873 -4.206 -7.136 1.00 0.00 O ATOM 1291 CB VAL A 83 70.383 -6.203 -5.221 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.197 -5.051 -4.232 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.424 -7.341 -4.860 1.00 0.00 C ATOM 0 H VAL A 83 71.174 -7.496 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 83 69.004 -5.625 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 83 71.412 -6.560 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.414 -5.400 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.876 -4.238 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.168 -4.693 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.638 -7.690 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.397 -6.980 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.554 -8.163 -5.563 1.00 0.00 H new ATOM 1303 N SER A 84 69.895 -3.303 -6.875 1.00 0.00 N ATOM 1304 CA SER A 84 70.451 -1.948 -7.145 1.00 0.00 C ATOM 1305 C SER A 84 71.268 -1.439 -5.959 1.00 0.00 C ATOM 1306 O SER A 84 70.781 -1.332 -4.852 1.00 0.00 O ATOM 1307 CB SER A 84 69.242 -1.049 -7.373 1.00 0.00 C ATOM 1308 OG SER A 84 68.100 -1.851 -7.635 1.00 0.00 O ATOM 0 H SER A 84 68.894 -3.337 -6.683 1.00 0.00 H new ATOM 0 HA SER A 84 71.122 -1.962 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.068 -0.425 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.428 -0.377 -8.211 1.00 0.00 H new ATOM 0 HG SER A 84 67.933 -1.877 -8.600 1.00 0.00 H new ATOM 1314 N LEU A 85 72.502 -1.105 -6.198 1.00 0.00 N ATOM 1315 CA LEU A 85 73.366 -0.575 -5.103 1.00 0.00 C ATOM 1316 C LEU A 85 73.561 0.931 -5.305 1.00 0.00 C ATOM 1317 O LEU A 85 74.243 1.358 -6.215 1.00 0.00 O ATOM 1318 CB LEU A 85 74.702 -1.311 -5.249 1.00 0.00 C ATOM 1319 CG LEU A 85 74.598 -2.725 -4.668 1.00 0.00 C ATOM 1320 CD1 LEU A 85 76.002 -3.315 -4.518 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.927 -2.674 -3.294 1.00 0.00 C ATOM 0 H LEU A 85 72.955 -1.176 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 85 72.934 -0.727 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.983 -1.363 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.488 -0.757 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 85 74.004 -3.345 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.932 -4.321 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.485 -3.357 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.590 -2.688 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.856 -3.682 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.519 -2.052 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.927 -2.251 -3.393 1.00 0.00 H new ATOM 1333 N TYR A 86 72.951 1.741 -4.484 1.00 0.00 N ATOM 1334 CA TYR A 86 73.096 3.215 -4.660 1.00 0.00 C ATOM 1335 C TYR A 86 73.779 3.861 -3.453 1.00 0.00 C ATOM 1336 O TYR A 86 73.139 4.196 -2.475 1.00 0.00 O ATOM 1337 CB TYR A 86 71.668 3.731 -4.775 1.00 0.00 C ATOM 1338 CG TYR A 86 70.990 3.104 -5.967 1.00 0.00 C ATOM 1339 CD1 TYR A 86 71.676 2.986 -7.181 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.672 2.645 -5.859 1.00 0.00 C ATOM 1341 CE1 TYR A 86 71.044 2.407 -8.287 1.00 0.00 C ATOM 1342 CE2 TYR A 86 69.039 2.067 -6.965 1.00 0.00 C ATOM 1343 CZ TYR A 86 69.725 1.948 -8.180 1.00 0.00 C ATOM 1344 OH TYR A 86 69.102 1.380 -9.272 1.00 0.00 O ATOM 0 H TYR A 86 72.362 1.449 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 86 73.711 3.452 -5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.114 3.498 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.671 4.816 -4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 86 72.692 3.342 -7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.143 2.737 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 86 71.574 2.314 -9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.022 1.713 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 86 68.191 1.114 -9.027 1.00 0.00 H new ATOM 1354 N TYR A 87 75.068 4.052 -3.509 1.00 0.00 N ATOM 1355 CA TYR A 87 75.770 4.676 -2.388 1.00 0.00 C ATOM 1356 C TYR A 87 75.431 6.165 -2.297 1.00 0.00 C ATOM 1357 O TYR A 87 74.725 6.705 -3.127 1.00 0.00 O ATOM 1358 CB TYR A 87 77.252 4.452 -2.686 1.00 0.00 C ATOM 1359 CG TYR A 87 77.588 4.655 -4.151 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.031 5.717 -4.876 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.475 3.772 -4.779 1.00 0.00 C ATOM 1362 CE1 TYR A 87 77.363 5.891 -6.225 1.00 0.00 C ATOM 1363 CE2 TYR A 87 78.807 3.948 -6.126 1.00 0.00 C ATOM 1364 CZ TYR A 87 78.249 5.007 -6.851 1.00 0.00 C ATOM 1365 OH TYR A 87 78.575 5.180 -8.180 1.00 0.00 O ATOM 0 H TYR A 87 75.659 3.794 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 87 75.484 4.250 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.848 5.136 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 87 77.530 3.440 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.347 6.400 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.904 2.953 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 87 76.934 6.710 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 87 79.494 3.267 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 87 79.203 4.480 -8.457 1.00 0.00 H new ATOM 1375 N THR A 88 75.921 6.829 -1.289 1.00 0.00 N ATOM 1376 CA THR A 88 75.620 8.282 -1.136 1.00 0.00 C ATOM 1377 C THR A 88 76.908 9.060 -0.848 1.00 0.00 C ATOM 1378 O THR A 88 76.910 10.028 -0.115 1.00 0.00 O ATOM 1379 CB THR A 88 74.652 8.375 0.050 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.724 9.675 0.618 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.017 7.334 1.115 1.00 0.00 C ATOM 0 H THR A 88 76.517 6.430 -0.564 1.00 0.00 H new ATOM 0 HA THR A 88 75.187 8.709 -2.040 1.00 0.00 H new ATOM 0 HB THR A 88 73.639 8.182 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.278 10.250 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.322 7.410 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.956 6.335 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.032 7.516 1.468 1.00 0.00 H new ATOM 1389 N GLY A 89 78.001 8.643 -1.425 1.00 0.00 N ATOM 1390 CA GLY A 89 79.289 9.357 -1.191 1.00 0.00 C ATOM 1391 C GLY A 89 79.443 10.498 -2.186 1.00 0.00 C ATOM 1392 O GLY A 89 80.469 11.144 -2.269 1.00 0.00 O ATOM 0 H GLY A 89 78.059 7.838 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 89 79.319 9.745 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 89 80.123 8.662 -1.291 1.00 0.00 H new ATOM 1396 N GLU A 90 78.423 10.740 -2.934 1.00 0.00 N ATOM 1397 CA GLU A 90 78.457 11.837 -3.949 1.00 0.00 C ATOM 1398 C GLU A 90 79.358 11.446 -5.123 1.00 0.00 C ATOM 1399 O GLU A 90 80.282 12.153 -5.471 1.00 0.00 O ATOM 1400 CB GLU A 90 79.027 13.053 -3.215 1.00 0.00 C ATOM 1401 CG GLU A 90 78.408 14.331 -3.787 1.00 0.00 C ATOM 1402 CD GLU A 90 79.519 15.271 -4.259 1.00 0.00 C ATOM 1403 OE1 GLU A 90 80.219 15.799 -3.412 1.00 0.00 O ATOM 1404 OE2 GLU A 90 79.650 15.446 -5.459 1.00 0.00 O ATOM 0 H GLU A 90 77.545 10.222 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 90 77.469 12.042 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 90 78.815 12.979 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.111 13.081 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 90 77.747 14.087 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 77.799 14.823 -3.029 1.00 0.00 H new ATOM 1411 N LYS A 91 79.092 10.326 -5.739 1.00 0.00 N ATOM 1412 CA LYS A 91 79.930 9.890 -6.893 1.00 0.00 C ATOM 1413 C LYS A 91 79.037 9.403 -8.037 1.00 0.00 C ATOM 1414 O LYS A 91 78.973 10.008 -9.089 1.00 0.00 O ATOM 1415 CB LYS A 91 80.782 8.743 -6.351 1.00 0.00 C ATOM 1416 CG LYS A 91 82.012 8.555 -7.241 1.00 0.00 C ATOM 1417 CD LYS A 91 82.928 9.774 -7.111 1.00 0.00 C ATOM 1418 CE LYS A 91 84.204 9.377 -6.366 1.00 0.00 C ATOM 1419 NZ LYS A 91 85.213 9.133 -7.433 1.00 0.00 N ATOM 0 H LYS A 91 78.330 9.694 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 91 80.543 10.699 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 91 81.090 8.957 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 91 80.197 7.824 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 91 82.548 7.651 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 91 81.706 8.426 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 91 83.177 10.162 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 91 82.415 10.572 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 91 84.528 10.168 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 91 84.046 8.484 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 86.117 8.856 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 84.880 8.371 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 85.348 10.002 -7.989 1.00 0.00 H new ATOM 1433 N GLY A 92 78.344 8.316 -7.838 1.00 0.00 N ATOM 1434 CA GLY A 92 77.454 7.789 -8.912 1.00 0.00 C ATOM 1435 C GLY A 92 78.179 7.851 -10.257 1.00 0.00 C ATOM 1436 O GLY A 92 79.393 7.881 -10.319 1.00 0.00 O ATOM 0 H GLY A 92 78.355 7.769 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.168 6.761 -8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.535 8.373 -8.956 1.00 0.00 H new ATOM 1440 N GLY A 93 77.445 7.870 -11.336 1.00 0.00 N ATOM 1441 CA GLY A 93 78.092 7.930 -12.678 1.00 0.00 C ATOM 1442 C GLY A 93 77.382 8.973 -13.541 1.00 0.00 C ATOM 1443 O GLY A 93 77.078 8.737 -14.694 1.00 0.00 O ATOM 0 H GLY A 93 76.425 7.847 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 93 79.146 8.186 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 93 78.047 6.953 -13.159 1.00 0.00 H new ATOM 1447 N THR A 94 77.115 10.128 -12.994 1.00 0.00 N ATOM 1448 CA THR A 94 76.424 11.186 -13.786 1.00 0.00 C ATOM 1449 C THR A 94 77.319 11.655 -14.937 1.00 0.00 C ATOM 1450 O THR A 94 78.516 11.444 -14.928 1.00 0.00 O ATOM 1451 CB THR A 94 76.181 12.327 -12.797 1.00 0.00 C ATOM 1452 OG1 THR A 94 75.467 13.370 -13.444 1.00 0.00 O ATOM 1453 CG2 THR A 94 77.523 12.862 -12.292 1.00 0.00 C ATOM 0 H THR A 94 77.345 10.385 -12.034 1.00 0.00 H new ATOM 0 HA THR A 94 75.496 10.828 -14.231 1.00 0.00 H new ATOM 0 HB THR A 94 75.599 11.958 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 94 75.309 14.101 -12.810 1.00 0.00 H new ATOM 0 HG21 THR A 94 77.349 13.675 -11.587 1.00 0.00 H new ATOM 0 HG22 THR A 94 78.070 12.061 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 94 78.108 13.231 -13.134 1.00 0.00 H new ATOM 1461 N ARG A 95 76.746 12.284 -15.927 1.00 0.00 N ATOM 1462 CA ARG A 95 77.552 12.765 -17.082 1.00 0.00 C ATOM 1463 C ARG A 95 78.890 13.335 -16.602 1.00 0.00 C ATOM 1464 O ARG A 95 78.980 14.479 -16.201 1.00 0.00 O ATOM 1465 CB ARG A 95 76.703 13.860 -17.727 1.00 0.00 C ATOM 1466 CG ARG A 95 76.328 13.445 -19.150 1.00 0.00 C ATOM 1467 CD ARG A 95 77.552 13.574 -20.060 1.00 0.00 C ATOM 1468 NE ARG A 95 77.136 12.966 -21.354 1.00 0.00 N ATOM 1469 CZ ARG A 95 77.900 13.082 -22.406 1.00 0.00 C ATOM 1470 NH1 ARG A 95 78.548 14.194 -22.621 1.00 0.00 N ATOM 1471 NH2 ARG A 95 78.017 12.085 -23.240 1.00 0.00 N ATOM 0 H ARG A 95 75.748 12.486 -15.984 1.00 0.00 H new ATOM 0 HA ARG A 95 77.786 11.963 -17.782 1.00 0.00 H new ATOM 0 HB2 ARG A 95 75.802 14.031 -17.138 1.00 0.00 H new ATOM 0 HB3 ARG A 95 77.255 14.800 -17.745 1.00 0.00 H new ATOM 0 HG2 ARG A 95 75.964 12.418 -19.156 1.00 0.00 H new ATOM 0 HG3 ARG A 95 75.518 14.073 -19.521 1.00 0.00 H new ATOM 0 HD2 ARG A 95 77.840 14.617 -20.189 1.00 0.00 H new ATOM 0 HD3 ARG A 95 78.413 13.055 -19.639 1.00 0.00 H new ATOM 0 HE ARG A 95 76.254 12.459 -21.418 1.00 0.00 H new ATOM 0 HH11 ARG A 95 78.457 14.972 -21.967 1.00 0.00 H new ATOM 0 HH12 ARG A 95 79.145 14.286 -23.443 1.00 0.00 H new ATOM 0 HH21 ARG A 95 77.512 11.216 -23.070 1.00 0.00 H new ATOM 0 HH22 ARG A 95 78.614 12.175 -24.062 1.00 0.00 H new ATOM 1485 N GLY A 96 79.930 12.547 -16.640 1.00 0.00 N ATOM 1486 CA GLY A 96 81.260 13.045 -16.186 1.00 0.00 C ATOM 1487 C GLY A 96 82.111 13.410 -17.404 1.00 0.00 C ATOM 1488 O GLY A 96 83.257 13.781 -17.210 1.00 0.00 O ATOM 1489 OXT GLY A 96 81.603 13.314 -18.509 1.00 0.00 O ATOM 0 H GLY A 96 79.916 11.580 -16.966 1.00 0.00 H new ATOM 0 HA2 GLY A 96 81.134 13.916 -15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 96 81.763 12.281 -15.593 1.00 0.00 H new TER 1493 GLY A 96