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+ 147:sc= 0.236 (180deg=0.0339) USER MOD Single : A 1 SER OG : rot 180:sc= 0.16 USER MOD Single : A 2 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.0072) USER MOD Single : A 3 MET CE :methyl 163:sc= -0.171 (180deg=-0.894) USER MOD Single : A 8 CYS SG : rot -170:sc= -0.044 USER MOD Single : A 9 THR OG1 : rot 55:sc= 0.916 USER MOD Single : A 10 SER OG : rot 63:sc= 0.603 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 180:sc= -0.417 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.24! K(o=-3.2!,f=-1) USER MOD Single : A 25 SER OG : rot 180:sc= -0.205! USER MOD Single : A 27 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.121) USER MOD Single : A 47 SER OG : rot -140:sc= -0.522! USER MOD Single : A 48 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 120:sc= -0.189 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.46 USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= -0.234 (180deg=-1.64!) USER MOD Single : A 69 ASN : amide:sc= -3.54! C(o=-3.5!,f=-3!) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0.0523 (180deg=0.0372) USER MOD Single : A 74 GLN : amide:sc= -4.76! C(o=-4.8!,f=-19!) USER MOD Single : A 82 SER OG : rot 75:sc= 0.156 USER MOD Single : A 84 SER OG : rot -170:sc= -1.21 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -63:sc= -0.463 USER MOD Single : A 88 THR OG1 : rot -35:sc= 0.906 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 91.203 16.537 -19.050 1.00 0.00 N ATOM 2 CA SER A 1 90.547 17.235 -17.908 1.00 0.00 C ATOM 3 C SER A 1 89.664 16.258 -17.126 1.00 0.00 C ATOM 4 O SER A 1 88.630 15.827 -17.598 1.00 0.00 O ATOM 5 CB SER A 1 89.695 18.330 -18.550 1.00 0.00 C ATOM 6 OG SER A 1 90.478 19.033 -19.505 1.00 0.00 O ATOM 0 H1 SER A 1 91.313 17.199 -19.844 1.00 0.00 H new ATOM 0 H2 SER A 1 92.138 16.192 -18.755 1.00 0.00 H new ATOM 0 H3 SER A 1 90.616 15.733 -19.349 1.00 0.00 H new ATOM 0 HA SER A 1 91.271 17.642 -17.203 1.00 0.00 H new ATOM 0 HB2 SER A 1 88.821 17.892 -19.031 1.00 0.00 H new ATOM 0 HB3 SER A 1 89.328 19.016 -17.787 1.00 0.00 H new ATOM 0 HG SER A 1 89.935 19.735 -19.920 1.00 0.00 H new ATOM 14 N HIS A 2 90.065 15.904 -15.937 1.00 0.00 N ATOM 15 CA HIS A 2 89.249 14.955 -15.126 1.00 0.00 C ATOM 16 C HIS A 2 88.555 15.697 -13.981 1.00 0.00 C ATOM 17 O HIS A 2 87.440 16.161 -14.114 1.00 0.00 O ATOM 18 CB HIS A 2 90.251 13.938 -14.578 1.00 0.00 C ATOM 19 CG HIS A 2 90.639 12.978 -15.669 1.00 0.00 C ATOM 20 ND1 HIS A 2 91.826 12.263 -15.636 1.00 0.00 N ATOM 21 CD2 HIS A 2 90.008 12.606 -16.829 1.00 0.00 C ATOM 22 CE1 HIS A 2 91.870 11.503 -16.746 1.00 0.00 C ATOM 23 NE2 HIS A 2 90.787 11.673 -17.508 1.00 0.00 N ATOM 0 H HIS A 2 90.922 16.230 -15.491 1.00 0.00 H new ATOM 0 HA HIS A 2 88.465 14.478 -15.715 1.00 0.00 H new ATOM 0 HB2 HIS A 2 91.135 14.451 -14.199 1.00 0.00 H new ATOM 0 HB3 HIS A 2 89.813 13.395 -13.740 1.00 0.00 H new ATOM 0 HD2 HIS A 2 89.052 12.980 -17.165 1.00 0.00 H new ATOM 0 HE1 HIS A 2 92.683 10.836 -16.991 1.00 0.00 H new ATOM 0 HE2 HIS A 2 90.576 11.218 -18.396 1.00 0.00 H new ATOM 31 N MET A 3 89.205 15.812 -12.855 1.00 0.00 N ATOM 32 CA MET A 3 88.583 16.525 -11.702 1.00 0.00 C ATOM 33 C MET A 3 89.531 16.517 -10.501 1.00 0.00 C ATOM 34 O MET A 3 90.179 15.529 -10.216 1.00 0.00 O ATOM 35 CB MET A 3 87.311 15.734 -11.389 1.00 0.00 C ATOM 36 CG MET A 3 86.218 16.694 -10.917 1.00 0.00 C ATOM 37 SD MET A 3 84.609 16.111 -11.508 1.00 0.00 S ATOM 38 CE MET A 3 83.633 17.526 -10.943 1.00 0.00 C ATOM 0 H MET A 3 90.140 15.443 -12.683 1.00 0.00 H new ATOM 0 HA MET A 3 88.369 17.570 -11.928 1.00 0.00 H new ATOM 0 HB2 MET A 3 86.978 15.194 -12.275 1.00 0.00 H new ATOM 0 HB3 MET A 3 87.513 14.989 -10.619 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.218 16.755 -9.829 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.414 17.698 -11.293 1.00 0.00 H new ATOM 0 HE1 MET A 3 82.671 17.532 -11.455 1.00 0.00 H new ATOM 0 HE2 MET A 3 83.472 17.451 -9.868 1.00 0.00 H new ATOM 0 HE3 MET A 3 84.168 18.449 -11.166 1.00 0.00 H new ATOM 48 N LEU A 4 89.617 17.609 -9.794 1.00 0.00 N ATOM 49 CA LEU A 4 90.523 17.664 -8.610 1.00 0.00 C ATOM 50 C LEU A 4 90.045 18.736 -7.627 1.00 0.00 C ATOM 51 O LEU A 4 90.529 19.850 -7.626 1.00 0.00 O ATOM 52 CB LEU A 4 91.894 18.029 -9.179 1.00 0.00 C ATOM 53 CG LEU A 4 92.990 17.401 -8.316 1.00 0.00 C ATOM 54 CD1 LEU A 4 94.278 17.284 -9.133 1.00 0.00 C ATOM 55 CD2 LEU A 4 93.242 18.284 -7.092 1.00 0.00 C ATOM 0 H LEU A 4 89.099 18.467 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 4 90.547 16.722 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 4 91.979 17.675 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 4 92.012 19.112 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 4 92.674 16.410 -7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 4 95.059 16.837 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 4 94.099 16.657 -10.006 1.00 0.00 H new ATOM 0 HD13 LEU A 4 94.595 18.275 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 4 94.023 17.838 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 4 93.558 19.275 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 4 92.325 18.369 -6.510 1.00 0.00 H new ATOM 67 N GLU A 5 89.100 18.407 -6.790 1.00 0.00 N ATOM 68 CA GLU A 5 88.592 19.408 -5.809 1.00 0.00 C ATOM 69 C GLU A 5 87.997 18.699 -4.588 1.00 0.00 C ATOM 70 O GLU A 5 87.005 18.005 -4.685 1.00 0.00 O ATOM 71 CB GLU A 5 87.509 20.184 -6.559 1.00 0.00 C ATOM 72 CG GLU A 5 86.557 19.201 -7.242 1.00 0.00 C ATOM 73 CD GLU A 5 85.647 19.959 -8.210 1.00 0.00 C ATOM 74 OE1 GLU A 5 85.741 21.175 -8.251 1.00 0.00 O ATOM 75 OE2 GLU A 5 84.873 19.311 -8.896 1.00 0.00 O ATOM 0 H GLU A 5 88.658 17.489 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 5 89.382 20.063 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 5 86.957 20.820 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 5 87.965 20.840 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 5 87.125 18.442 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 5 85.958 18.681 -6.495 1.00 0.00 H new ATOM 82 N ASP A 6 88.596 18.869 -3.442 1.00 0.00 N ATOM 83 CA ASP A 6 88.066 18.205 -2.218 1.00 0.00 C ATOM 84 C ASP A 6 86.588 18.554 -2.023 1.00 0.00 C ATOM 85 O ASP A 6 86.134 19.595 -2.454 1.00 0.00 O ATOM 86 CB ASP A 6 88.905 18.766 -1.069 1.00 0.00 C ATOM 87 CG ASP A 6 90.264 18.064 -1.038 1.00 0.00 C ATOM 88 OD1 ASP A 6 90.300 16.900 -0.673 1.00 0.00 O ATOM 89 OD2 ASP A 6 91.246 18.701 -1.381 1.00 0.00 O ATOM 0 H ASP A 6 89.430 19.439 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 6 88.130 17.119 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 6 89.042 19.840 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 6 88.387 18.620 -0.121 1.00 0.00 H new ATOM 94 N PRO A 7 85.886 17.663 -1.377 1.00 0.00 N ATOM 95 CA PRO A 7 84.441 17.872 -1.119 1.00 0.00 C ATOM 96 C PRO A 7 84.240 18.936 -0.034 1.00 0.00 C ATOM 97 O PRO A 7 85.115 19.735 0.235 1.00 0.00 O ATOM 98 CB PRO A 7 83.963 16.505 -0.635 1.00 0.00 C ATOM 99 CG PRO A 7 85.184 15.843 -0.080 1.00 0.00 C ATOM 100 CD PRO A 7 86.369 16.390 -0.833 1.00 0.00 C ATOM 0 HA PRO A 7 83.895 18.224 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 7 83.188 16.604 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 7 83.536 15.924 -1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 7 85.280 16.045 0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 7 85.121 14.761 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 7 87.227 16.536 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.686 15.712 -1.625 1.00 0.00 H new ATOM 108 N CYS A 8 83.093 18.951 0.589 1.00 0.00 N ATOM 109 CA CYS A 8 82.837 19.963 1.654 1.00 0.00 C ATOM 110 C CYS A 8 83.897 19.853 2.754 1.00 0.00 C ATOM 111 O CYS A 8 84.431 20.842 3.213 1.00 0.00 O ATOM 112 CB CYS A 8 81.454 19.616 2.206 1.00 0.00 C ATOM 113 SG CYS A 8 80.212 19.844 0.908 1.00 0.00 S ATOM 0 H CYS A 8 82.323 18.307 0.407 1.00 0.00 H new ATOM 0 HA CYS A 8 82.880 20.983 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 8 81.440 18.585 2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 8 81.222 20.250 3.061 1.00 0.00 H new ATOM 0 HG CYS A 8 79.023 19.754 1.425 1.00 0.00 H new ATOM 119 N THR A 9 84.206 18.654 3.173 1.00 0.00 N ATOM 120 CA THR A 9 85.231 18.456 4.235 1.00 0.00 C ATOM 121 C THR A 9 85.162 17.014 4.750 1.00 0.00 C ATOM 122 O THR A 9 86.169 16.370 4.964 1.00 0.00 O ATOM 123 CB THR A 9 84.885 19.474 5.340 1.00 0.00 C ATOM 124 OG1 THR A 9 85.661 20.648 5.154 1.00 0.00 O ATOM 125 CG2 THR A 9 85.186 18.893 6.727 1.00 0.00 C ATOM 0 H THR A 9 83.786 17.795 2.819 1.00 0.00 H new ATOM 0 HA THR A 9 86.248 18.613 3.875 1.00 0.00 H new ATOM 0 HB THR A 9 83.822 19.707 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 9 85.519 20.994 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 9 84.935 19.628 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 9 84.592 17.992 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 9 86.245 18.646 6.796 1.00 0.00 H new ATOM 133 N SER A 10 83.979 16.506 4.948 1.00 0.00 N ATOM 134 CA SER A 10 83.839 15.108 5.447 1.00 0.00 C ATOM 135 C SER A 10 82.363 14.760 5.660 1.00 0.00 C ATOM 136 O SER A 10 82.021 13.959 6.507 1.00 0.00 O ATOM 137 CB SER A 10 84.593 15.084 6.775 1.00 0.00 C ATOM 138 OG SER A 10 85.762 14.287 6.637 1.00 0.00 O ATOM 0 H SER A 10 83.100 16.998 4.786 1.00 0.00 H new ATOM 0 HA SER A 10 84.234 14.379 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.863 16.098 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 10 83.955 14.681 7.561 1.00 0.00 H new ATOM 0 HG SER A 10 86.361 14.697 5.979 1.00 0.00 H new ATOM 144 N LYS A 11 81.487 15.344 4.890 1.00 0.00 N ATOM 145 CA LYS A 11 80.038 15.033 5.044 1.00 0.00 C ATOM 146 C LYS A 11 79.613 14.052 3.953 1.00 0.00 C ATOM 147 O LYS A 11 79.186 12.948 4.229 1.00 0.00 O ATOM 148 CB LYS A 11 79.319 16.373 4.879 1.00 0.00 C ATOM 149 CG LYS A 11 78.304 16.551 6.009 1.00 0.00 C ATOM 150 CD LYS A 11 76.949 16.948 5.421 1.00 0.00 C ATOM 151 CE LYS A 11 75.888 16.927 6.523 1.00 0.00 C ATOM 152 NZ LYS A 11 74.626 17.345 5.850 1.00 0.00 N ATOM 0 H LYS A 11 81.711 16.022 4.162 1.00 0.00 H new ATOM 0 HA LYS A 11 79.805 14.574 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 11 80.041 17.189 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.814 16.410 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 11 78.209 15.625 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 78.649 17.316 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 11 77.010 17.943 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 11 76.672 16.260 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.792 15.933 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 11 76.147 17.608 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 73.850 17.355 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 74.745 18.297 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 74.401 16.675 5.087 1.00 0.00 H new ATOM 166 N LYS A 12 79.746 14.436 2.714 1.00 0.00 N ATOM 167 CA LYS A 12 79.370 13.513 1.610 1.00 0.00 C ATOM 168 C LYS A 12 80.535 12.567 1.319 1.00 0.00 C ATOM 169 O LYS A 12 80.521 11.817 0.364 1.00 0.00 O ATOM 170 CB LYS A 12 79.086 14.415 0.409 1.00 0.00 C ATOM 171 CG LYS A 12 78.034 15.457 0.790 1.00 0.00 C ATOM 172 CD LYS A 12 78.318 16.765 0.049 1.00 0.00 C ATOM 173 CE LYS A 12 77.177 17.057 -0.929 1.00 0.00 C ATOM 174 NZ LYS A 12 76.172 17.813 -0.131 1.00 0.00 N ATOM 0 H LYS A 12 80.098 15.347 2.420 1.00 0.00 H new ATOM 0 HA LYS A 12 78.505 12.896 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 12 80.003 14.909 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 12 78.734 13.818 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 77.038 15.093 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 12 78.048 15.626 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 12 78.419 17.584 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.263 16.692 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 12 77.526 17.641 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 12 76.753 16.135 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 75.358 18.050 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 75.853 17.229 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 76.602 18.688 0.230 1.00 0.00 H new ATOM 188 N VAL A 13 81.543 12.598 2.148 1.00 0.00 N ATOM 189 CA VAL A 13 82.713 11.703 1.941 1.00 0.00 C ATOM 190 C VAL A 13 82.556 10.447 2.798 1.00 0.00 C ATOM 191 O VAL A 13 83.034 9.384 2.456 1.00 0.00 O ATOM 192 CB VAL A 13 83.920 12.521 2.397 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.200 11.713 2.177 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.993 13.817 1.587 1.00 0.00 C ATOM 0 H VAL A 13 81.605 13.208 2.963 1.00 0.00 H new ATOM 0 HA VAL A 13 82.816 11.376 0.906 1.00 0.00 H new ATOM 0 HB VAL A 13 83.817 12.757 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 13 86.060 12.298 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.150 10.789 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.303 11.475 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.854 14.401 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.095 13.579 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.082 14.395 1.743 1.00 0.00 H new ATOM 204 N ARG A 14 81.881 10.563 3.909 1.00 0.00 N ATOM 205 CA ARG A 14 81.684 9.374 4.788 1.00 0.00 C ATOM 206 C ARG A 14 80.620 8.454 4.186 1.00 0.00 C ATOM 207 O ARG A 14 80.631 7.257 4.393 1.00 0.00 O ATOM 208 CB ARG A 14 81.213 9.942 6.127 1.00 0.00 C ATOM 209 CG ARG A 14 79.940 10.764 5.916 1.00 0.00 C ATOM 210 CD ARG A 14 78.733 9.981 6.434 1.00 0.00 C ATOM 211 NE ARG A 14 78.992 9.795 7.890 1.00 0.00 N ATOM 212 CZ ARG A 14 78.436 8.803 8.529 1.00 0.00 C ATOM 213 NH1 ARG A 14 77.186 8.881 8.896 1.00 0.00 N ATOM 214 NH2 ARG A 14 79.130 7.732 8.802 1.00 0.00 N ATOM 0 H ARG A 14 81.458 11.428 4.246 1.00 0.00 H new ATOM 0 HA ARG A 14 82.593 8.782 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.022 9.132 6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.993 10.566 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.020 11.717 6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.812 10.991 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 14 77.805 10.528 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 14 78.636 9.022 5.924 1.00 0.00 H new ATOM 0 HE ARG A 14 79.604 10.443 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 14 76.643 9.718 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 14 76.752 8.105 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 14 80.107 7.671 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 14 78.695 6.956 9.302 1.00 0.00 H new ATOM 228 N ALA A 15 79.701 9.003 3.440 1.00 0.00 N ATOM 229 CA ALA A 15 78.643 8.160 2.824 1.00 0.00 C ATOM 230 C ALA A 15 79.213 7.404 1.621 1.00 0.00 C ATOM 231 O ALA A 15 78.572 6.540 1.058 1.00 0.00 O ATOM 232 CB ALA A 15 77.562 9.144 2.379 1.00 0.00 C ATOM 0 H ALA A 15 79.639 10.000 3.232 1.00 0.00 H new ATOM 0 HA ALA A 15 78.251 7.413 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.742 8.598 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.188 9.690 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.984 9.848 1.661 1.00 0.00 H new ATOM 238 N ALA A 16 80.414 7.727 1.224 1.00 0.00 N ATOM 239 CA ALA A 16 81.027 7.032 0.057 1.00 0.00 C ATOM 240 C ALA A 16 81.313 5.569 0.399 1.00 0.00 C ATOM 241 O ALA A 16 81.340 4.714 -0.464 1.00 0.00 O ATOM 242 CB ALA A 16 82.331 7.784 -0.212 1.00 0.00 C ATOM 0 H ALA A 16 80.997 8.443 1.658 1.00 0.00 H new ATOM 0 HA ALA A 16 80.369 7.030 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.844 7.331 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.110 8.827 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.970 7.730 0.669 1.00 0.00 H new ATOM 248 N ARG A 17 81.527 5.271 1.651 1.00 0.00 N ATOM 249 CA ARG A 17 81.813 3.860 2.040 1.00 0.00 C ATOM 250 C ARG A 17 80.508 3.118 2.344 1.00 0.00 C ATOM 251 O ARG A 17 80.499 2.120 3.037 1.00 0.00 O ATOM 252 CB ARG A 17 82.680 3.961 3.295 1.00 0.00 C ATOM 253 CG ARG A 17 81.958 4.800 4.350 1.00 0.00 C ATOM 254 CD ARG A 17 82.834 5.993 4.739 1.00 0.00 C ATOM 255 NE ARG A 17 82.392 6.362 6.113 1.00 0.00 N ATOM 256 CZ ARG A 17 82.677 5.584 7.122 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.829 4.972 7.168 1.00 0.00 N ATOM 258 NH2 ARG A 17 81.810 5.418 8.083 1.00 0.00 N ATOM 0 H ARG A 17 81.516 5.941 2.420 1.00 0.00 H new ATOM 0 HA ARG A 17 82.313 3.307 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.888 2.965 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.641 4.414 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.002 5.149 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.742 4.192 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.891 5.729 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.702 6.823 4.045 1.00 0.00 H new ATOM 0 HE ARG A 17 81.867 7.223 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.506 5.102 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 17 84.052 4.364 7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 17 80.910 5.896 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 17 82.033 4.810 8.871 1.00 0.00 H new ATOM 272 N THR A 18 79.408 3.596 1.830 1.00 0.00 N ATOM 273 CA THR A 18 78.107 2.914 2.089 1.00 0.00 C ATOM 274 C THR A 18 77.134 3.176 0.936 1.00 0.00 C ATOM 275 O THR A 18 77.173 4.210 0.300 1.00 0.00 O ATOM 276 CB THR A 18 77.585 3.536 3.385 1.00 0.00 C ATOM 277 OG1 THR A 18 78.489 3.250 4.443 1.00 0.00 O ATOM 278 CG2 THR A 18 76.210 2.954 3.715 1.00 0.00 C ATOM 0 H THR A 18 79.353 4.428 1.243 1.00 0.00 H new ATOM 0 HA THR A 18 78.216 1.833 2.172 1.00 0.00 H new ATOM 0 HB THR A 18 77.499 4.616 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.157 3.649 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.839 3.398 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.517 3.174 2.903 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.292 1.874 3.839 1.00 0.00 H new ATOM 286 N LEU A 19 76.257 2.246 0.664 1.00 0.00 N ATOM 287 CA LEU A 19 75.279 2.443 -0.446 1.00 0.00 C ATOM 288 C LEU A 19 73.935 1.805 -0.089 1.00 0.00 C ATOM 289 O LEU A 19 73.844 0.975 0.795 1.00 0.00 O ATOM 290 CB LEU A 19 75.901 1.754 -1.662 1.00 0.00 C ATOM 291 CG LEU A 19 76.338 0.336 -1.292 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.367 -0.674 -1.904 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.745 0.084 -1.836 1.00 0.00 C ATOM 0 H LEU A 19 76.176 1.359 1.162 1.00 0.00 H new ATOM 0 HA LEU A 19 75.085 3.498 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.181 1.720 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.758 2.327 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 19 76.339 0.225 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.679 -1.685 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.363 -0.492 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.366 -0.566 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.061 -0.926 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.741 0.194 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.438 0.805 -1.401 1.00 0.00 H new ATOM 305 N LEU A 20 72.892 2.199 -0.764 1.00 0.00 N ATOM 306 CA LEU A 20 71.545 1.630 -0.464 1.00 0.00 C ATOM 307 C LEU A 20 71.144 0.603 -1.529 1.00 0.00 C ATOM 308 O LEU A 20 71.146 0.888 -2.709 1.00 0.00 O ATOM 309 CB LEU A 20 70.600 2.834 -0.501 1.00 0.00 C ATOM 310 CG LEU A 20 69.294 2.492 0.218 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.509 1.470 -0.606 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.604 1.906 1.597 1.00 0.00 C ATOM 0 H LEU A 20 72.912 2.892 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 20 71.520 1.112 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.073 3.693 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.394 3.114 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 20 68.699 3.398 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.578 1.227 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.284 1.889 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.104 0.565 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.672 1.663 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 70.201 1.001 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 20 70.160 2.635 2.186 1.00 0.00 H new ATOM 324 N ALA A 21 70.789 -0.587 -1.123 1.00 0.00 N ATOM 325 CA ALA A 21 70.379 -1.620 -2.116 1.00 0.00 C ATOM 326 C ALA A 21 68.889 -1.468 -2.434 1.00 0.00 C ATOM 327 O ALA A 21 68.100 -1.110 -1.583 1.00 0.00 O ATOM 328 CB ALA A 21 70.649 -2.960 -1.430 1.00 0.00 C ATOM 0 H ALA A 21 70.765 -0.887 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 21 70.921 -1.533 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.372 -3.774 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.708 -3.036 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.060 -3.026 -0.515 1.00 0.00 H new ATOM 334 N LYS A 22 68.495 -1.732 -3.649 1.00 0.00 N ATOM 335 CA LYS A 22 67.054 -1.593 -4.005 1.00 0.00 C ATOM 336 C LYS A 22 66.644 -2.684 -4.993 1.00 0.00 C ATOM 337 O LYS A 22 67.462 -3.434 -5.485 1.00 0.00 O ATOM 338 CB LYS A 22 66.935 -0.212 -4.651 1.00 0.00 C ATOM 339 CG LYS A 22 65.492 0.025 -5.100 1.00 0.00 C ATOM 340 CD LYS A 22 65.339 1.469 -5.586 1.00 0.00 C ATOM 341 CE LYS A 22 65.489 2.426 -4.402 1.00 0.00 C ATOM 342 NZ LYS A 22 64.250 3.253 -4.418 1.00 0.00 N ATOM 0 H LYS A 22 69.105 -2.037 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 22 66.404 -1.693 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.237 0.559 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.608 -0.140 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.230 -0.669 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.807 -0.167 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.091 1.690 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.365 1.604 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.588 1.881 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 22 66.379 3.046 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.278 3.935 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.186 3.765 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.420 2.636 -4.311 1.00 0.00 H new ATOM 356 N ASN A 23 65.378 -2.774 -5.286 1.00 0.00 N ATOM 357 CA ASN A 23 64.898 -3.814 -6.243 1.00 0.00 C ATOM 358 C ASN A 23 65.026 -5.208 -5.621 1.00 0.00 C ATOM 359 O ASN A 23 64.940 -6.211 -6.301 1.00 0.00 O ATOM 360 CB ASN A 23 65.807 -3.687 -7.467 1.00 0.00 C ATOM 361 CG ASN A 23 65.094 -4.254 -8.695 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.087 -3.727 -9.125 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.577 -5.316 -9.282 1.00 0.00 N ATOM 0 H ASN A 23 64.650 -2.170 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 23 63.848 -3.677 -6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.065 -2.641 -7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.741 -4.223 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.109 -5.703 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.422 -5.758 -8.921 1.00 0.00 H new ATOM 370 N LEU A 24 65.230 -5.278 -4.333 1.00 0.00 N ATOM 371 CA LEU A 24 65.359 -6.609 -3.673 1.00 0.00 C ATOM 372 C LEU A 24 63.994 -7.302 -3.621 1.00 0.00 C ATOM 373 O LEU A 24 62.962 -6.666 -3.692 1.00 0.00 O ATOM 374 CB LEU A 24 65.857 -6.308 -2.256 1.00 0.00 C ATOM 375 CG LEU A 24 67.368 -6.065 -2.274 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.068 -7.230 -2.974 1.00 0.00 C ATOM 377 CD2 LEU A 24 67.667 -4.765 -3.023 1.00 0.00 C ATOM 0 H LEU A 24 65.313 -4.474 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 24 66.038 -7.271 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.344 -5.432 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.622 -7.142 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 24 67.733 -5.987 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.144 -7.054 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.857 -8.156 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.703 -7.312 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.743 -4.592 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.300 -4.842 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.172 -3.934 -2.521 1.00 0.00 H new ATOM 389 N SER A 25 63.981 -8.601 -3.494 1.00 0.00 N ATOM 390 CA SER A 25 62.683 -9.330 -3.434 1.00 0.00 C ATOM 391 C SER A 25 62.249 -9.501 -1.976 1.00 0.00 C ATOM 392 O SER A 25 62.695 -8.788 -1.100 1.00 0.00 O ATOM 393 CB SER A 25 62.961 -10.689 -4.075 1.00 0.00 C ATOM 394 OG SER A 25 61.880 -11.569 -3.799 1.00 0.00 O ATOM 0 H SER A 25 64.813 -9.188 -3.429 1.00 0.00 H new ATOM 0 HA SER A 25 61.882 -8.797 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.088 -10.577 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.891 -11.104 -3.686 1.00 0.00 H new ATOM 0 HG SER A 25 62.055 -12.441 -4.210 1.00 0.00 H new ATOM 400 N PHE A 26 61.381 -10.436 -1.711 1.00 0.00 N ATOM 401 CA PHE A 26 60.917 -10.648 -0.319 1.00 0.00 C ATOM 402 C PHE A 26 61.782 -11.710 0.369 1.00 0.00 C ATOM 403 O PHE A 26 61.891 -11.745 1.579 1.00 0.00 O ATOM 404 CB PHE A 26 59.483 -11.136 -0.481 1.00 0.00 C ATOM 405 CG PHE A 26 58.553 -9.949 -0.548 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.761 -8.952 -1.508 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.482 -9.845 0.347 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.899 -7.851 -1.574 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.618 -8.744 0.282 1.00 0.00 C ATOM 410 CZ PHE A 26 56.828 -7.747 -0.679 1.00 0.00 C ATOM 0 H PHE A 26 60.973 -11.064 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 26 60.983 -9.751 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.391 -11.735 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.210 -11.779 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.587 -9.032 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.321 -10.614 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.060 -7.082 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.791 -8.664 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.163 -6.897 -0.729 1.00 0.00 H new ATOM 420 N ASN A 27 62.395 -12.572 -0.393 1.00 0.00 N ATOM 421 CA ASN A 27 63.250 -13.629 0.211 1.00 0.00 C ATOM 422 C ASN A 27 64.666 -13.093 0.442 1.00 0.00 C ATOM 423 O ASN A 27 65.355 -13.505 1.355 1.00 0.00 O ATOM 424 CB ASN A 27 63.266 -14.761 -0.816 1.00 0.00 C ATOM 425 CG ASN A 27 64.073 -15.939 -0.267 1.00 0.00 C ATOM 426 OD1 ASN A 27 64.588 -15.878 0.831 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.206 -17.018 -0.991 1.00 0.00 N ATOM 0 H ASN A 27 62.340 -12.589 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 27 62.874 -13.963 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.247 -15.078 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.704 -14.411 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.742 -17.809 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.774 -17.070 -1.913 1.00 0.00 H new ATOM 434 N ILE A 28 65.102 -12.178 -0.378 1.00 0.00 N ATOM 435 CA ILE A 28 66.473 -11.614 -0.209 1.00 0.00 C ATOM 436 C ILE A 28 66.657 -11.090 1.214 1.00 0.00 C ATOM 437 O ILE A 28 65.705 -10.732 1.879 1.00 0.00 O ATOM 438 CB ILE A 28 66.551 -10.472 -1.215 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.993 -9.981 -1.323 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.655 -9.320 -0.762 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.612 -10.515 -2.614 1.00 0.00 C ATOM 0 H ILE A 28 64.569 -11.795 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 28 67.252 -12.359 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 28 66.214 -10.830 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.020 -8.891 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.570 -10.319 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 28 65.715 -8.507 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.624 -9.667 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.986 -8.964 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.642 -10.167 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.598 -11.605 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.039 -10.155 -3.468 1.00 0.00 H new ATOM 453 N THR A 29 67.871 -11.042 1.689 1.00 0.00 N ATOM 454 CA THR A 29 68.104 -10.543 3.079 1.00 0.00 C ATOM 455 C THR A 29 69.571 -10.165 3.288 1.00 0.00 C ATOM 456 O THR A 29 70.406 -10.353 2.426 1.00 0.00 O ATOM 457 CB THR A 29 67.740 -11.721 3.984 1.00 0.00 C ATOM 458 OG1 THR A 29 68.238 -12.923 3.412 1.00 0.00 O ATOM 459 CG2 THR A 29 66.220 -11.815 4.133 1.00 0.00 C ATOM 0 H THR A 29 68.709 -11.324 1.180 1.00 0.00 H new ATOM 0 HA THR A 29 67.515 -9.650 3.289 1.00 0.00 H new ATOM 0 HB THR A 29 68.184 -11.571 4.968 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.008 -13.680 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.969 -12.656 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.840 -10.893 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.767 -11.962 3.153 1.00 0.00 H new ATOM 467 N GLU A 30 69.900 -9.649 4.440 1.00 0.00 N ATOM 468 CA GLU A 30 71.318 -9.289 4.701 1.00 0.00 C ATOM 469 C GLU A 30 72.190 -10.511 4.417 1.00 0.00 C ATOM 470 O GLU A 30 73.372 -10.403 4.159 1.00 0.00 O ATOM 471 CB GLU A 30 71.373 -8.912 6.182 1.00 0.00 C ATOM 472 CG GLU A 30 72.829 -8.895 6.652 1.00 0.00 C ATOM 473 CD GLU A 30 73.029 -9.951 7.741 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.658 -11.090 7.508 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.546 -9.602 8.789 1.00 0.00 O ATOM 0 H GLU A 30 69.252 -9.463 5.206 1.00 0.00 H new ATOM 0 HA GLU A 30 71.676 -8.470 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.919 -7.933 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.798 -9.626 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.495 -9.093 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.086 -7.908 7.037 1.00 0.00 H new ATOM 482 N ASP A 31 71.600 -11.677 4.449 1.00 0.00 N ATOM 483 CA ASP A 31 72.374 -12.916 4.169 1.00 0.00 C ATOM 484 C ASP A 31 72.919 -12.868 2.744 1.00 0.00 C ATOM 485 O ASP A 31 74.114 -12.805 2.526 1.00 0.00 O ATOM 486 CB ASP A 31 71.369 -14.059 4.323 1.00 0.00 C ATOM 487 CG ASP A 31 72.100 -15.398 4.227 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.310 -15.381 4.075 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.438 -16.420 4.308 1.00 0.00 O ATOM 0 H ASP A 31 70.612 -11.822 4.658 1.00 0.00 H new ATOM 0 HA ASP A 31 73.226 -13.038 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.857 -13.980 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.606 -13.993 3.548 1.00 0.00 H new ATOM 494 N GLU A 32 72.055 -12.883 1.768 1.00 0.00 N ATOM 495 CA GLU A 32 72.546 -12.823 0.364 1.00 0.00 C ATOM 496 C GLU A 32 73.254 -11.490 0.137 1.00 0.00 C ATOM 497 O GLU A 32 74.191 -11.391 -0.634 1.00 0.00 O ATOM 498 CB GLU A 32 71.311 -12.947 -0.526 1.00 0.00 C ATOM 499 CG GLU A 32 70.390 -11.765 -0.275 1.00 0.00 C ATOM 500 CD GLU A 32 70.906 -10.535 -1.022 1.00 0.00 C ATOM 501 OE1 GLU A 32 71.761 -10.699 -1.876 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.436 -9.451 -0.725 1.00 0.00 O ATOM 0 H GLU A 32 71.042 -12.934 1.879 1.00 0.00 H new ATOM 0 HA GLU A 32 73.258 -13.617 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 32 71.606 -12.976 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.789 -13.880 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.379 -12.004 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.335 -11.556 0.793 1.00 0.00 H new ATOM 509 N LEU A 33 72.833 -10.467 0.831 1.00 0.00 N ATOM 510 CA LEU A 33 73.498 -9.149 0.681 1.00 0.00 C ATOM 511 C LEU A 33 74.876 -9.246 1.316 1.00 0.00 C ATOM 512 O LEU A 33 75.837 -8.671 0.846 1.00 0.00 O ATOM 513 CB LEU A 33 72.616 -8.156 1.441 1.00 0.00 C ATOM 514 CG LEU A 33 71.712 -7.415 0.454 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.262 -7.496 0.932 1.00 0.00 C ATOM 516 CD2 LEU A 33 72.139 -5.948 0.376 1.00 0.00 C ATOM 0 H LEU A 33 72.058 -10.491 1.494 1.00 0.00 H new ATOM 0 HA LEU A 33 73.619 -8.839 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.011 -8.682 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.237 -7.445 1.986 1.00 0.00 H new ATOM 0 HG LEU A 33 71.797 -7.873 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.617 -6.968 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.956 -8.541 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.177 -7.037 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.496 -5.419 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.053 -5.491 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 73.173 -5.888 0.037 1.00 0.00 H new ATOM 528 N LYS A 34 74.977 -10.000 2.376 1.00 0.00 N ATOM 529 CA LYS A 34 76.292 -10.168 3.036 1.00 0.00 C ATOM 530 C LYS A 34 77.148 -11.102 2.191 1.00 0.00 C ATOM 531 O LYS A 34 78.362 -11.038 2.192 1.00 0.00 O ATOM 532 CB LYS A 34 75.988 -10.785 4.403 1.00 0.00 C ATOM 533 CG LYS A 34 77.288 -10.928 5.198 1.00 0.00 C ATOM 534 CD LYS A 34 77.108 -10.308 6.585 1.00 0.00 C ATOM 535 CE LYS A 34 76.125 -11.151 7.400 1.00 0.00 C ATOM 536 NZ LYS A 34 76.937 -12.282 7.929 1.00 0.00 N ATOM 0 H LYS A 34 74.204 -10.505 2.810 1.00 0.00 H new ATOM 0 HA LYS A 34 76.837 -9.230 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.283 -10.158 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.517 -11.760 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.557 -11.980 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.105 -10.436 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.068 -10.254 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.738 -9.287 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 75.683 -10.570 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 34 75.304 -11.510 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 76.415 -13.173 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 77.839 -12.333 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.125 -12.131 8.941 1.00 0.00 H new ATOM 550 N GLU A 35 76.507 -11.960 1.455 1.00 0.00 N ATOM 551 CA GLU A 35 77.245 -12.903 0.578 1.00 0.00 C ATOM 552 C GLU A 35 77.694 -12.174 -0.690 1.00 0.00 C ATOM 553 O GLU A 35 78.728 -12.466 -1.257 1.00 0.00 O ATOM 554 CB GLU A 35 76.241 -14.006 0.239 1.00 0.00 C ATOM 555 CG GLU A 35 76.948 -15.363 0.256 1.00 0.00 C ATOM 556 CD GLU A 35 75.944 -16.457 0.623 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.862 -16.456 0.058 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.274 -17.279 1.463 1.00 0.00 O ATOM 0 H GLU A 35 75.491 -12.049 1.423 1.00 0.00 H new ATOM 0 HA GLU A 35 78.137 -13.308 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.423 -14.001 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.803 -13.825 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.386 -15.569 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.767 -15.350 0.976 1.00 0.00 H new ATOM 565 N VAL A 36 76.926 -11.211 -1.126 1.00 0.00 N ATOM 566 CA VAL A 36 77.307 -10.445 -2.343 1.00 0.00 C ATOM 567 C VAL A 36 78.277 -9.332 -1.947 1.00 0.00 C ATOM 568 O VAL A 36 79.201 -9.009 -2.666 1.00 0.00 O ATOM 569 CB VAL A 36 75.995 -9.856 -2.871 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.291 -8.668 -3.791 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.236 -10.926 -3.658 1.00 0.00 C ATOM 0 H VAL A 36 76.050 -10.923 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 36 77.799 -11.060 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 36 75.390 -9.519 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.354 -8.254 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.831 -7.902 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.899 -9.002 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.302 -10.507 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.846 -11.263 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.018 -11.771 -3.005 1.00 0.00 H new ATOM 581 N PHE A 37 78.066 -8.745 -0.801 1.00 0.00 N ATOM 582 CA PHE A 37 78.960 -7.657 -0.344 1.00 0.00 C ATOM 583 C PHE A 37 79.883 -8.164 0.767 1.00 0.00 C ATOM 584 O PHE A 37 80.130 -7.483 1.742 1.00 0.00 O ATOM 585 CB PHE A 37 78.009 -6.591 0.188 1.00 0.00 C ATOM 586 CG PHE A 37 77.459 -5.788 -0.965 1.00 0.00 C ATOM 587 CD1 PHE A 37 78.322 -5.300 -1.954 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.085 -5.537 -1.049 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.810 -4.560 -3.026 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.574 -4.798 -2.122 1.00 0.00 C ATOM 591 CZ PHE A 37 76.436 -4.309 -3.110 1.00 0.00 C ATOM 0 H PHE A 37 77.306 -8.978 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 37 79.606 -7.278 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.194 -7.058 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.533 -5.936 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 37 79.382 -5.495 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.419 -5.913 -0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 37 78.475 -4.183 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.513 -4.605 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 37 76.041 -3.738 -3.937 1.00 0.00 H new ATOM 601 N GLU A 38 80.390 -9.359 0.628 1.00 0.00 N ATOM 602 CA GLU A 38 81.293 -9.915 1.675 1.00 0.00 C ATOM 603 C GLU A 38 82.377 -8.898 2.043 1.00 0.00 C ATOM 604 O GLU A 38 82.967 -8.964 3.104 1.00 0.00 O ATOM 605 CB GLU A 38 81.918 -11.156 1.037 1.00 0.00 C ATOM 606 CG GLU A 38 81.272 -12.413 1.623 1.00 0.00 C ATOM 607 CD GLU A 38 82.181 -13.618 1.374 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.079 -13.832 2.171 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.962 -14.307 0.392 1.00 0.00 O ATOM 0 H GLU A 38 80.217 -9.975 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 38 80.759 -10.151 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.777 -11.132 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.993 -11.169 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.106 -12.284 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.296 -12.580 1.167 1.00 0.00 H new ATOM 616 N ASP A 39 82.647 -7.960 1.177 1.00 0.00 N ATOM 617 CA ASP A 39 83.695 -6.945 1.482 1.00 0.00 C ATOM 618 C ASP A 39 83.098 -5.781 2.278 1.00 0.00 C ATOM 619 O ASP A 39 83.809 -4.942 2.795 1.00 0.00 O ATOM 620 CB ASP A 39 84.188 -6.463 0.117 1.00 0.00 C ATOM 621 CG ASP A 39 85.419 -5.575 0.303 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.242 -4.395 0.555 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.520 -6.090 0.190 1.00 0.00 O ATOM 0 H ASP A 39 82.188 -7.853 0.273 1.00 0.00 H new ATOM 0 HA ASP A 39 84.502 -7.358 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.434 -7.317 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.399 -5.908 -0.391 1.00 0.00 H new ATOM 628 N ALA A 40 81.798 -5.721 2.381 1.00 0.00 N ATOM 629 CA ALA A 40 81.165 -4.606 3.142 1.00 0.00 C ATOM 630 C ALA A 40 81.168 -4.916 4.642 1.00 0.00 C ATOM 631 O ALA A 40 81.255 -6.057 5.050 1.00 0.00 O ATOM 632 CB ALA A 40 79.732 -4.529 2.614 1.00 0.00 C ATOM 0 H ALA A 40 81.149 -6.393 1.973 1.00 0.00 H new ATOM 0 HA ALA A 40 81.699 -3.665 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.198 -3.729 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.749 -4.326 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.226 -5.477 2.795 1.00 0.00 H new ATOM 638 N LEU A 41 81.066 -3.908 5.469 1.00 0.00 N ATOM 639 CA LEU A 41 81.055 -4.147 6.936 1.00 0.00 C ATOM 640 C LEU A 41 79.745 -4.812 7.335 1.00 0.00 C ATOM 641 O LEU A 41 79.709 -5.714 8.147 1.00 0.00 O ATOM 642 CB LEU A 41 81.145 -2.762 7.574 1.00 0.00 C ATOM 643 CG LEU A 41 82.352 -2.009 7.021 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.140 -0.508 7.221 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.610 -2.453 7.766 1.00 0.00 C ATOM 0 H LEU A 41 80.990 -2.930 5.188 1.00 0.00 H new ATOM 0 HA LEU A 41 81.872 -4.796 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.233 -2.200 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.230 -2.856 8.657 1.00 0.00 H new ATOM 0 HG LEU A 41 82.467 -2.223 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.999 0.036 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.239 -0.194 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.031 -0.294 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.474 -1.917 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.500 -2.235 8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.755 -3.525 7.629 1.00 0.00 H new ATOM 657 N GLU A 42 78.663 -4.362 6.767 1.00 0.00 N ATOM 658 CA GLU A 42 77.343 -4.956 7.111 1.00 0.00 C ATOM 659 C GLU A 42 76.247 -4.388 6.207 1.00 0.00 C ATOM 660 O GLU A 42 76.417 -3.366 5.567 1.00 0.00 O ATOM 661 CB GLU A 42 77.105 -4.563 8.569 1.00 0.00 C ATOM 662 CG GLU A 42 76.824 -3.061 8.658 1.00 0.00 C ATOM 663 CD GLU A 42 76.241 -2.730 10.033 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.299 -3.394 10.432 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.746 -1.815 10.664 1.00 0.00 O ATOM 0 H GLU A 42 78.635 -3.609 6.080 1.00 0.00 H new ATOM 0 HA GLU A 42 77.327 -6.037 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.264 -5.125 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.978 -4.816 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.743 -2.498 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 42 76.127 -2.764 7.875 1.00 0.00 H new ATOM 672 N ILE A 43 75.124 -5.048 6.149 1.00 0.00 N ATOM 673 CA ILE A 43 74.011 -4.562 5.288 1.00 0.00 C ATOM 674 C ILE A 43 72.700 -4.556 6.074 1.00 0.00 C ATOM 675 O ILE A 43 72.504 -5.340 6.981 1.00 0.00 O ATOM 676 CB ILE A 43 73.941 -5.567 4.141 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.218 -5.466 3.305 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.728 -5.260 3.262 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.406 -6.749 2.494 1.00 0.00 C ATOM 0 H ILE A 43 74.929 -5.907 6.663 1.00 0.00 H new ATOM 0 HA ILE A 43 74.173 -3.544 4.934 1.00 0.00 H new ATOM 0 HB ILE A 43 73.846 -6.575 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.160 -4.607 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.078 -5.306 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.680 -5.979 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.819 -5.329 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.819 -4.253 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.317 -6.674 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.484 -7.599 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.551 -6.890 1.832 1.00 0.00 H new ATOM 691 N ARG A 44 71.799 -3.676 5.734 1.00 0.00 N ATOM 692 CA ARG A 44 70.507 -3.619 6.458 1.00 0.00 C ATOM 693 C ARG A 44 69.357 -3.819 5.460 1.00 0.00 C ATOM 694 O ARG A 44 69.517 -3.638 4.270 1.00 0.00 O ATOM 695 CB ARG A 44 70.490 -2.216 7.083 1.00 0.00 C ATOM 696 CG ARG A 44 69.071 -1.646 7.072 1.00 0.00 C ATOM 697 CD ARG A 44 68.939 -0.570 8.152 1.00 0.00 C ATOM 698 NE ARG A 44 67.958 -1.124 9.126 1.00 0.00 N ATOM 699 CZ ARG A 44 67.673 -0.462 10.214 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.634 -0.011 10.974 1.00 0.00 N ATOM 701 NH2 ARG A 44 66.428 -0.251 10.542 1.00 0.00 N ATOM 0 H ARG A 44 71.906 -2.994 4.983 1.00 0.00 H new ATOM 0 HA ARG A 44 70.391 -4.392 7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.863 -2.262 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.158 -1.556 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 44 68.847 -1.222 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.348 -2.442 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.898 -0.369 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 44 68.588 0.372 7.731 1.00 0.00 H new ATOM 0 HE ARG A 44 67.509 -2.021 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 44 69.607 -0.176 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.411 0.506 11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.677 -0.603 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 44 66.205 0.266 11.392 1.00 0.00 H new ATOM 715 N LEU A 45 68.200 -4.184 5.939 1.00 0.00 N ATOM 716 CA LEU A 45 67.047 -4.389 5.021 1.00 0.00 C ATOM 717 C LEU A 45 66.112 -3.183 5.089 1.00 0.00 C ATOM 718 O LEU A 45 66.103 -2.449 6.057 1.00 0.00 O ATOM 719 CB LEU A 45 66.343 -5.644 5.537 1.00 0.00 C ATOM 720 CG LEU A 45 66.097 -6.606 4.372 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.087 -5.989 3.404 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.416 -6.860 3.638 1.00 0.00 C ATOM 0 H LEU A 45 68.004 -4.349 6.926 1.00 0.00 H new ATOM 0 HA LEU A 45 67.357 -4.500 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.952 -6.128 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.397 -5.376 6.007 1.00 0.00 H new ATOM 0 HG LEU A 45 65.703 -7.548 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 45 64.912 -6.674 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.148 -5.805 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.479 -5.047 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.244 -7.545 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.807 -5.917 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.137 -7.299 4.327 1.00 0.00 H new ATOM 734 N VAL A 46 65.328 -2.967 4.074 1.00 0.00 N ATOM 735 CA VAL A 46 64.405 -1.803 4.095 1.00 0.00 C ATOM 736 C VAL A 46 63.155 -2.089 3.257 1.00 0.00 C ATOM 737 O VAL A 46 63.231 -2.496 2.105 1.00 0.00 O ATOM 738 CB VAL A 46 65.213 -0.650 3.509 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.334 0.597 3.424 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.414 -0.369 4.415 1.00 0.00 C ATOM 0 H VAL A 46 65.286 -3.544 3.234 1.00 0.00 H new ATOM 0 HA VAL A 46 64.049 -1.575 5.100 1.00 0.00 H new ATOM 0 HB VAL A 46 65.561 -0.914 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.911 1.421 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.475 0.394 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.988 0.867 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.997 0.455 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.063 -0.101 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.039 -1.260 4.477 1.00 0.00 H new ATOM 750 N SER A 47 62.007 -1.881 3.844 1.00 0.00 N ATOM 751 CA SER A 47 60.727 -2.135 3.128 1.00 0.00 C ATOM 752 C SER A 47 59.853 -0.877 3.137 1.00 0.00 C ATOM 753 O SER A 47 60.344 0.233 3.186 1.00 0.00 O ATOM 754 CB SER A 47 60.059 -3.251 3.926 1.00 0.00 C ATOM 755 OG SER A 47 59.091 -2.690 4.802 1.00 0.00 O ATOM 0 H SER A 47 61.902 -1.542 4.800 1.00 0.00 H new ATOM 0 HA SER A 47 60.881 -2.405 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.585 -3.963 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.806 -3.802 4.497 1.00 0.00 H new ATOM 0 HG SER A 47 59.122 -3.155 5.664 1.00 0.00 H new ATOM 761 N GLN A 48 58.560 -1.045 3.091 1.00 0.00 N ATOM 762 CA GLN A 48 57.652 0.137 3.098 1.00 0.00 C ATOM 763 C GLN A 48 57.223 0.466 4.531 1.00 0.00 C ATOM 764 O GLN A 48 56.095 0.842 4.780 1.00 0.00 O ATOM 765 CB GLN A 48 56.445 -0.285 2.260 1.00 0.00 C ATOM 766 CG GLN A 48 55.695 -1.409 2.977 1.00 0.00 C ATOM 767 CD GLN A 48 54.257 -0.967 3.253 1.00 0.00 C ATOM 768 OE1 GLN A 48 53.374 -1.193 2.450 1.00 0.00 O ATOM 769 NE2 GLN A 48 53.982 -0.343 4.367 1.00 0.00 N ATOM 0 H GLN A 48 58.092 -1.951 3.049 1.00 0.00 H new ATOM 0 HA GLN A 48 58.133 1.030 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 48 55.783 0.566 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.772 -0.621 1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.698 -2.311 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.197 -1.656 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 48 54.723 -0.153 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 48 53.026 -0.046 4.562 1.00 0.00 H new ATOM 778 N ASP A 49 58.114 0.327 5.474 1.00 0.00 N ATOM 779 CA ASP A 49 57.761 0.633 6.892 1.00 0.00 C ATOM 780 C ASP A 49 56.765 -0.400 7.430 1.00 0.00 C ATOM 781 O ASP A 49 56.269 -0.280 8.532 1.00 0.00 O ATOM 782 CB ASP A 49 57.125 2.023 6.855 1.00 0.00 C ATOM 783 CG ASP A 49 57.532 2.805 8.105 1.00 0.00 C ATOM 784 OD1 ASP A 49 57.569 2.208 9.168 1.00 0.00 O ATOM 785 OD2 ASP A 49 57.800 3.989 7.978 1.00 0.00 O ATOM 0 H ASP A 49 59.073 0.014 5.325 1.00 0.00 H new ATOM 0 HA ASP A 49 58.632 0.601 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 49 57.444 2.557 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 49 56.040 1.937 6.805 1.00 0.00 H new ATOM 790 N GLY A 50 56.468 -1.414 6.663 1.00 0.00 N ATOM 791 CA GLY A 50 55.504 -2.447 7.141 1.00 0.00 C ATOM 792 C GLY A 50 55.242 -3.466 6.030 1.00 0.00 C ATOM 793 O GLY A 50 54.159 -4.003 5.912 1.00 0.00 O ATOM 0 H GLY A 50 56.849 -1.572 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 50 55.903 -2.950 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.569 -1.974 7.441 1.00 0.00 H new ATOM 797 N LYS A 51 56.224 -3.740 5.215 1.00 0.00 N ATOM 798 CA LYS A 51 56.027 -4.725 4.114 1.00 0.00 C ATOM 799 C LYS A 51 57.244 -4.713 3.190 1.00 0.00 C ATOM 800 O LYS A 51 57.609 -3.685 2.656 1.00 0.00 O ATOM 801 CB LYS A 51 54.780 -4.248 3.369 1.00 0.00 C ATOM 802 CG LYS A 51 53.668 -5.288 3.514 1.00 0.00 C ATOM 803 CD LYS A 51 53.507 -6.052 2.199 1.00 0.00 C ATOM 804 CE LYS A 51 52.470 -7.163 2.376 1.00 0.00 C ATOM 805 NZ LYS A 51 53.241 -8.330 2.889 1.00 0.00 N ATOM 0 H LYS A 51 57.154 -3.324 5.264 1.00 0.00 H new ATOM 0 HA LYS A 51 55.910 -5.745 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.450 -3.289 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.011 -4.092 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 53.906 -5.980 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 51 52.731 -4.799 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.194 -5.371 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.463 -6.478 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 51 51.689 -6.867 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.978 -7.399 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.598 -9.134 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 53.972 -8.594 2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 53.692 -8.078 3.792 1.00 0.00 H new ATOM 819 N SER A 52 57.873 -5.846 3.005 1.00 0.00 N ATOM 820 CA SER A 52 59.073 -5.906 2.122 1.00 0.00 C ATOM 821 C SER A 52 58.897 -4.987 0.915 1.00 0.00 C ATOM 822 O SER A 52 57.918 -5.060 0.200 1.00 0.00 O ATOM 823 CB SER A 52 59.166 -7.357 1.674 1.00 0.00 C ATOM 824 OG SER A 52 60.534 -7.729 1.561 1.00 0.00 O ATOM 0 H SER A 52 57.605 -6.734 3.430 1.00 0.00 H new ATOM 0 HA SER A 52 59.975 -5.579 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.660 -8.004 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.662 -7.487 0.716 1.00 0.00 H new ATOM 0 HG SER A 52 60.722 -8.474 2.169 1.00 0.00 H new ATOM 830 N LYS A 53 59.842 -4.126 0.689 1.00 0.00 N ATOM 831 CA LYS A 53 59.746 -3.195 -0.470 1.00 0.00 C ATOM 832 C LYS A 53 60.889 -3.471 -1.441 1.00 0.00 C ATOM 833 O LYS A 53 60.845 -3.097 -2.596 1.00 0.00 O ATOM 834 CB LYS A 53 59.874 -1.795 0.131 1.00 0.00 C ATOM 835 CG LYS A 53 59.362 -0.760 -0.870 1.00 0.00 C ATOM 836 CD LYS A 53 57.904 -1.065 -1.218 1.00 0.00 C ATOM 837 CE LYS A 53 57.036 0.156 -0.903 1.00 0.00 C ATOM 838 NZ LYS A 53 56.724 0.758 -2.228 1.00 0.00 N ATOM 0 H LYS A 53 60.682 -4.024 1.258 1.00 0.00 H new ATOM 0 HA LYS A 53 58.814 -3.309 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.304 -1.732 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.915 -1.590 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.444 0.242 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.974 -0.777 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 53 57.818 -1.323 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.556 -1.928 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 53 56.126 -0.132 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 53 57.565 0.862 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.131 1.602 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 57.609 1.028 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.214 0.065 -2.813 1.00 0.00 H new ATOM 852 N GLY A 54 61.912 -4.129 -0.976 1.00 0.00 N ATOM 853 CA GLY A 54 63.061 -4.440 -1.864 1.00 0.00 C ATOM 854 C GLY A 54 64.190 -3.438 -1.620 1.00 0.00 C ATOM 855 O GLY A 54 64.994 -3.180 -2.494 1.00 0.00 O ATOM 0 H GLY A 54 62.001 -4.465 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.415 -5.454 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.747 -4.401 -2.907 1.00 0.00 H new ATOM 859 N ILE A 55 64.270 -2.871 -0.445 1.00 0.00 N ATOM 860 CA ILE A 55 65.364 -1.896 -0.181 1.00 0.00 C ATOM 861 C ILE A 55 66.275 -2.431 0.926 1.00 0.00 C ATOM 862 O ILE A 55 65.868 -3.241 1.735 1.00 0.00 O ATOM 863 CB ILE A 55 64.654 -0.616 0.258 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.511 -0.311 -0.713 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.648 0.545 0.251 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.088 0.119 -2.063 1.00 0.00 C ATOM 0 H ILE A 55 63.633 -3.039 0.334 1.00 0.00 H new ATOM 0 HA ILE A 55 65.995 -1.722 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 55 64.254 -0.748 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.882 -1.192 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.877 0.478 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.143 1.459 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.465 0.328 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.046 0.677 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.274 0.336 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.699 1.012 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.703 -0.684 -2.468 1.00 0.00 H new ATOM 878 N ALA A 56 67.505 -1.994 0.972 1.00 0.00 N ATOM 879 CA ALA A 56 68.427 -2.491 2.031 1.00 0.00 C ATOM 880 C ALA A 56 69.642 -1.568 2.152 1.00 0.00 C ATOM 881 O ALA A 56 70.177 -1.101 1.167 1.00 0.00 O ATOM 882 CB ALA A 56 68.856 -3.881 1.560 1.00 0.00 C ATOM 0 H ALA A 56 67.909 -1.317 0.325 1.00 0.00 H new ATOM 0 HA ALA A 56 67.952 -2.520 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.539 -4.317 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 56 67.977 -4.518 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.357 -3.800 0.596 1.00 0.00 H new ATOM 888 N TYR A 57 70.086 -1.304 3.351 1.00 0.00 N ATOM 889 CA TYR A 57 71.270 -0.416 3.522 1.00 0.00 C ATOM 890 C TYR A 57 72.551 -1.244 3.432 1.00 0.00 C ATOM 891 O TYR A 57 72.587 -2.393 3.826 1.00 0.00 O ATOM 892 CB TYR A 57 71.118 0.203 4.911 1.00 0.00 C ATOM 893 CG TYR A 57 70.804 1.674 4.772 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.833 2.586 4.506 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.485 2.124 4.904 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.542 3.949 4.374 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.195 3.487 4.773 1.00 0.00 C ATOM 898 CZ TYR A 57 70.223 4.399 4.507 1.00 0.00 C ATOM 899 OH TYR A 57 69.936 5.743 4.377 1.00 0.00 O ATOM 0 H TYR A 57 69.682 -1.663 4.216 1.00 0.00 H new ATOM 0 HA TYR A 57 71.329 0.352 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.322 -0.300 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.035 0.068 5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.850 2.238 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.692 1.420 5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.335 4.653 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.178 3.835 4.877 1.00 0.00 H new ATOM 0 HH TYR A 57 68.974 5.885 4.497 1.00 0.00 H new ATOM 909 N ILE A 58 73.599 -0.678 2.906 1.00 0.00 N ATOM 910 CA ILE A 58 74.870 -1.446 2.779 1.00 0.00 C ATOM 911 C ILE A 58 76.065 -0.540 3.087 1.00 0.00 C ATOM 912 O ILE A 58 76.292 0.449 2.418 1.00 0.00 O ATOM 913 CB ILE A 58 74.890 -1.907 1.319 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.503 -2.433 0.935 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.918 -3.024 1.142 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.548 -3.019 -0.476 1.00 0.00 C ATOM 0 H ILE A 58 73.632 0.281 2.559 1.00 0.00 H new ATOM 0 HA ILE A 58 74.932 -2.284 3.473 1.00 0.00 H new ATOM 0 HB ILE A 58 75.157 -1.065 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.183 -3.195 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.772 -1.626 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 58 75.928 -3.348 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.906 -2.656 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.654 -3.866 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.560 -3.392 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.849 -2.245 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.267 -3.838 -0.507 1.00 0.00 H new ATOM 928 N GLU A 59 76.829 -0.863 4.096 1.00 0.00 N ATOM 929 CA GLU A 59 78.003 -0.007 4.440 1.00 0.00 C ATOM 930 C GLU A 59 79.303 -0.801 4.283 1.00 0.00 C ATOM 931 O GLU A 59 79.420 -1.919 4.744 1.00 0.00 O ATOM 932 CB GLU A 59 77.796 0.414 5.901 1.00 0.00 C ATOM 933 CG GLU A 59 77.131 -0.715 6.697 1.00 0.00 C ATOM 934 CD GLU A 59 77.035 -0.309 8.169 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.068 -0.241 8.814 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.931 -0.075 8.628 1.00 0.00 O ATOM 0 H GLU A 59 76.693 -1.678 4.694 1.00 0.00 H new ATOM 0 HA GLU A 59 78.080 0.860 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.755 0.668 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.177 1.310 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.137 -0.919 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.709 -1.634 6.598 1.00 0.00 H new ATOM 943 N PHE A 60 80.280 -0.232 3.628 1.00 0.00 N ATOM 944 CA PHE A 60 81.569 -0.955 3.437 1.00 0.00 C ATOM 945 C PHE A 60 82.666 -0.340 4.305 1.00 0.00 C ATOM 946 O PHE A 60 82.469 0.663 4.963 1.00 0.00 O ATOM 947 CB PHE A 60 81.908 -0.784 1.959 1.00 0.00 C ATOM 948 CG PHE A 60 80.844 -1.446 1.119 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.548 -0.920 1.087 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.155 -2.588 0.371 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.562 -1.536 0.308 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.168 -3.204 -0.408 1.00 0.00 C ATOM 953 CZ PHE A 60 78.871 -2.677 -0.440 1.00 0.00 C ATOM 0 H PHE A 60 80.240 0.701 3.218 1.00 0.00 H new ATOM 0 HA PHE A 60 81.490 -2.004 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.976 0.275 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.882 -1.225 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.308 -0.039 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.156 -2.994 0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.561 -1.130 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.407 -4.086 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.110 -3.151 -1.042 1.00 0.00 H new ATOM 963 N LYS A 61 83.824 -0.937 4.303 1.00 0.00 N ATOM 964 CA LYS A 61 84.948 -0.398 5.121 1.00 0.00 C ATOM 965 C LYS A 61 85.346 0.991 4.621 1.00 0.00 C ATOM 966 O LYS A 61 85.913 1.784 5.345 1.00 0.00 O ATOM 967 CB LYS A 61 86.096 -1.389 4.922 1.00 0.00 C ATOM 968 CG LYS A 61 86.735 -1.708 6.275 1.00 0.00 C ATOM 969 CD LYS A 61 88.065 -2.430 6.055 1.00 0.00 C ATOM 970 CE LYS A 61 89.012 -2.125 7.218 1.00 0.00 C ATOM 971 NZ LYS A 61 90.349 -1.942 6.588 1.00 0.00 N ATOM 0 H LYS A 61 84.042 -1.778 3.769 1.00 0.00 H new ATOM 0 HA LYS A 61 84.679 -0.293 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.725 -2.303 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.841 -0.968 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.897 -0.789 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.065 -2.331 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.899 -3.505 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.513 -2.110 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.702 -1.228 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.025 -2.941 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.053 -1.729 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.621 -2.814 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.308 -1.155 5.910 1.00 0.00 H new ATOM 985 N SER A 62 85.050 1.290 3.387 1.00 0.00 N ATOM 986 CA SER A 62 85.409 2.629 2.840 1.00 0.00 C ATOM 987 C SER A 62 84.761 2.832 1.469 1.00 0.00 C ATOM 988 O SER A 62 84.017 1.997 0.988 1.00 0.00 O ATOM 989 CB SER A 62 86.930 2.613 2.713 1.00 0.00 C ATOM 990 OG SER A 62 87.339 3.666 1.850 1.00 0.00 O ATOM 0 H SER A 62 84.576 0.666 2.734 1.00 0.00 H new ATOM 0 HA SER A 62 85.062 3.440 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.390 2.732 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.264 1.653 2.319 1.00 0.00 H new ATOM 0 HG SER A 62 88.315 3.660 1.767 1.00 0.00 H new ATOM 996 N GLU A 63 85.039 3.938 0.836 1.00 0.00 N ATOM 997 CA GLU A 63 84.441 4.201 -0.503 1.00 0.00 C ATOM 998 C GLU A 63 84.954 3.179 -1.519 1.00 0.00 C ATOM 999 O GLU A 63 84.205 2.659 -2.321 1.00 0.00 O ATOM 1000 CB GLU A 63 84.905 5.609 -0.876 1.00 0.00 C ATOM 1001 CG GLU A 63 84.634 5.861 -2.361 1.00 0.00 C ATOM 1002 CD GLU A 63 85.949 5.789 -3.139 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.975 6.107 -2.561 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.907 5.417 -4.301 1.00 0.00 O ATOM 0 H GLU A 63 85.655 4.671 1.188 1.00 0.00 H new ATOM 0 HA GLU A 63 83.354 4.121 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.381 6.348 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.969 5.720 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.932 5.121 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.172 6.839 -2.496 1.00 0.00 H new ATOM 1011 N ALA A 64 86.224 2.885 -1.491 1.00 0.00 N ATOM 1012 CA ALA A 64 86.776 1.895 -2.453 1.00 0.00 C ATOM 1013 C ALA A 64 86.104 0.542 -2.243 1.00 0.00 C ATOM 1014 O ALA A 64 85.852 -0.192 -3.178 1.00 0.00 O ATOM 1015 CB ALA A 64 88.269 1.815 -2.136 1.00 0.00 C ATOM 0 H ALA A 64 86.902 3.288 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 64 86.603 2.181 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.746 1.101 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.722 2.797 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.405 1.489 -1.105 1.00 0.00 H new ATOM 1021 N ASP A 65 85.795 0.210 -1.020 1.00 0.00 N ATOM 1022 CA ASP A 65 85.120 -1.088 -0.755 1.00 0.00 C ATOM 1023 C ASP A 65 83.687 -1.017 -1.275 1.00 0.00 C ATOM 1024 O ASP A 65 83.260 -1.827 -2.075 1.00 0.00 O ATOM 1025 CB ASP A 65 85.137 -1.248 0.765 1.00 0.00 C ATOM 1026 CG ASP A 65 86.554 -1.597 1.226 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.863 -2.775 1.286 1.00 0.00 O ATOM 1028 OD2 ASP A 65 87.305 -0.679 1.512 1.00 0.00 O ATOM 0 H ASP A 65 85.981 0.781 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 65 85.609 -1.929 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.805 -0.326 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.442 -2.031 1.067 1.00 0.00 H new ATOM 1033 N ALA A 66 82.947 -0.036 -0.837 1.00 0.00 N ATOM 1034 CA ALA A 66 81.543 0.108 -1.314 1.00 0.00 C ATOM 1035 C ALA A 66 81.531 0.432 -2.810 1.00 0.00 C ATOM 1036 O ALA A 66 80.632 0.050 -3.531 1.00 0.00 O ATOM 1037 CB ALA A 66 80.968 1.271 -0.506 1.00 0.00 C ATOM 0 H ALA A 66 83.254 0.672 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 66 80.962 -0.804 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.932 1.441 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.009 1.031 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.552 2.171 -0.698 1.00 0.00 H new ATOM 1043 N GLU A 67 82.528 1.133 -3.283 1.00 0.00 N ATOM 1044 CA GLU A 67 82.574 1.478 -4.729 1.00 0.00 C ATOM 1045 C GLU A 67 83.029 0.265 -5.544 1.00 0.00 C ATOM 1046 O GLU A 67 82.443 -0.074 -6.554 1.00 0.00 O ATOM 1047 CB GLU A 67 83.596 2.611 -4.834 1.00 0.00 C ATOM 1048 CG GLU A 67 83.823 2.959 -6.307 1.00 0.00 C ATOM 1049 CD GLU A 67 83.183 4.313 -6.615 1.00 0.00 C ATOM 1050 OE1 GLU A 67 83.759 5.319 -6.234 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.128 4.322 -7.228 1.00 0.00 O ATOM 0 H GLU A 67 83.311 1.480 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 67 81.599 1.774 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.240 3.488 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.536 2.311 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.891 2.992 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.392 2.187 -6.945 1.00 0.00 H new ATOM 1058 N LYS A 68 84.068 -0.395 -5.106 1.00 0.00 N ATOM 1059 CA LYS A 68 84.559 -1.587 -5.850 1.00 0.00 C ATOM 1060 C LYS A 68 83.480 -2.667 -5.859 1.00 0.00 C ATOM 1061 O LYS A 68 83.232 -3.303 -6.863 1.00 0.00 O ATOM 1062 CB LYS A 68 85.790 -2.061 -5.078 1.00 0.00 C ATOM 1063 CG LYS A 68 86.229 -3.428 -5.605 1.00 0.00 C ATOM 1064 CD LYS A 68 85.578 -4.532 -4.768 1.00 0.00 C ATOM 1065 CE LYS A 68 86.262 -5.868 -5.065 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.663 -5.697 -4.589 1.00 0.00 N ATOM 0 H LYS A 68 84.596 -0.159 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 68 84.799 -1.362 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.600 -1.340 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.562 -2.126 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.944 -3.535 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.315 -3.515 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.662 -4.296 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.514 -4.597 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.766 -6.689 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.232 -6.099 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.010 -6.597 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 88.267 -5.408 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.692 -4.966 -3.849 1.00 0.00 H new ATOM 1080 N ASN A 69 82.831 -2.875 -4.746 1.00 0.00 N ATOM 1081 CA ASN A 69 81.763 -3.910 -4.695 1.00 0.00 C ATOM 1082 C ASN A 69 80.514 -3.404 -5.418 1.00 0.00 C ATOM 1083 O ASN A 69 79.945 -4.082 -6.251 1.00 0.00 O ATOM 1084 CB ASN A 69 81.479 -4.111 -3.207 1.00 0.00 C ATOM 1085 CG ASN A 69 82.179 -5.380 -2.721 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.535 -6.363 -2.411 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.481 -5.402 -2.642 1.00 0.00 N ATOM 0 H ASN A 69 82.994 -2.374 -3.873 1.00 0.00 H new ATOM 0 HA ASN A 69 82.059 -4.840 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.830 -3.249 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.405 -4.188 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.958 -6.244 -2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 69 84.022 -4.577 -2.902 1.00 0.00 H new ATOM 1094 N LEU A 70 80.081 -2.212 -5.105 1.00 0.00 N ATOM 1095 CA LEU A 70 78.870 -1.660 -5.773 1.00 0.00 C ATOM 1096 C LEU A 70 79.036 -1.702 -7.291 1.00 0.00 C ATOM 1097 O LEU A 70 78.114 -2.004 -8.020 1.00 0.00 O ATOM 1098 CB LEU A 70 78.766 -0.215 -5.283 1.00 0.00 C ATOM 1099 CG LEU A 70 77.688 0.518 -6.082 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.746 1.245 -5.121 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.349 1.535 -7.016 1.00 0.00 C ATOM 0 H LEU A 70 80.514 -1.598 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 70 77.974 -2.234 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.522 -0.197 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.725 0.289 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 70 77.120 -0.202 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.977 1.768 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.275 0.521 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.313 1.965 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.581 2.058 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.917 2.255 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.020 1.017 -7.701 1.00 0.00 H new ATOM 1113 N GLU A 71 80.208 -1.401 -7.772 1.00 0.00 N ATOM 1114 CA GLU A 71 80.436 -1.422 -9.242 1.00 0.00 C ATOM 1115 C GLU A 71 80.760 -2.848 -9.703 1.00 0.00 C ATOM 1116 O GLU A 71 80.332 -3.284 -10.753 1.00 0.00 O ATOM 1117 CB GLU A 71 81.630 -0.488 -9.460 1.00 0.00 C ATOM 1118 CG GLU A 71 82.311 -0.816 -10.790 1.00 0.00 C ATOM 1119 CD GLU A 71 82.572 0.477 -11.564 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.615 1.522 -10.937 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.723 0.401 -12.773 1.00 0.00 O ATOM 0 H GLU A 71 81.019 -1.141 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 71 79.562 -1.103 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.296 0.550 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.341 -0.595 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.250 -1.340 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.681 -1.483 -11.378 1.00 0.00 H new ATOM 1128 N GLU A 72 81.523 -3.572 -8.930 1.00 0.00 N ATOM 1129 CA GLU A 72 81.884 -4.956 -9.325 1.00 0.00 C ATOM 1130 C GLU A 72 80.709 -5.916 -9.110 1.00 0.00 C ATOM 1131 O GLU A 72 80.751 -7.055 -9.530 1.00 0.00 O ATOM 1132 CB GLU A 72 83.056 -5.334 -8.418 1.00 0.00 C ATOM 1133 CG GLU A 72 83.648 -6.667 -8.879 1.00 0.00 C ATOM 1134 CD GLU A 72 85.176 -6.589 -8.837 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.685 -5.633 -8.278 1.00 0.00 O ATOM 1136 OE2 GLU A 72 85.809 -7.488 -9.364 1.00 0.00 O ATOM 0 H GLU A 72 81.911 -3.260 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 72 82.142 -5.019 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.818 -4.556 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.719 -5.411 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.297 -7.475 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.313 -6.896 -9.891 1.00 0.00 H new ATOM 1143 N LYS A 73 79.663 -5.479 -8.460 1.00 0.00 N ATOM 1144 CA LYS A 73 78.509 -6.391 -8.233 1.00 0.00 C ATOM 1145 C LYS A 73 77.277 -5.879 -8.978 1.00 0.00 C ATOM 1146 O LYS A 73 76.833 -6.480 -9.936 1.00 0.00 O ATOM 1147 CB LYS A 73 78.273 -6.363 -6.723 1.00 0.00 C ATOM 1148 CG LYS A 73 79.569 -6.724 -5.997 1.00 0.00 C ATOM 1149 CD LYS A 73 79.654 -8.242 -5.826 1.00 0.00 C ATOM 1150 CE LYS A 73 81.106 -8.696 -5.993 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.129 -9.442 -7.282 1.00 0.00 N ATOM 0 H LYS A 73 79.560 -4.538 -8.080 1.00 0.00 H new ATOM 0 HA LYS A 73 78.703 -7.400 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.935 -5.373 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.485 -7.067 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.428 -6.363 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.601 -6.236 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.283 -8.529 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.020 -8.737 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 73 81.786 -7.844 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.419 -9.330 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.055 -9.900 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.383 -10.166 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.965 -8.781 -8.068 1.00 0.00 H new ATOM 1165 N GLN A 74 76.739 -4.772 -8.534 1.00 0.00 N ATOM 1166 CA GLN A 74 75.523 -4.176 -9.186 1.00 0.00 C ATOM 1167 C GLN A 74 74.691 -5.252 -9.895 1.00 0.00 C ATOM 1168 O GLN A 74 74.962 -5.614 -11.022 1.00 0.00 O ATOM 1169 CB GLN A 74 76.069 -3.169 -10.200 1.00 0.00 C ATOM 1170 CG GLN A 74 75.779 -1.746 -9.713 1.00 0.00 C ATOM 1171 CD GLN A 74 74.267 -1.507 -9.697 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.612 -1.747 -8.702 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.683 -1.035 -10.764 1.00 0.00 N ATOM 0 H GLN A 74 77.093 -4.245 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 74 74.863 -3.710 -8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.142 -3.310 -10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.609 -3.332 -11.175 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.191 -1.602 -8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.265 -1.021 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.233 -0.833 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.677 -0.868 -10.763 1.00 0.00 H new ATOM 1182 N GLY A 75 73.685 -5.770 -9.244 1.00 0.00 N ATOM 1183 CA GLY A 75 72.852 -6.825 -9.887 1.00 0.00 C ATOM 1184 C GLY A 75 73.114 -8.168 -9.202 1.00 0.00 C ATOM 1185 O GLY A 75 72.258 -8.715 -8.535 1.00 0.00 O ATOM 0 H GLY A 75 73.405 -5.509 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.796 -6.566 -9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.089 -6.894 -10.949 1.00 0.00 H new ATOM 1189 N ALA A 76 74.298 -8.696 -9.360 1.00 0.00 N ATOM 1190 CA ALA A 76 74.640 -10.001 -8.720 1.00 0.00 C ATOM 1191 C ALA A 76 73.570 -11.053 -9.021 1.00 0.00 C ATOM 1192 O ALA A 76 73.440 -12.036 -8.321 1.00 0.00 O ATOM 1193 CB ALA A 76 74.697 -9.707 -7.221 1.00 0.00 C ATOM 0 H ALA A 76 75.049 -8.277 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 76 75.582 -10.401 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.944 -10.621 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.460 -8.953 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.728 -9.338 -6.886 1.00 0.00 H new ATOM 1199 N GLU A 77 72.815 -10.856 -10.064 1.00 0.00 N ATOM 1200 CA GLU A 77 71.755 -11.844 -10.426 1.00 0.00 C ATOM 1201 C GLU A 77 71.054 -12.369 -9.167 1.00 0.00 C ATOM 1202 O GLU A 77 71.328 -13.455 -8.699 1.00 0.00 O ATOM 1203 CB GLU A 77 72.497 -12.977 -11.135 1.00 0.00 C ATOM 1204 CG GLU A 77 72.236 -12.896 -12.640 1.00 0.00 C ATOM 1205 CD GLU A 77 73.010 -11.717 -13.232 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.940 -11.263 -12.587 1.00 0.00 O ATOM 1207 OE2 GLU A 77 72.659 -11.288 -14.318 1.00 0.00 O ATOM 0 H GLU A 77 72.885 -10.050 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 77 70.982 -11.402 -11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.566 -12.906 -10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.165 -13.941 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.542 -13.824 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.169 -12.775 -12.828 1.00 0.00 H new ATOM 1214 N ILE A 78 70.152 -11.604 -8.616 1.00 0.00 N ATOM 1215 CA ILE A 78 69.434 -12.054 -7.389 1.00 0.00 C ATOM 1216 C ILE A 78 67.951 -11.694 -7.492 1.00 0.00 C ATOM 1217 O ILE A 78 67.523 -11.055 -8.429 1.00 0.00 O ATOM 1218 CB ILE A 78 70.081 -11.284 -6.237 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.602 -11.262 -6.411 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.734 -11.963 -4.912 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.196 -10.208 -5.479 1.00 0.00 C ATOM 0 H ILE A 78 69.880 -10.684 -8.963 1.00 0.00 H new ATOM 0 HA ILE A 78 69.501 -13.133 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 78 69.705 -10.261 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.021 -12.243 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.859 -11.037 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.195 -11.415 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.652 -11.972 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.107 -12.987 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.279 -10.187 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.784 -9.230 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.949 -10.454 -4.446 1.00 0.00 H new ATOM 1233 N ASP A 79 67.161 -12.091 -6.534 1.00 0.00 N ATOM 1234 CA ASP A 79 65.710 -11.755 -6.591 1.00 0.00 C ATOM 1235 C ASP A 79 65.173 -12.007 -8.002 1.00 0.00 C ATOM 1236 O ASP A 79 64.248 -11.361 -8.449 1.00 0.00 O ATOM 1237 CB ASP A 79 65.635 -10.264 -6.251 1.00 0.00 C ATOM 1238 CG ASP A 79 66.560 -9.956 -5.073 1.00 0.00 C ATOM 1239 OD1 ASP A 79 67.761 -9.914 -5.282 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.052 -9.767 -3.980 1.00 0.00 O ATOM 0 H ASP A 79 67.454 -12.630 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 79 65.116 -12.360 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.923 -9.669 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 64.610 -9.989 -6.002 1.00 0.00 H new ATOM 1245 N GLY A 80 65.750 -12.942 -8.704 1.00 0.00 N ATOM 1246 CA GLY A 80 65.282 -13.238 -10.081 1.00 0.00 C ATOM 1247 C GLY A 80 65.678 -12.092 -11.015 1.00 0.00 C ATOM 1248 O GLY A 80 65.041 -11.849 -12.020 1.00 0.00 O ATOM 0 H GLY A 80 66.529 -13.515 -8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.719 -14.173 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.200 -13.369 -10.088 1.00 0.00 H new ATOM 1252 N ARG A 81 66.728 -11.386 -10.689 1.00 0.00 N ATOM 1253 CA ARG A 81 67.169 -10.256 -11.558 1.00 0.00 C ATOM 1254 C ARG A 81 68.369 -9.554 -10.921 1.00 0.00 C ATOM 1255 O ARG A 81 68.924 -10.018 -9.949 1.00 0.00 O ATOM 1256 CB ARG A 81 65.967 -9.313 -11.628 1.00 0.00 C ATOM 1257 CG ARG A 81 65.393 -9.111 -10.225 1.00 0.00 C ATOM 1258 CD ARG A 81 64.430 -7.920 -10.232 1.00 0.00 C ATOM 1259 NE ARG A 81 63.071 -8.526 -10.287 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.706 -9.217 -11.331 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.154 -8.617 -12.351 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.892 -10.509 -11.357 1.00 0.00 N ATOM 0 H ARG A 81 67.299 -11.543 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 81 67.478 -10.587 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 81 66.268 -8.354 -12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.205 -9.727 -12.288 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.872 -10.012 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.199 -8.936 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.553 -7.307 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.609 -7.272 -11.090 1.00 0.00 H new ATOM 0 HE ARG A 81 62.425 -8.401 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.008 -7.608 -12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.869 -9.158 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.323 -10.978 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 81 62.606 -11.049 -12.174 1.00 0.00 H new ATOM 1276 N SER A 82 68.779 -8.441 -11.456 1.00 0.00 N ATOM 1277 CA SER A 82 69.944 -7.730 -10.864 1.00 0.00 C ATOM 1278 C SER A 82 69.477 -6.752 -9.786 1.00 0.00 C ATOM 1279 O SER A 82 68.645 -5.900 -10.023 1.00 0.00 O ATOM 1280 CB SER A 82 70.586 -6.974 -12.023 1.00 0.00 C ATOM 1281 OG SER A 82 69.710 -6.988 -13.144 1.00 0.00 O ATOM 0 H SER A 82 68.362 -7.994 -12.272 1.00 0.00 H new ATOM 0 HA SER A 82 70.643 -8.419 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.799 -5.947 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.539 -7.433 -12.287 1.00 0.00 H new ATOM 0 HG SER A 82 68.972 -6.362 -12.990 1.00 0.00 H new ATOM 1287 N VAL A 83 70.017 -6.860 -8.603 1.00 0.00 N ATOM 1288 CA VAL A 83 69.610 -5.924 -7.517 1.00 0.00 C ATOM 1289 C VAL A 83 70.124 -4.520 -7.839 1.00 0.00 C ATOM 1290 O VAL A 83 71.138 -4.356 -8.487 1.00 0.00 O ATOM 1291 CB VAL A 83 70.263 -6.466 -6.244 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.741 -6.756 -6.507 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.139 -5.426 -5.128 1.00 0.00 C ATOM 0 H VAL A 83 70.719 -7.552 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 83 68.528 -5.857 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 83 69.763 -7.387 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.203 -7.142 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.831 -7.496 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.244 -5.837 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.604 -5.810 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.639 -4.506 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.086 -5.220 -4.938 1.00 0.00 H new ATOM 1303 N SER A 84 69.430 -3.504 -7.404 1.00 0.00 N ATOM 1304 CA SER A 84 69.887 -2.119 -7.707 1.00 0.00 C ATOM 1305 C SER A 84 70.723 -1.567 -6.553 1.00 0.00 C ATOM 1306 O SER A 84 70.359 -1.675 -5.398 1.00 0.00 O ATOM 1307 CB SER A 84 68.610 -1.304 -7.877 1.00 0.00 C ATOM 1308 OG SER A 84 67.772 -1.937 -8.836 1.00 0.00 O ATOM 0 H SER A 84 68.573 -3.572 -6.856 1.00 0.00 H new ATOM 0 HA SER A 84 70.515 -2.083 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.090 -1.218 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.852 -0.291 -8.200 1.00 0.00 H new ATOM 0 HG SER A 84 67.028 -1.341 -9.065 1.00 0.00 H new ATOM 1314 N LEU A 85 71.838 -0.969 -6.862 1.00 0.00 N ATOM 1315 CA LEU A 85 72.702 -0.399 -5.791 1.00 0.00 C ATOM 1316 C LEU A 85 72.605 1.128 -5.806 1.00 0.00 C ATOM 1317 O LEU A 85 72.849 1.764 -6.811 1.00 0.00 O ATOM 1318 CB LEU A 85 74.116 -0.858 -6.143 1.00 0.00 C ATOM 1319 CG LEU A 85 74.188 -2.384 -6.063 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.649 -2.830 -6.133 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.577 -2.855 -4.741 1.00 0.00 C ATOM 0 H LEU A 85 72.190 -0.850 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 85 72.409 -0.726 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.380 -0.522 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.836 -0.412 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 85 73.634 -2.817 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.701 -3.917 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.087 -2.495 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.202 -2.396 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.628 -3.942 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.132 -2.421 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.536 -2.537 -4.688 1.00 0.00 H new ATOM 1333 N TYR A 86 72.245 1.720 -4.701 1.00 0.00 N ATOM 1334 CA TYR A 86 72.129 3.203 -4.657 1.00 0.00 C ATOM 1335 C TYR A 86 73.158 3.783 -3.696 1.00 0.00 C ATOM 1336 O TYR A 86 72.929 3.879 -2.507 1.00 0.00 O ATOM 1337 CB TYR A 86 70.721 3.480 -4.142 1.00 0.00 C ATOM 1338 CG TYR A 86 69.730 3.342 -5.271 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.327 2.071 -5.697 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.209 4.485 -5.887 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.406 1.944 -6.742 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.287 4.359 -6.931 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.885 3.088 -7.360 1.00 0.00 C ATOM 1344 OH TYR A 86 66.975 2.962 -8.389 1.00 0.00 O ATOM 0 H TYR A 86 72.026 1.241 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 86 72.306 3.654 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.473 2.784 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.669 4.484 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.727 1.189 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.519 5.465 -5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.096 0.964 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.885 5.242 -7.406 1.00 0.00 H new ATOM 0 HH TYR A 86 66.713 3.852 -8.705 1.00 0.00 H new ATOM 1354 N TYR A 87 74.289 4.170 -4.199 1.00 0.00 N ATOM 1355 CA TYR A 87 75.334 4.745 -3.324 1.00 0.00 C ATOM 1356 C TYR A 87 74.753 5.896 -2.501 1.00 0.00 C ATOM 1357 O TYR A 87 73.558 6.111 -2.467 1.00 0.00 O ATOM 1358 CB TYR A 87 76.401 5.259 -4.285 1.00 0.00 C ATOM 1359 CG TYR A 87 77.770 4.829 -3.812 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.996 4.579 -2.453 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.812 4.678 -4.735 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.265 4.177 -2.018 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.080 4.277 -4.299 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.307 4.026 -2.942 1.00 0.00 C ATOM 1365 OH TYR A 87 81.557 3.629 -2.514 1.00 0.00 O ATOM 0 H TYR A 87 74.536 4.112 -5.187 1.00 0.00 H new ATOM 0 HA TYR A 87 75.734 4.019 -2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.216 4.874 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.353 6.346 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.192 4.696 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.637 4.871 -5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.440 3.983 -0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.884 4.161 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 87 81.923 4.303 -1.904 1.00 0.00 H new ATOM 1375 N THR A 88 75.592 6.639 -1.844 1.00 0.00 N ATOM 1376 CA THR A 88 75.092 7.781 -1.025 1.00 0.00 C ATOM 1377 C THR A 88 76.195 8.826 -0.842 1.00 0.00 C ATOM 1378 O THR A 88 76.284 9.477 0.179 1.00 0.00 O ATOM 1379 CB THR A 88 74.702 7.166 0.319 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.360 8.199 1.232 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.877 6.358 0.873 1.00 0.00 C ATOM 0 H THR A 88 76.604 6.508 -1.836 1.00 0.00 H new ATOM 0 HA THR A 88 74.252 8.290 -1.497 1.00 0.00 H new ATOM 0 HB THR A 88 73.845 6.507 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.924 8.983 1.065 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.598 5.920 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.135 5.564 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.737 7.014 1.011 1.00 0.00 H new ATOM 1389 N GLY A 89 77.033 8.991 -1.826 1.00 0.00 N ATOM 1390 CA GLY A 89 78.131 9.993 -1.712 1.00 0.00 C ATOM 1391 C GLY A 89 77.779 11.249 -2.495 1.00 0.00 C ATOM 1392 O GLY A 89 78.544 12.190 -2.576 1.00 0.00 O ATOM 0 H GLY A 89 77.006 8.475 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 89 78.297 10.243 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.061 9.569 -2.090 1.00 0.00 H new ATOM 1396 N GLU A 90 76.629 11.259 -3.068 1.00 0.00 N ATOM 1397 CA GLU A 90 76.185 12.440 -3.862 1.00 0.00 C ATOM 1398 C GLU A 90 77.130 12.668 -5.045 1.00 0.00 C ATOM 1399 O GLU A 90 77.360 13.785 -5.462 1.00 0.00 O ATOM 1400 CB GLU A 90 76.247 13.618 -2.891 1.00 0.00 C ATOM 1401 CG GLU A 90 75.555 13.239 -1.580 1.00 0.00 C ATOM 1402 CD GLU A 90 74.378 14.183 -1.332 1.00 0.00 C ATOM 1403 OE1 GLU A 90 73.713 14.536 -2.293 1.00 0.00 O ATOM 1404 OE2 GLU A 90 74.161 14.539 -0.185 1.00 0.00 O ATOM 0 H GLU A 90 75.957 10.493 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 90 75.185 12.306 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 90 77.285 13.891 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 90 75.763 14.490 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 90 75.204 12.208 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 90 76.262 13.298 -0.753 1.00 0.00 H new ATOM 1411 N LYS A 91 77.679 11.616 -5.589 1.00 0.00 N ATOM 1412 CA LYS A 91 78.609 11.773 -6.743 1.00 0.00 C ATOM 1413 C LYS A 91 77.978 11.196 -8.014 1.00 0.00 C ATOM 1414 O LYS A 91 77.638 11.917 -8.932 1.00 0.00 O ATOM 1415 CB LYS A 91 79.857 10.979 -6.357 1.00 0.00 C ATOM 1416 CG LYS A 91 80.874 11.038 -7.499 1.00 0.00 C ATOM 1417 CD LYS A 91 81.094 9.631 -8.058 1.00 0.00 C ATOM 1418 CE LYS A 91 80.897 9.647 -9.575 1.00 0.00 C ATOM 1419 NZ LYS A 91 81.505 8.375 -10.055 1.00 0.00 N ATOM 0 H LYS A 91 77.524 10.655 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 91 78.838 12.819 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 91 80.294 11.388 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 91 79.591 9.943 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 91 80.515 11.702 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 91 81.817 11.450 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 91 82.099 9.285 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 80.396 8.932 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 91 79.840 9.702 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 91 81.382 10.512 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 81.409 8.313 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 82.513 8.354 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 81.018 7.569 -9.613 1.00 0.00 H new ATOM 1433 N GLY A 92 77.818 9.902 -8.073 1.00 0.00 N ATOM 1434 CA GLY A 92 77.209 9.282 -9.284 1.00 0.00 C ATOM 1435 C GLY A 92 75.987 10.093 -9.715 1.00 0.00 C ATOM 1436 O GLY A 92 75.501 10.937 -8.988 1.00 0.00 O ATOM 0 H GLY A 92 78.082 9.248 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.939 9.247 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.919 8.253 -9.071 1.00 0.00 H new ATOM 1440 N GLY A 93 75.486 9.846 -10.895 1.00 0.00 N ATOM 1441 CA GLY A 93 74.295 10.604 -11.372 1.00 0.00 C ATOM 1442 C GLY A 93 73.381 9.671 -12.168 1.00 0.00 C ATOM 1443 O GLY A 93 72.505 9.030 -11.621 1.00 0.00 O ATOM 0 H GLY A 93 75.850 9.153 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.754 11.023 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.609 11.441 -11.995 1.00 0.00 H new ATOM 1447 N THR A 94 73.578 9.589 -13.455 1.00 0.00 N ATOM 1448 CA THR A 94 72.720 8.696 -14.287 1.00 0.00 C ATOM 1449 C THR A 94 71.256 8.815 -13.855 1.00 0.00 C ATOM 1450 O THR A 94 70.686 7.898 -13.298 1.00 0.00 O ATOM 1451 CB THR A 94 73.249 7.285 -14.023 1.00 0.00 C ATOM 1452 OG1 THR A 94 74.483 7.109 -14.703 1.00 0.00 O ATOM 1453 CG2 THR A 94 72.236 6.255 -14.525 1.00 0.00 C ATOM 0 H THR A 94 74.296 10.101 -13.967 1.00 0.00 H new ATOM 0 HA THR A 94 72.757 8.953 -15.346 1.00 0.00 H new ATOM 0 HB THR A 94 73.401 7.149 -12.952 1.00 0.00 H new ATOM 0 HG1 THR A 94 74.824 6.206 -14.533 1.00 0.00 H new ATOM 0 HG21 THR A 94 72.615 5.250 -14.336 1.00 0.00 H new ATOM 0 HG22 THR A 94 71.290 6.391 -14.002 1.00 0.00 H new ATOM 0 HG23 THR A 94 72.081 6.389 -15.596 1.00 0.00 H new ATOM 1461 N ARG A 95 70.642 9.938 -14.109 1.00 0.00 N ATOM 1462 CA ARG A 95 69.215 10.116 -13.713 1.00 0.00 C ATOM 1463 C ARG A 95 68.980 9.551 -12.309 1.00 0.00 C ATOM 1464 O ARG A 95 69.904 9.368 -11.541 1.00 0.00 O ATOM 1465 CB ARG A 95 68.416 9.324 -14.749 1.00 0.00 C ATOM 1466 CG ARG A 95 68.525 10.012 -16.112 1.00 0.00 C ATOM 1467 CD ARG A 95 67.150 10.538 -16.530 1.00 0.00 C ATOM 1468 NE ARG A 95 67.321 12.012 -16.644 1.00 0.00 N ATOM 1469 CZ ARG A 95 67.070 12.612 -17.776 1.00 0.00 C ATOM 1470 NH1 ARG A 95 65.837 12.765 -18.174 1.00 0.00 N ATOM 1471 NH2 ARG A 95 68.052 13.059 -18.509 1.00 0.00 N ATOM 0 H ARG A 95 71.066 10.741 -14.574 1.00 0.00 H new ATOM 0 HA ARG A 95 68.922 11.166 -13.686 1.00 0.00 H new ATOM 0 HB2 ARG A 95 68.794 8.304 -14.813 1.00 0.00 H new ATOM 0 HB3 ARG A 95 67.371 9.258 -14.445 1.00 0.00 H new ATOM 0 HG2 ARG A 95 69.240 10.833 -16.061 1.00 0.00 H new ATOM 0 HG3 ARG A 95 68.899 9.310 -16.857 1.00 0.00 H new ATOM 0 HD2 ARG A 95 66.832 10.103 -17.478 1.00 0.00 H new ATOM 0 HD3 ARG A 95 66.389 10.285 -15.792 1.00 0.00 H new ATOM 0 HE ARG A 95 67.634 12.553 -15.838 1.00 0.00 H new ATOM 0 HH11 ARG A 95 65.069 12.416 -17.601 1.00 0.00 H new ATOM 0 HH12 ARG A 95 65.641 13.234 -19.058 1.00 0.00 H new ATOM 0 HH21 ARG A 95 69.016 12.940 -18.198 1.00 0.00 H new ATOM 0 HH22 ARG A 95 67.856 13.528 -19.393 1.00 0.00 H new ATOM 1485 N GLY A 96 67.751 9.275 -11.969 1.00 0.00 N ATOM 1486 CA GLY A 96 67.458 8.724 -10.616 1.00 0.00 C ATOM 1487 C GLY A 96 67.590 9.833 -9.572 1.00 0.00 C ATOM 1488 O GLY A 96 68.541 10.592 -9.658 1.00 0.00 O ATOM 1489 OXT GLY A 96 66.737 9.905 -8.702 1.00 0.00 O ATOM 0 H GLY A 96 66.937 9.407 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 96 66.452 8.306 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 96 68.146 7.911 -10.386 1.00 0.00 H new TER 1493 GLY A 96