USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0161 (180deg=-0.349) USER MOD Single : A 2 SER OG : rot 52:sc= 0.962 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 12 HIS : no HE2:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.888 K(o=0.89,f=-0.31) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.676 K(o=-0.68,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 33 THR OG1 : rot -60:sc= 1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -156:sc= 0 (180deg=-0.101) USER MOD Single : A 40 ASN : amide:sc= 0.576 K(o=0.58,f=-4.7!) USER MOD Single : A 42 TYR OH : rot 60:sc= 0.0712 USER MOD Single : A 43 CYS SG : rot -14:sc= 0.216 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -137:sc= -0.0822 (180deg=-1.4!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 ASN : amide:sc= 0.976 K(o=0.98,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.045) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 172:sc= 0 (180deg=-0.0743) USER MOD Single : A 78 THR OG1 : rot 53:sc= 0.22 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.641 -2.188 -23.554 1.00 0.00 N ATOM 2 CA MET A 1 18.500 -2.956 -24.121 1.00 0.00 C ATOM 3 C MET A 1 18.951 -3.610 -25.416 1.00 0.00 C ATOM 4 O MET A 1 19.862 -3.105 -26.066 1.00 0.00 O ATOM 5 CB MET A 1 17.301 -1.999 -24.366 1.00 0.00 C ATOM 6 CG MET A 1 16.770 -1.297 -23.100 1.00 0.00 C ATOM 7 SD MET A 1 15.513 -0.039 -23.465 1.00 0.00 S ATOM 8 CE MET A 1 15.326 0.487 -21.738 1.00 0.00 C ATOM 0 H1 MET A 1 19.755 -2.427 -22.548 1.00 0.00 H new ATOM 0 H2 MET A 1 20.512 -2.430 -24.068 1.00 0.00 H new ATOM 0 H3 MET A 1 19.455 -1.169 -23.648 1.00 0.00 H new ATOM 0 HA MET A 1 18.177 -3.731 -23.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.601 -1.239 -25.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.488 -2.566 -24.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.346 -2.043 -22.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.602 -0.830 -22.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.583 1.283 -21.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.001 -0.359 -21.133 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.282 0.854 -21.364 1.00 0.00 H new ATOM 20 N SER A 2 18.374 -4.767 -25.802 1.00 0.00 N ATOM 21 CA SER A 2 18.787 -5.482 -27.009 1.00 0.00 C ATOM 22 C SER A 2 17.984 -6.735 -27.220 1.00 0.00 C ATOM 23 O SER A 2 17.411 -6.944 -28.287 1.00 0.00 O ATOM 24 CB SER A 2 20.281 -5.927 -27.026 1.00 0.00 C ATOM 25 OG SER A 2 21.068 -4.936 -27.682 1.00 0.00 O ATOM 0 H SER A 2 17.619 -5.220 -25.287 1.00 0.00 H new ATOM 0 HA SER A 2 18.622 -4.746 -27.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.639 -6.074 -26.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.380 -6.883 -27.540 1.00 0.00 H new ATOM 0 HG SER A 2 20.887 -4.059 -27.285 1.00 0.00 H new ATOM 31 N ASP A 3 17.980 -7.630 -26.223 1.00 0.00 N ATOM 32 CA ASP A 3 17.456 -8.963 -26.369 1.00 0.00 C ATOM 33 C ASP A 3 17.189 -9.471 -24.959 1.00 0.00 C ATOM 34 O ASP A 3 17.613 -8.838 -23.990 1.00 0.00 O ATOM 35 CB ASP A 3 18.511 -9.832 -27.110 1.00 0.00 C ATOM 36 CG ASP A 3 17.912 -11.049 -27.774 1.00 0.00 C ATOM 37 OD1 ASP A 3 16.690 -11.300 -27.627 1.00 0.00 O ATOM 38 OD2 ASP A 3 18.684 -11.734 -28.499 1.00 0.00 O ATOM 0 H ASP A 3 18.347 -7.432 -25.292 1.00 0.00 H new ATOM 0 HA ASP A 3 16.537 -8.998 -26.953 1.00 0.00 H new ATOM 0 HB2 ASP A 3 19.011 -9.223 -27.863 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.274 -10.151 -26.400 1.00 0.00 H new ATOM 43 N GLU A 4 16.501 -10.617 -24.797 1.00 0.00 N ATOM 44 CA GLU A 4 16.205 -11.155 -23.477 1.00 0.00 C ATOM 45 C GLU A 4 17.395 -11.932 -22.917 1.00 0.00 C ATOM 46 O GLU A 4 17.623 -13.100 -23.233 1.00 0.00 O ATOM 47 CB GLU A 4 14.899 -11.996 -23.426 1.00 0.00 C ATOM 48 CG GLU A 4 14.497 -12.318 -21.962 1.00 0.00 C ATOM 49 CD GLU A 4 13.109 -12.893 -21.736 1.00 0.00 C ATOM 50 OE1 GLU A 4 12.413 -13.350 -22.676 1.00 0.00 O ATOM 51 OE2 GLU A 4 12.693 -12.891 -20.545 1.00 0.00 O ATOM 0 H GLU A 4 16.145 -11.180 -25.569 1.00 0.00 H new ATOM 0 HA GLU A 4 16.025 -10.293 -22.834 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.092 -11.451 -23.916 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.039 -12.924 -23.980 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.225 -13.022 -21.558 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.583 -11.401 -21.378 1.00 0.00 H new ATOM 58 N LYS A 5 18.227 -11.261 -22.094 1.00 0.00 N ATOM 59 CA LYS A 5 19.451 -11.851 -21.584 1.00 0.00 C ATOM 60 C LYS A 5 19.979 -11.133 -20.342 1.00 0.00 C ATOM 61 O LYS A 5 21.192 -10.996 -20.156 1.00 0.00 O ATOM 62 CB LYS A 5 20.550 -11.813 -22.685 1.00 0.00 C ATOM 63 CG LYS A 5 20.844 -10.405 -23.234 1.00 0.00 C ATOM 64 CD LYS A 5 22.110 -10.377 -24.099 1.00 0.00 C ATOM 65 CE LYS A 5 22.545 -8.952 -24.448 1.00 0.00 C ATOM 66 NZ LYS A 5 23.843 -8.987 -25.128 1.00 0.00 N ATOM 0 H LYS A 5 18.059 -10.307 -21.776 1.00 0.00 H new ATOM 0 HA LYS A 5 19.214 -12.877 -21.303 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.471 -12.232 -22.278 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.244 -12.456 -23.510 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.994 -10.062 -23.824 1.00 0.00 H new ATOM 0 HG3 LYS A 5 20.957 -9.709 -22.403 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.919 -10.882 -23.571 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.932 -10.935 -25.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.800 -8.480 -25.089 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.614 -8.350 -23.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 24.137 -8.018 -25.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.551 -9.421 -24.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 23.763 -9.547 -26.001 1.00 0.00 H new ATOM 80 N LYS A 6 19.099 -10.642 -19.445 1.00 0.00 N ATOM 81 CA LYS A 6 19.540 -9.897 -18.273 1.00 0.00 C ATOM 82 C LYS A 6 18.834 -10.378 -17.027 1.00 0.00 C ATOM 83 O LYS A 6 17.637 -10.659 -17.031 1.00 0.00 O ATOM 84 CB LYS A 6 19.445 -8.348 -18.449 1.00 0.00 C ATOM 85 CG LYS A 6 18.074 -7.648 -18.253 1.00 0.00 C ATOM 86 CD LYS A 6 17.748 -7.318 -16.777 1.00 0.00 C ATOM 87 CE LYS A 6 16.847 -6.096 -16.533 1.00 0.00 C ATOM 88 NZ LYS A 6 15.456 -6.322 -16.956 1.00 0.00 N ATOM 0 H LYS A 6 18.088 -10.753 -19.519 1.00 0.00 H new ATOM 0 HA LYS A 6 20.604 -10.104 -18.155 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.148 -7.894 -17.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.795 -8.110 -19.453 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.061 -6.725 -18.833 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.289 -8.288 -18.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.270 -8.190 -16.329 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.687 -7.162 -16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.863 -5.844 -15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.251 -5.239 -17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.893 -5.468 -16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.433 -6.536 -17.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.057 -7.122 -16.425 1.00 0.00 H new ATOM 102 N GLY A 7 19.574 -10.480 -15.910 1.00 0.00 N ATOM 103 CA GLY A 7 19.051 -10.963 -14.642 1.00 0.00 C ATOM 104 C GLY A 7 19.254 -9.926 -13.588 1.00 0.00 C ATOM 105 O GLY A 7 20.282 -9.255 -13.544 1.00 0.00 O ATOM 0 H GLY A 7 20.561 -10.224 -15.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.990 -11.194 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.554 -11.887 -14.358 1.00 0.00 H new ATOM 109 N GLY A 8 18.265 -9.752 -12.707 1.00 0.00 N ATOM 110 CA GLY A 8 18.311 -8.750 -11.658 1.00 0.00 C ATOM 111 C GLY A 8 16.920 -8.554 -11.148 1.00 0.00 C ATOM 112 O GLY A 8 16.001 -9.241 -11.586 1.00 0.00 O ATOM 0 H GLY A 8 17.410 -10.308 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 8 18.971 -9.071 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 8 18.712 -7.812 -12.043 1.00 0.00 H new ATOM 116 N GLU A 9 16.731 -7.609 -10.206 1.00 0.00 N ATOM 117 CA GLU A 9 15.437 -7.298 -9.608 1.00 0.00 C ATOM 118 C GLU A 9 14.869 -8.446 -8.765 1.00 0.00 C ATOM 119 O GLU A 9 13.666 -8.684 -8.645 1.00 0.00 O ATOM 120 CB GLU A 9 14.465 -6.677 -10.654 1.00 0.00 C ATOM 121 CG GLU A 9 13.204 -5.997 -10.066 1.00 0.00 C ATOM 122 CD GLU A 9 12.501 -5.051 -11.028 1.00 0.00 C ATOM 123 OE1 GLU A 9 12.970 -4.820 -12.168 1.00 0.00 O ATOM 124 OE2 GLU A 9 11.469 -4.474 -10.598 1.00 0.00 O ATOM 0 H GLU A 9 17.492 -7.036 -9.840 1.00 0.00 H new ATOM 0 HA GLU A 9 15.587 -6.513 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.013 -5.941 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.147 -7.462 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.501 -6.769 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.487 -5.443 -9.171 1.00 0.00 H new ATOM 131 N THR A 10 15.786 -9.183 -8.113 1.00 0.00 N ATOM 132 CA THR A 10 15.493 -10.331 -7.273 1.00 0.00 C ATOM 133 C THR A 10 14.941 -9.895 -5.924 1.00 0.00 C ATOM 134 O THR A 10 15.118 -8.755 -5.499 1.00 0.00 O ATOM 135 CB THR A 10 16.723 -11.220 -7.050 1.00 0.00 C ATOM 136 OG1 THR A 10 17.564 -11.210 -8.196 1.00 0.00 O ATOM 137 CG2 THR A 10 16.305 -12.685 -6.856 1.00 0.00 C ATOM 0 H THR A 10 16.784 -8.978 -8.166 1.00 0.00 H new ATOM 0 HA THR A 10 14.742 -10.914 -7.805 1.00 0.00 H new ATOM 0 HB THR A 10 17.236 -10.829 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.344 -11.781 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 10 17.192 -13.299 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.651 -12.765 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.775 -13.033 -7.743 1.00 0.00 H new ATOM 145 N GLU A 11 14.233 -10.803 -5.222 1.00 0.00 N ATOM 146 CA GLU A 11 13.659 -10.574 -3.907 1.00 0.00 C ATOM 147 C GLU A 11 12.485 -9.587 -3.903 1.00 0.00 C ATOM 148 O GLU A 11 12.369 -8.656 -3.099 1.00 0.00 O ATOM 149 CB GLU A 11 14.728 -10.289 -2.823 1.00 0.00 C ATOM 150 CG GLU A 11 14.226 -10.583 -1.394 1.00 0.00 C ATOM 151 CD GLU A 11 15.291 -10.340 -0.346 1.00 0.00 C ATOM 152 OE1 GLU A 11 15.766 -9.190 -0.182 1.00 0.00 O ATOM 153 OE2 GLU A 11 15.608 -11.309 0.391 1.00 0.00 O ATOM 0 H GLU A 11 14.047 -11.741 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 11 13.206 -11.523 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.612 -10.894 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.035 -9.245 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.360 -9.956 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.892 -11.619 -1.335 1.00 0.00 H new ATOM 160 N HIS A 12 11.527 -9.809 -4.822 1.00 0.00 N ATOM 161 CA HIS A 12 10.284 -9.068 -4.851 1.00 0.00 C ATOM 162 C HIS A 12 9.162 -9.821 -4.150 1.00 0.00 C ATOM 163 O HIS A 12 8.975 -11.024 -4.331 1.00 0.00 O ATOM 164 CB HIS A 12 9.873 -8.610 -6.276 1.00 0.00 C ATOM 165 CG HIS A 12 9.680 -9.665 -7.338 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.831 -10.747 -7.234 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.163 -9.692 -8.611 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.833 -11.369 -8.436 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.615 -10.758 -9.308 1.00 0.00 N ATOM 0 H HIS A 12 11.607 -10.510 -5.559 1.00 0.00 H new ATOM 0 HA HIS A 12 10.468 -8.153 -4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.942 -8.051 -6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.631 -7.913 -6.633 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.302 -11.026 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.871 -8.985 -9.019 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.263 -12.259 -8.656 1.00 0.00 H new ATOM 177 N ILE A 13 8.387 -9.114 -3.310 1.00 0.00 N ATOM 178 CA ILE A 13 7.295 -9.678 -2.531 1.00 0.00 C ATOM 179 C ILE A 13 5.957 -9.274 -3.125 1.00 0.00 C ATOM 180 O ILE A 13 5.831 -8.235 -3.774 1.00 0.00 O ATOM 181 CB ILE A 13 7.362 -9.286 -1.055 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.468 -7.756 -0.846 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.557 -10.034 -0.426 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.260 -7.326 0.612 1.00 0.00 C ATOM 0 H ILE A 13 8.513 -8.113 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 13 7.398 -10.762 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 13 6.433 -9.574 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.449 -7.418 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.728 -7.259 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.633 -9.775 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.407 -11.109 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.476 -9.746 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.347 -6.242 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.269 -7.634 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.016 -7.796 1.241 1.00 0.00 H new ATOM 196 N ASN A 14 4.915 -10.110 -2.928 1.00 0.00 N ATOM 197 CA ASN A 14 3.574 -9.856 -3.433 1.00 0.00 C ATOM 198 C ASN A 14 2.711 -9.137 -2.405 1.00 0.00 C ATOM 199 O ASN A 14 2.520 -9.627 -1.291 1.00 0.00 O ATOM 200 CB ASN A 14 2.830 -11.170 -3.777 1.00 0.00 C ATOM 201 CG ASN A 14 3.559 -11.927 -4.876 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.604 -11.472 -6.022 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.077 -13.129 -4.557 1.00 0.00 N ATOM 0 H ASN A 14 4.995 -10.984 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 14 3.714 -9.243 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.754 -11.795 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.812 -10.945 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.526 -13.697 -5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.020 -13.471 -3.598 1.00 0.00 H new ATOM 210 N LEU A 15 2.143 -7.976 -2.778 1.00 0.00 N ATOM 211 CA LEU A 15 1.197 -7.242 -1.954 1.00 0.00 C ATOM 212 C LEU A 15 -0.162 -7.259 -2.634 1.00 0.00 C ATOM 213 O LEU A 15 -0.295 -6.878 -3.796 1.00 0.00 O ATOM 214 CB LEU A 15 1.599 -5.759 -1.718 1.00 0.00 C ATOM 215 CG LEU A 15 2.782 -5.522 -0.750 1.00 0.00 C ATOM 216 CD1 LEU A 15 4.146 -5.884 -1.347 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.807 -4.055 -0.295 1.00 0.00 C ATOM 0 H LEU A 15 2.338 -7.526 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 15 1.180 -7.735 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.849 -5.314 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.730 -5.224 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 15 2.615 -6.188 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.927 -5.692 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.155 -6.939 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.327 -5.279 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.644 -3.900 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.921 -3.407 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.874 -3.817 0.216 1.00 0.00 H new ATOM 229 N LYS A 16 -1.217 -7.709 -1.927 1.00 0.00 N ATOM 230 CA LYS A 16 -2.573 -7.728 -2.439 1.00 0.00 C ATOM 231 C LYS A 16 -3.419 -6.676 -1.748 1.00 0.00 C ATOM 232 O LYS A 16 -3.306 -6.447 -0.546 1.00 0.00 O ATOM 233 CB LYS A 16 -3.226 -9.112 -2.235 1.00 0.00 C ATOM 234 CG LYS A 16 -2.452 -10.234 -2.942 1.00 0.00 C ATOM 235 CD LYS A 16 -3.040 -11.622 -2.679 1.00 0.00 C ATOM 236 CE LYS A 16 -2.614 -12.192 -1.326 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.187 -13.531 -1.172 1.00 0.00 N ATOM 0 H LYS A 16 -1.135 -8.070 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.522 -7.513 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.283 -9.330 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.249 -9.087 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.448 -10.045 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.414 -10.216 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.128 -11.566 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.726 -12.302 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.527 -12.238 -1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.954 -11.542 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.902 -13.927 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.224 -13.472 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.842 -14.146 -1.936 1.00 0.00 H new ATOM 251 N VAL A 17 -4.292 -6.004 -2.513 1.00 0.00 N ATOM 252 CA VAL A 17 -5.150 -4.941 -2.021 1.00 0.00 C ATOM 253 C VAL A 17 -6.592 -5.420 -2.043 1.00 0.00 C ATOM 254 O VAL A 17 -7.099 -5.821 -3.090 1.00 0.00 O ATOM 255 CB VAL A 17 -5.019 -3.683 -2.874 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.843 -2.539 -2.258 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.535 -3.273 -2.971 1.00 0.00 C ATOM 0 H VAL A 17 -4.416 -6.195 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.847 -4.693 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.399 -3.889 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.743 -1.646 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.892 -2.831 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.479 -2.329 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.445 -2.374 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.146 -3.074 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.964 -4.081 -3.428 1.00 0.00 H new ATOM 267 N LEU A 18 -7.284 -5.410 -0.887 1.00 0.00 N ATOM 268 CA LEU A 18 -8.654 -5.891 -0.770 1.00 0.00 C ATOM 269 C LEU A 18 -9.612 -4.726 -0.546 1.00 0.00 C ATOM 270 O LEU A 18 -9.789 -4.238 0.573 1.00 0.00 O ATOM 271 CB LEU A 18 -8.825 -6.914 0.389 1.00 0.00 C ATOM 272 CG LEU A 18 -8.223 -8.319 0.142 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.692 -8.363 0.268 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.834 -9.329 1.125 1.00 0.00 C ATOM 0 H LEU A 18 -6.896 -5.064 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.888 -6.395 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.369 -6.497 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.889 -7.027 0.595 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.468 -8.578 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.341 -9.378 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.247 -7.686 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.401 -8.056 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.406 -10.315 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.616 -9.019 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.914 -9.370 0.980 1.00 0.00 H new ATOM 286 N GLY A 19 -10.280 -4.237 -1.609 1.00 0.00 N ATOM 287 CA GLY A 19 -11.201 -3.109 -1.508 1.00 0.00 C ATOM 288 C GLY A 19 -12.562 -3.453 -0.961 1.00 0.00 C ATOM 289 O GLY A 19 -13.190 -4.442 -1.335 1.00 0.00 O ATOM 0 H GLY A 19 -10.191 -4.616 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.751 -2.346 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.323 -2.668 -2.497 1.00 0.00 H new ATOM 293 N GLN A 20 -13.096 -2.596 -0.073 1.00 0.00 N ATOM 294 CA GLN A 20 -14.463 -2.678 0.431 1.00 0.00 C ATOM 295 C GLN A 20 -15.479 -2.383 -0.666 1.00 0.00 C ATOM 296 O GLN A 20 -16.581 -2.922 -0.708 1.00 0.00 O ATOM 297 CB GLN A 20 -14.650 -1.704 1.623 1.00 0.00 C ATOM 298 CG GLN A 20 -15.883 -2.017 2.514 1.00 0.00 C ATOM 299 CD GLN A 20 -15.757 -3.247 3.431 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.744 -3.680 4.033 1.00 0.00 O ATOM 301 NE2 GLN A 20 -14.546 -3.816 3.581 1.00 0.00 N ATOM 0 H GLN A 20 -12.572 -1.813 0.318 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.637 -3.698 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.753 -1.729 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.743 -0.689 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.089 -1.145 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.748 -2.158 1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.742 -3.445 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.433 -4.619 4.200 1.00 0.00 H new ATOM 310 N ASP A 21 -15.084 -1.557 -1.652 1.00 0.00 N ATOM 311 CA ASP A 21 -15.749 -1.355 -2.922 1.00 0.00 C ATOM 312 C ASP A 21 -15.483 -2.488 -3.934 1.00 0.00 C ATOM 313 O ASP A 21 -15.664 -2.339 -5.141 1.00 0.00 O ATOM 314 CB ASP A 21 -15.358 0.052 -3.465 1.00 0.00 C ATOM 315 CG ASP A 21 -13.858 0.301 -3.465 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.252 0.314 -2.362 1.00 0.00 O ATOM 317 OD2 ASP A 21 -13.295 0.530 -4.566 1.00 0.00 O ATOM 0 H ASP A 21 -14.243 -0.987 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.827 -1.390 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.737 0.160 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.846 0.816 -2.860 1.00 0.00 H new ATOM 322 N ASN A 22 -15.084 -3.684 -3.442 1.00 0.00 N ATOM 323 CA ASN A 22 -15.038 -4.965 -4.138 1.00 0.00 C ATOM 324 C ASN A 22 -13.888 -5.147 -5.118 1.00 0.00 C ATOM 325 O ASN A 22 -13.670 -6.251 -5.623 1.00 0.00 O ATOM 326 CB ASN A 22 -16.390 -5.368 -4.798 1.00 0.00 C ATOM 327 CG ASN A 22 -17.418 -5.809 -3.767 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.845 -6.968 -3.782 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.869 -4.908 -2.872 1.00 0.00 N ATOM 0 H ASN A 22 -14.765 -3.771 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.839 -5.657 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.783 -4.523 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.220 -6.176 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.577 -5.178 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.502 -3.956 -2.878 1.00 0.00 H new ATOM 336 N ALA A 23 -13.108 -4.091 -5.402 1.00 0.00 N ATOM 337 CA ALA A 23 -11.966 -4.151 -6.283 1.00 0.00 C ATOM 338 C ALA A 23 -10.754 -4.831 -5.642 1.00 0.00 C ATOM 339 O ALA A 23 -10.311 -4.468 -4.553 1.00 0.00 O ATOM 340 CB ALA A 23 -11.599 -2.726 -6.747 1.00 0.00 C ATOM 0 H ALA A 23 -13.270 -3.163 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.247 -4.764 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.737 -2.771 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.444 -2.287 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.357 -2.112 -5.880 1.00 0.00 H new ATOM 346 N VAL A 24 -10.199 -5.863 -6.313 1.00 0.00 N ATOM 347 CA VAL A 24 -9.037 -6.594 -5.839 1.00 0.00 C ATOM 348 C VAL A 24 -7.930 -6.501 -6.875 1.00 0.00 C ATOM 349 O VAL A 24 -8.114 -6.845 -8.045 1.00 0.00 O ATOM 350 CB VAL A 24 -9.342 -8.059 -5.526 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.088 -8.779 -4.983 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.469 -8.123 -4.476 1.00 0.00 C ATOM 0 H VAL A 24 -10.559 -6.204 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.721 -6.135 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.653 -8.558 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.331 -9.820 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.294 -8.738 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.754 -8.288 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.694 -9.165 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.150 -7.612 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.362 -7.638 -4.870 1.00 0.00 H new ATOM 362 N VAL A 25 -6.741 -6.011 -6.471 1.00 0.00 N ATOM 363 CA VAL A 25 -5.568 -5.899 -7.331 1.00 0.00 C ATOM 364 C VAL A 25 -4.350 -6.402 -6.573 1.00 0.00 C ATOM 365 O VAL A 25 -4.366 -6.529 -5.346 1.00 0.00 O ATOM 366 CB VAL A 25 -5.306 -4.482 -7.852 1.00 0.00 C ATOM 367 CG1 VAL A 25 -6.427 -4.080 -8.830 1.00 0.00 C ATOM 368 CG2 VAL A 25 -5.202 -3.467 -6.698 1.00 0.00 C ATOM 0 H VAL A 25 -6.576 -5.679 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.766 -6.508 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.350 -4.476 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.242 -3.072 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.447 -4.777 -9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.387 -4.106 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.016 -2.473 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.135 -3.460 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.381 -3.749 -6.038 1.00 0.00 H new ATOM 378 N GLN A 26 -3.249 -6.734 -7.283 1.00 0.00 N ATOM 379 CA GLN A 26 -2.072 -7.286 -6.636 1.00 0.00 C ATOM 380 C GLN A 26 -0.775 -6.930 -7.352 1.00 0.00 C ATOM 381 O GLN A 26 -0.638 -7.048 -8.573 1.00 0.00 O ATOM 382 CB GLN A 26 -2.208 -8.813 -6.400 1.00 0.00 C ATOM 383 CG GLN A 26 -2.487 -9.675 -7.652 1.00 0.00 C ATOM 384 CD GLN A 26 -2.828 -11.118 -7.276 1.00 0.00 C ATOM 385 OE1 GLN A 26 -3.966 -11.575 -7.398 1.00 0.00 O ATOM 386 NE2 GLN A 26 -1.820 -11.889 -6.810 1.00 0.00 N ATOM 0 H GLN A 26 -3.166 -6.625 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.012 -6.811 -5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.289 -9.171 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.013 -8.979 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.312 -9.241 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.613 -9.665 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.882 -11.499 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.997 -12.861 -6.555 1.00 0.00 H new ATOM 395 N PHE A 27 0.213 -6.443 -6.575 1.00 0.00 N ATOM 396 CA PHE A 27 1.425 -5.825 -7.079 1.00 0.00 C ATOM 397 C PHE A 27 2.664 -6.513 -6.525 1.00 0.00 C ATOM 398 O PHE A 27 2.614 -7.234 -5.530 1.00 0.00 O ATOM 399 CB PHE A 27 1.504 -4.319 -6.687 1.00 0.00 C ATOM 400 CG PHE A 27 0.264 -3.549 -7.070 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.297 -3.641 -8.358 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.348 -2.706 -6.127 1.00 0.00 C ATOM 403 CE1 PHE A 27 -1.457 -2.929 -8.685 1.00 0.00 C ATOM 404 CE2 PHE A 27 -1.503 -1.986 -6.452 1.00 0.00 C ATOM 405 CZ PHE A 27 -2.059 -2.102 -7.732 1.00 0.00 C ATOM 0 H PHE A 27 0.175 -6.476 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 27 1.392 -5.925 -8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.660 -4.236 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.370 -3.867 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.173 -4.268 -9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.078 -2.613 -5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.886 -3.018 -9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.964 -1.343 -5.718 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.954 -1.552 -7.983 1.00 0.00 H new ATOM 415 N LYS A 28 3.825 -6.286 -7.171 1.00 0.00 N ATOM 416 CA LYS A 28 5.112 -6.798 -6.735 1.00 0.00 C ATOM 417 C LYS A 28 6.052 -5.636 -6.450 1.00 0.00 C ATOM 418 O LYS A 28 6.113 -4.676 -7.216 1.00 0.00 O ATOM 419 CB LYS A 28 5.738 -7.726 -7.812 1.00 0.00 C ATOM 420 CG LYS A 28 4.927 -9.017 -8.005 1.00 0.00 C ATOM 421 CD LYS A 28 5.455 -9.968 -9.097 1.00 0.00 C ATOM 422 CE LYS A 28 5.314 -9.436 -10.532 1.00 0.00 C ATOM 423 NZ LYS A 28 5.373 -10.555 -11.486 1.00 0.00 N ATOM 0 H LYS A 28 3.881 -5.730 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 28 4.961 -7.382 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.798 -7.191 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.758 -7.979 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.902 -9.556 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.899 -8.748 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.507 -10.175 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.924 -10.917 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.370 -8.903 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.110 -8.722 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.277 -10.190 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.285 -11.046 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.599 -11.221 -11.289 1.00 0.00 H new ATOM 437 N ILE A 29 6.811 -5.681 -5.335 1.00 0.00 N ATOM 438 CA ILE A 29 7.771 -4.640 -4.978 1.00 0.00 C ATOM 439 C ILE A 29 9.033 -5.293 -4.431 1.00 0.00 C ATOM 440 O ILE A 29 8.965 -6.380 -3.861 1.00 0.00 O ATOM 441 CB ILE A 29 7.174 -3.648 -3.968 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.960 -2.316 -3.902 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.025 -4.302 -2.575 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.361 -1.292 -2.929 1.00 0.00 C ATOM 0 H ILE A 29 6.768 -6.446 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 29 8.022 -4.067 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 29 6.177 -3.389 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.988 -2.526 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.998 -1.877 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.600 -3.580 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.366 -5.167 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.004 -4.621 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.966 -0.385 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.343 -1.052 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.348 -1.710 -1.923 1.00 0.00 H new ATOM 456 N LYS A 30 10.231 -4.669 -4.571 1.00 0.00 N ATOM 457 CA LYS A 30 11.430 -5.098 -3.855 1.00 0.00 C ATOM 458 C LYS A 30 11.253 -4.867 -2.358 1.00 0.00 C ATOM 459 O LYS A 30 10.889 -3.769 -1.938 1.00 0.00 O ATOM 460 CB LYS A 30 12.700 -4.297 -4.262 1.00 0.00 C ATOM 461 CG LYS A 30 13.199 -4.486 -5.705 1.00 0.00 C ATOM 462 CD LYS A 30 14.485 -3.663 -5.944 1.00 0.00 C ATOM 463 CE LYS A 30 15.115 -3.777 -7.341 1.00 0.00 C ATOM 464 NZ LYS A 30 14.420 -2.932 -8.327 1.00 0.00 N ATOM 0 H LYS A 30 10.378 -3.864 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 30 11.562 -6.150 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.499 -3.237 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.508 -4.571 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.395 -5.542 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.425 -4.176 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.260 -2.613 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.228 -3.968 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.165 -3.488 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.086 -4.816 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.875 -3.037 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.424 -3.224 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.469 -1.937 -8.028 1.00 0.00 H new ATOM 478 N LYS A 31 11.492 -5.884 -1.502 1.00 0.00 N ATOM 479 CA LYS A 31 11.131 -5.776 -0.091 1.00 0.00 C ATOM 480 C LYS A 31 11.909 -4.723 0.689 1.00 0.00 C ATOM 481 O LYS A 31 11.379 -4.078 1.587 1.00 0.00 O ATOM 482 CB LYS A 31 11.185 -7.140 0.644 1.00 0.00 C ATOM 483 CG LYS A 31 12.589 -7.717 0.874 1.00 0.00 C ATOM 484 CD LYS A 31 12.568 -9.095 1.555 1.00 0.00 C ATOM 485 CE LYS A 31 12.202 -9.082 3.043 1.00 0.00 C ATOM 486 NZ LYS A 31 12.166 -10.466 3.544 1.00 0.00 N ATOM 0 H LYS A 31 11.925 -6.769 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 31 10.097 -5.433 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.694 -7.030 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.604 -7.863 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.103 -7.799 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.165 -7.024 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.858 -9.732 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.551 -9.553 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.931 -8.498 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.233 -8.605 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.918 -10.463 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.454 -11.009 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.100 -10.905 3.418 1.00 0.00 H new ATOM 500 N HIS A 32 13.180 -4.470 0.339 1.00 0.00 N ATOM 501 CA HIS A 32 13.975 -3.428 0.976 1.00 0.00 C ATOM 502 C HIS A 32 13.745 -2.053 0.349 1.00 0.00 C ATOM 503 O HIS A 32 14.683 -1.352 -0.019 1.00 0.00 O ATOM 504 CB HIS A 32 15.476 -3.793 0.937 1.00 0.00 C ATOM 505 CG HIS A 32 15.756 -5.076 1.673 1.00 0.00 C ATOM 506 ND1 HIS A 32 15.947 -6.318 1.093 1.00 0.00 N ATOM 507 CD2 HIS A 32 15.834 -5.278 3.015 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.131 -7.203 2.105 1.00 0.00 C ATOM 509 NE2 HIS A 32 16.073 -6.617 3.287 1.00 0.00 N ATOM 0 H HIS A 32 13.676 -4.983 -0.390 1.00 0.00 H new ATOM 0 HA HIS A 32 13.647 -3.366 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.800 -3.890 -0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.059 -2.985 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.725 -4.506 3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 32 16.304 -8.259 1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.181 -7.054 4.202 1.00 0.00 H new ATOM 517 N THR A 33 12.472 -1.622 0.214 1.00 0.00 N ATOM 518 CA THR A 33 12.105 -0.284 -0.252 1.00 0.00 C ATOM 519 C THR A 33 10.896 0.196 0.547 1.00 0.00 C ATOM 520 O THR A 33 10.109 -0.644 0.988 1.00 0.00 O ATOM 521 CB THR A 33 11.792 -0.159 -1.754 1.00 0.00 C ATOM 522 OG1 THR A 33 10.724 -0.984 -2.204 1.00 0.00 O ATOM 523 CG2 THR A 33 13.013 -0.522 -2.610 1.00 0.00 C ATOM 0 H THR A 33 11.666 -2.208 0.431 1.00 0.00 H new ATOM 0 HA THR A 33 12.990 0.332 -0.093 1.00 0.00 H new ATOM 0 HB THR A 33 11.503 0.885 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.945 -1.924 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.760 -0.424 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.838 0.149 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.310 -1.550 -2.402 1.00 0.00 H new ATOM 531 N PRO A 34 10.687 1.489 0.804 1.00 0.00 N ATOM 532 CA PRO A 34 9.533 1.947 1.577 1.00 0.00 C ATOM 533 C PRO A 34 8.245 1.938 0.764 1.00 0.00 C ATOM 534 O PRO A 34 8.253 2.219 -0.437 1.00 0.00 O ATOM 535 CB PRO A 34 9.914 3.384 1.974 1.00 0.00 C ATOM 536 CG PRO A 34 10.856 3.842 0.859 1.00 0.00 C ATOM 537 CD PRO A 34 11.638 2.571 0.539 1.00 0.00 C ATOM 0 HA PRO A 34 9.331 1.297 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.035 4.025 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.405 3.412 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.308 4.210 -0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.511 4.649 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.975 2.561 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.527 2.482 1.164 1.00 0.00 H new ATOM 545 N LEU A 35 7.097 1.648 1.407 1.00 0.00 N ATOM 546 CA LEU A 35 5.819 1.474 0.736 1.00 0.00 C ATOM 547 C LEU A 35 5.235 2.786 0.222 1.00 0.00 C ATOM 548 O LEU A 35 4.549 2.832 -0.797 1.00 0.00 O ATOM 549 CB LEU A 35 4.777 0.759 1.639 1.00 0.00 C ATOM 550 CG LEU A 35 5.121 -0.681 2.102 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.658 -1.571 0.970 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.059 -0.729 3.320 1.00 0.00 C ATOM 0 H LEU A 35 7.044 1.529 2.419 1.00 0.00 H new ATOM 0 HA LEU A 35 6.032 0.840 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.619 1.372 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.829 0.725 1.102 1.00 0.00 H new ATOM 0 HG LEU A 35 4.163 -1.094 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.879 -2.564 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.909 -1.650 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.568 -1.131 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.256 -1.767 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.998 -0.233 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.589 -0.221 4.162 1.00 0.00 H new ATOM 564 N ARG A 36 5.535 3.925 0.885 1.00 0.00 N ATOM 565 CA ARG A 36 5.157 5.262 0.454 1.00 0.00 C ATOM 566 C ARG A 36 5.660 5.625 -0.943 1.00 0.00 C ATOM 567 O ARG A 36 5.029 6.392 -1.667 1.00 0.00 O ATOM 568 CB ARG A 36 5.606 6.339 1.478 1.00 0.00 C ATOM 569 CG ARG A 36 5.040 7.761 1.239 1.00 0.00 C ATOM 570 CD ARG A 36 3.509 7.867 1.307 1.00 0.00 C ATOM 571 NE ARG A 36 3.150 9.287 0.984 1.00 0.00 N ATOM 572 CZ ARG A 36 2.681 10.154 1.890 1.00 0.00 C ATOM 573 NH1 ARG A 36 2.273 9.799 3.093 1.00 0.00 N ATOM 574 NH2 ARG A 36 2.572 11.442 1.591 1.00 0.00 N ATOM 0 H ARG A 36 6.062 3.924 1.758 1.00 0.00 H new ATOM 0 HA ARG A 36 4.068 5.247 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.312 6.012 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.695 6.393 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.470 8.436 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.371 8.108 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.044 7.182 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.148 7.594 2.299 1.00 0.00 H new ATOM 0 HE ARG A 36 3.269 9.609 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.306 8.819 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.925 10.504 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.846 11.776 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.214 12.098 2.285 1.00 0.00 H new ATOM 588 N LYS A 37 6.782 5.018 -1.398 1.00 0.00 N ATOM 589 CA LYS A 37 7.244 5.127 -2.771 1.00 0.00 C ATOM 590 C LYS A 37 6.217 4.589 -3.771 1.00 0.00 C ATOM 591 O LYS A 37 5.914 5.227 -4.778 1.00 0.00 O ATOM 592 CB LYS A 37 8.575 4.359 -2.975 1.00 0.00 C ATOM 593 CG LYS A 37 9.232 4.638 -4.342 1.00 0.00 C ATOM 594 CD LYS A 37 10.256 3.582 -4.797 1.00 0.00 C ATOM 595 CE LYS A 37 9.636 2.201 -5.062 1.00 0.00 C ATOM 596 NZ LYS A 37 10.451 1.454 -6.031 1.00 0.00 N ATOM 0 H LYS A 37 7.382 4.441 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 37 7.394 6.191 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.271 4.633 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.388 3.289 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.449 4.712 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.727 5.608 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.747 3.931 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.029 3.484 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.564 1.642 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.621 2.317 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.021 0.522 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.498 1.982 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.411 1.328 -5.653 1.00 0.00 H new ATOM 610 N LEU A 38 5.624 3.411 -3.480 1.00 0.00 N ATOM 611 CA LEU A 38 4.573 2.811 -4.280 1.00 0.00 C ATOM 612 C LEU A 38 3.310 3.659 -4.254 1.00 0.00 C ATOM 613 O LEU A 38 2.767 3.983 -5.305 1.00 0.00 O ATOM 614 CB LEU A 38 4.303 1.347 -3.839 1.00 0.00 C ATOM 615 CG LEU A 38 3.457 0.492 -4.816 1.00 0.00 C ATOM 616 CD1 LEU A 38 3.822 -0.993 -4.682 1.00 0.00 C ATOM 617 CD2 LEU A 38 1.942 0.642 -4.606 1.00 0.00 C ATOM 0 H LEU A 38 5.878 2.853 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 38 4.912 2.777 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.262 0.850 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.799 1.366 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 38 3.693 0.863 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.219 -1.580 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.878 -1.130 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.628 -1.325 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.411 0.016 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.683 0.333 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.656 1.684 -4.752 1.00 0.00 H new ATOM 629 N MET A 39 2.854 4.098 -3.063 1.00 0.00 N ATOM 630 CA MET A 39 1.724 5.016 -2.899 1.00 0.00 C ATOM 631 C MET A 39 1.836 6.301 -3.721 1.00 0.00 C ATOM 632 O MET A 39 0.939 6.641 -4.492 1.00 0.00 O ATOM 633 CB MET A 39 1.545 5.395 -1.407 1.00 0.00 C ATOM 634 CG MET A 39 1.223 4.224 -0.454 1.00 0.00 C ATOM 635 SD MET A 39 -0.426 3.486 -0.696 1.00 0.00 S ATOM 636 CE MET A 39 0.123 2.039 -1.646 1.00 0.00 C ATOM 0 H MET A 39 3.273 3.816 -2.177 1.00 0.00 H new ATOM 0 HA MET A 39 0.857 4.471 -3.272 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.458 5.880 -1.062 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.745 6.132 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.977 3.448 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.302 4.576 0.574 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.701 1.672 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.956 2.321 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.444 1.254 -0.961 1.00 0.00 H new ATOM 646 N ASN A 40 2.976 7.019 -3.607 1.00 0.00 N ATOM 647 CA ASN A 40 3.275 8.217 -4.384 1.00 0.00 C ATOM 648 C ASN A 40 3.321 7.949 -5.889 1.00 0.00 C ATOM 649 O ASN A 40 2.711 8.656 -6.686 1.00 0.00 O ATOM 650 CB ASN A 40 4.638 8.836 -3.962 1.00 0.00 C ATOM 651 CG ASN A 40 4.595 9.440 -2.566 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.545 9.611 -1.919 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.778 9.839 -2.063 1.00 0.00 N ATOM 0 H ASN A 40 3.720 6.767 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 40 2.461 8.911 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.410 8.067 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.922 9.606 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.818 10.285 -1.146 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.634 9.696 -2.598 1.00 0.00 H new ATOM 660 N ALA A 41 4.035 6.896 -6.332 1.00 0.00 N ATOM 661 CA ALA A 41 4.090 6.501 -7.730 1.00 0.00 C ATOM 662 C ALA A 41 2.730 6.118 -8.308 1.00 0.00 C ATOM 663 O ALA A 41 2.398 6.460 -9.442 1.00 0.00 O ATOM 664 CB ALA A 41 5.085 5.337 -7.890 1.00 0.00 C ATOM 0 H ALA A 41 4.589 6.300 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 41 4.424 7.370 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.129 5.038 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.074 5.656 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.757 4.492 -7.285 1.00 0.00 H new ATOM 670 N TYR A 42 1.888 5.415 -7.530 1.00 0.00 N ATOM 671 CA TYR A 42 0.554 5.030 -7.946 1.00 0.00 C ATOM 672 C TYR A 42 -0.374 6.225 -8.116 1.00 0.00 C ATOM 673 O TYR A 42 -1.015 6.360 -9.155 1.00 0.00 O ATOM 674 CB TYR A 42 -0.057 3.981 -6.975 1.00 0.00 C ATOM 675 CG TYR A 42 -0.837 2.969 -7.761 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.179 1.838 -8.273 1.00 0.00 C ATOM 677 CD2 TYR A 42 -2.198 3.159 -8.052 1.00 0.00 C ATOM 678 CE1 TYR A 42 -0.863 0.916 -9.071 1.00 0.00 C ATOM 679 CE2 TYR A 42 -2.887 2.232 -8.848 1.00 0.00 C ATOM 680 CZ TYR A 42 -2.217 1.116 -9.360 1.00 0.00 C ATOM 681 OH TYR A 42 -2.901 0.201 -10.179 1.00 0.00 O ATOM 0 H TYR A 42 2.129 5.102 -6.590 1.00 0.00 H new ATOM 0 HA TYR A 42 0.655 4.569 -8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.734 3.488 -6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.706 4.474 -6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.865 1.679 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.716 4.022 -7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.347 0.052 -9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.934 2.380 -9.065 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.878 -0.688 -9.767 1.00 0.00 H new ATOM 691 N CYS A 43 -0.454 7.157 -7.139 1.00 0.00 N ATOM 692 CA CYS A 43 -1.309 8.337 -7.273 1.00 0.00 C ATOM 693 C CYS A 43 -0.873 9.287 -8.387 1.00 0.00 C ATOM 694 O CYS A 43 -1.713 9.788 -9.137 1.00 0.00 O ATOM 695 CB CYS A 43 -1.565 9.079 -5.928 1.00 0.00 C ATOM 696 SG CYS A 43 -0.116 9.891 -5.169 1.00 0.00 S ATOM 0 H CYS A 43 0.062 7.107 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.275 7.937 -7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.333 9.834 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.970 8.363 -5.213 1.00 0.00 H new ATOM 0 HG CYS A 43 0.971 9.458 -5.736 1.00 0.00 H new ATOM 702 N ASP A 44 0.448 9.487 -8.580 1.00 0.00 N ATOM 703 CA ASP A 44 1.017 10.255 -9.680 1.00 0.00 C ATOM 704 C ASP A 44 0.759 9.656 -11.073 1.00 0.00 C ATOM 705 O ASP A 44 0.804 10.366 -12.081 1.00 0.00 O ATOM 706 CB ASP A 44 2.553 10.421 -9.475 1.00 0.00 C ATOM 707 CG ASP A 44 2.892 11.458 -8.413 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.976 12.203 -7.985 1.00 0.00 O ATOM 709 OD2 ASP A 44 4.098 11.597 -8.085 1.00 0.00 O ATOM 0 H ASP A 44 1.156 9.105 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 44 0.508 11.219 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.984 9.461 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.013 10.710 -10.420 1.00 0.00 H new ATOM 714 N ARG A 45 0.494 8.337 -11.179 1.00 0.00 N ATOM 715 CA ARG A 45 0.061 7.689 -12.414 1.00 0.00 C ATOM 716 C ARG A 45 -1.464 7.645 -12.539 1.00 0.00 C ATOM 717 O ARG A 45 -2.024 7.906 -13.604 1.00 0.00 O ATOM 718 CB ARG A 45 0.656 6.258 -12.569 1.00 0.00 C ATOM 719 CG ARG A 45 2.044 6.237 -13.251 1.00 0.00 C ATOM 720 CD ARG A 45 3.225 6.648 -12.361 1.00 0.00 C ATOM 721 NE ARG A 45 4.355 7.069 -13.258 1.00 0.00 N ATOM 722 CZ ARG A 45 4.450 8.299 -13.780 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.572 9.248 -13.478 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.419 8.592 -14.637 1.00 0.00 N ATOM 0 H ARG A 45 0.579 7.692 -10.393 1.00 0.00 H new ATOM 0 HA ARG A 45 0.449 8.304 -13.226 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.737 5.798 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.035 5.647 -13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.229 5.231 -13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.015 6.901 -14.115 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.938 7.466 -11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.531 5.817 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 45 5.082 6.388 -13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.805 9.048 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.665 10.177 -13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.098 7.879 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.485 9.531 -15.031 1.00 0.00 H new ATOM 738 N ALA A 46 -2.194 7.299 -11.468 1.00 0.00 N ATOM 739 CA ALA A 46 -3.642 7.193 -11.467 1.00 0.00 C ATOM 740 C ALA A 46 -4.373 8.525 -11.642 1.00 0.00 C ATOM 741 O ALA A 46 -5.267 8.655 -12.480 1.00 0.00 O ATOM 742 CB ALA A 46 -4.093 6.513 -10.160 1.00 0.00 C ATOM 0 H ALA A 46 -1.775 7.082 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.911 6.596 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.180 6.429 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.651 5.519 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.767 7.110 -9.308 1.00 0.00 H new ATOM 748 N GLY A 47 -4.000 9.549 -10.850 1.00 0.00 N ATOM 749 CA GLY A 47 -4.682 10.837 -10.826 1.00 0.00 C ATOM 750 C GLY A 47 -5.830 10.839 -9.858 1.00 0.00 C ATOM 751 O GLY A 47 -6.981 11.047 -10.231 1.00 0.00 O ATOM 0 H GLY A 47 -3.210 9.495 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.974 11.619 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.048 11.074 -11.825 1.00 0.00 H new ATOM 755 N LEU A 48 -5.537 10.606 -8.573 1.00 0.00 N ATOM 756 CA LEU A 48 -6.529 10.557 -7.520 1.00 0.00 C ATOM 757 C LEU A 48 -5.904 11.075 -6.244 1.00 0.00 C ATOM 758 O LEU A 48 -4.715 11.397 -6.203 1.00 0.00 O ATOM 759 CB LEU A 48 -7.137 9.135 -7.344 1.00 0.00 C ATOM 760 CG LEU A 48 -6.150 7.956 -7.151 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.510 7.883 -5.756 1.00 0.00 C ATOM 762 CD2 LEU A 48 -6.877 6.634 -7.431 1.00 0.00 C ATOM 0 H LEU A 48 -4.586 10.445 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.370 11.195 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.806 9.159 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.751 8.921 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.336 8.130 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.834 7.029 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.951 8.799 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.290 7.769 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.185 5.803 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.714 6.526 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.249 6.633 -8.455 1.00 0.00 H new ATOM 774 N SER A 49 -6.690 11.205 -5.160 1.00 0.00 N ATOM 775 CA SER A 49 -6.199 11.699 -3.883 1.00 0.00 C ATOM 776 C SER A 49 -6.022 10.569 -2.895 1.00 0.00 C ATOM 777 O SER A 49 -6.872 9.690 -2.775 1.00 0.00 O ATOM 778 CB SER A 49 -7.148 12.743 -3.238 1.00 0.00 C ATOM 779 OG SER A 49 -7.580 13.701 -4.207 1.00 0.00 O ATOM 0 H SER A 49 -7.682 10.968 -5.156 1.00 0.00 H new ATOM 0 HA SER A 49 -5.243 12.175 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.013 12.238 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.636 13.251 -2.421 1.00 0.00 H new ATOM 0 HG SER A 49 -8.179 14.350 -3.781 1.00 0.00 H new ATOM 785 N MET A 50 -4.921 10.569 -2.120 1.00 0.00 N ATOM 786 CA MET A 50 -4.615 9.542 -1.132 1.00 0.00 C ATOM 787 C MET A 50 -5.635 9.504 0.003 1.00 0.00 C ATOM 788 O MET A 50 -6.061 8.450 0.470 1.00 0.00 O ATOM 789 CB MET A 50 -3.193 9.779 -0.564 1.00 0.00 C ATOM 790 CG MET A 50 -2.635 8.669 0.358 1.00 0.00 C ATOM 791 SD MET A 50 -1.998 7.186 -0.489 1.00 0.00 S ATOM 792 CE MET A 50 -3.523 6.203 -0.598 1.00 0.00 C ATOM 0 H MET A 50 -4.212 11.301 -2.172 1.00 0.00 H new ATOM 0 HA MET A 50 -4.661 8.575 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.506 9.907 -1.401 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.197 10.717 -0.008 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.833 9.093 0.962 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.424 8.362 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.306 5.165 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.262 6.599 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.918 6.255 -1.613 1.00 0.00 H new ATOM 802 N GLN A 51 -6.094 10.704 0.409 1.00 0.00 N ATOM 803 CA GLN A 51 -7.132 11.020 1.379 1.00 0.00 C ATOM 804 C GLN A 51 -8.351 10.098 1.416 1.00 0.00 C ATOM 805 O GLN A 51 -8.832 9.714 2.483 1.00 0.00 O ATOM 806 CB GLN A 51 -7.632 12.454 1.055 1.00 0.00 C ATOM 807 CG GLN A 51 -6.551 13.558 1.190 1.00 0.00 C ATOM 808 CD GLN A 51 -6.500 14.128 2.608 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.692 13.747 3.456 1.00 0.00 O ATOM 810 NE2 GLN A 51 -7.407 15.090 2.875 1.00 0.00 N ATOM 0 H GLN A 51 -5.697 11.558 0.017 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.665 10.901 2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.022 12.468 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.463 12.694 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.576 13.147 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.760 14.360 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.064 15.386 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.436 15.522 3.799 1.00 0.00 H new ATOM 819 N VAL A 52 -8.894 9.730 0.238 1.00 0.00 N ATOM 820 CA VAL A 52 -10.123 8.966 0.116 1.00 0.00 C ATOM 821 C VAL A 52 -9.898 7.468 -0.045 1.00 0.00 C ATOM 822 O VAL A 52 -10.854 6.696 -0.077 1.00 0.00 O ATOM 823 CB VAL A 52 -10.993 9.479 -1.033 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.426 10.925 -0.727 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.253 9.408 -2.382 1.00 0.00 C ATOM 0 H VAL A 52 -8.474 9.966 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.644 9.115 1.062 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.872 8.841 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.047 11.299 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.995 10.945 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.543 11.556 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.903 9.781 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.351 10.019 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.980 8.374 -2.593 1.00 0.00 H new ATOM 835 N VAL A 53 -8.633 7.005 -0.147 1.00 0.00 N ATOM 836 CA VAL A 53 -8.298 5.600 -0.335 1.00 0.00 C ATOM 837 C VAL A 53 -7.672 5.060 0.947 1.00 0.00 C ATOM 838 O VAL A 53 -6.455 4.987 1.108 1.00 0.00 O ATOM 839 CB VAL A 53 -7.360 5.392 -1.527 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.150 3.889 -1.793 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.957 6.066 -2.780 1.00 0.00 C ATOM 0 H VAL A 53 -7.816 7.613 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.214 5.052 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.395 5.842 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.481 3.760 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.711 3.421 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.110 3.421 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.288 5.917 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.928 5.624 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.077 7.134 -2.596 1.00 0.00 H new ATOM 851 N ARG A 54 -8.496 4.681 1.942 1.00 0.00 N ATOM 852 CA ARG A 54 -7.987 4.394 3.271 1.00 0.00 C ATOM 853 C ARG A 54 -7.602 2.944 3.502 1.00 0.00 C ATOM 854 O ARG A 54 -8.414 2.069 3.795 1.00 0.00 O ATOM 855 CB ARG A 54 -8.959 4.893 4.366 1.00 0.00 C ATOM 856 CG ARG A 54 -9.067 6.435 4.414 1.00 0.00 C ATOM 857 CD ARG A 54 -7.745 7.135 4.765 1.00 0.00 C ATOM 858 NE ARG A 54 -8.055 8.587 4.913 1.00 0.00 N ATOM 859 CZ ARG A 54 -7.529 9.392 5.839 1.00 0.00 C ATOM 860 NH1 ARG A 54 -6.546 9.001 6.636 1.00 0.00 N ATOM 861 NH2 ARG A 54 -8.018 10.617 5.980 1.00 0.00 N ATOM 0 H ARG A 54 -9.505 4.571 1.840 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.054 4.953 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.948 4.469 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.625 4.526 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.414 6.797 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.822 6.715 5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.327 6.732 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.003 6.975 3.983 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.720 8.996 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.167 8.058 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.168 9.643 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.785 10.932 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.627 11.244 6.683 1.00 0.00 H new ATOM 875 N PHE A 55 -6.296 2.670 3.413 1.00 0.00 N ATOM 876 CA PHE A 55 -5.657 1.411 3.732 1.00 0.00 C ATOM 877 C PHE A 55 -5.571 1.142 5.241 1.00 0.00 C ATOM 878 O PHE A 55 -5.381 2.059 6.041 1.00 0.00 O ATOM 879 CB PHE A 55 -4.237 1.369 3.088 1.00 0.00 C ATOM 880 CG PHE A 55 -3.417 2.597 3.430 1.00 0.00 C ATOM 881 CD1 PHE A 55 -2.634 2.635 4.598 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.459 3.739 2.607 1.00 0.00 C ATOM 883 CE1 PHE A 55 -1.941 3.798 4.958 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.770 4.904 2.965 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.020 4.936 4.145 1.00 0.00 C ATOM 0 H PHE A 55 -5.626 3.371 3.096 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.280 0.619 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.712 0.477 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.333 1.288 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.566 1.758 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.029 3.716 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.347 3.817 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.818 5.777 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.501 5.839 4.430 1.00 0.00 H new ATOM 895 N ARG A 56 -5.722 -0.127 5.661 1.00 0.00 N ATOM 896 CA ARG A 56 -5.372 -0.603 6.989 1.00 0.00 C ATOM 897 C ARG A 56 -4.698 -1.966 6.843 1.00 0.00 C ATOM 898 O ARG A 56 -5.070 -2.770 5.993 1.00 0.00 O ATOM 899 CB ARG A 56 -6.602 -0.712 7.939 1.00 0.00 C ATOM 900 CG ARG A 56 -6.975 0.622 8.635 1.00 0.00 C ATOM 901 CD ARG A 56 -8.473 0.947 8.697 1.00 0.00 C ATOM 902 NE ARG A 56 -8.891 1.179 7.275 1.00 0.00 N ATOM 903 CZ ARG A 56 -9.723 0.355 6.639 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.663 -0.358 7.234 1.00 0.00 N ATOM 905 NH2 ARG A 56 -9.529 0.082 5.356 1.00 0.00 N ATOM 0 H ARG A 56 -6.102 -0.860 5.062 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.699 0.123 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.460 -1.065 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.395 -1.463 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.585 0.600 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.467 1.435 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.035 0.126 9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.658 1.829 9.310 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.527 1.993 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.787 -0.297 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.265 -0.969 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.744 0.502 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.164 -0.548 4.867 1.00 0.00 H new ATOM 919 N PHE A 57 -3.673 -2.239 7.666 1.00 0.00 N ATOM 920 CA PHE A 57 -2.897 -3.469 7.670 1.00 0.00 C ATOM 921 C PHE A 57 -3.223 -4.184 8.971 1.00 0.00 C ATOM 922 O PHE A 57 -3.126 -3.577 10.034 1.00 0.00 O ATOM 923 CB PHE A 57 -1.381 -3.116 7.586 1.00 0.00 C ATOM 924 CG PHE A 57 -0.474 -4.310 7.766 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.116 -5.122 6.679 1.00 0.00 C ATOM 926 CD2 PHE A 57 0.023 -4.628 9.045 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.723 -6.228 6.865 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.859 -5.735 9.235 1.00 0.00 C ATOM 929 CZ PHE A 57 1.210 -6.535 8.141 1.00 0.00 C ATOM 0 H PHE A 57 -3.357 -1.575 8.373 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.136 -4.109 6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.176 -2.656 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.146 -2.373 8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.490 -4.893 5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.244 -4.010 9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.995 -6.846 6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.231 -5.971 10.221 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.856 -7.389 8.281 1.00 0.00 H new ATOM 939 N ASP A 58 -3.661 -5.464 8.925 1.00 0.00 N ATOM 940 CA ASP A 58 -4.024 -6.248 10.104 1.00 0.00 C ATOM 941 C ASP A 58 -5.196 -5.614 10.889 1.00 0.00 C ATOM 942 O ASP A 58 -5.378 -5.771 12.097 1.00 0.00 O ATOM 943 CB ASP A 58 -2.738 -6.520 10.939 1.00 0.00 C ATOM 944 CG ASP A 58 -2.917 -7.589 11.977 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.316 -8.729 11.630 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.622 -7.323 13.171 1.00 0.00 O ATOM 0 H ASP A 58 -3.770 -5.978 8.051 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.422 -7.218 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.931 -6.809 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.429 -5.596 11.429 1.00 0.00 H new ATOM 951 N GLY A 59 -6.031 -4.832 10.174 1.00 0.00 N ATOM 952 CA GLY A 59 -7.076 -3.989 10.737 1.00 0.00 C ATOM 953 C GLY A 59 -6.605 -2.685 11.354 1.00 0.00 C ATOM 954 O GLY A 59 -7.422 -1.930 11.875 1.00 0.00 O ATOM 0 H GLY A 59 -5.985 -4.777 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.795 -3.759 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.607 -4.560 11.499 1.00 0.00 H new ATOM 958 N GLN A 60 -5.298 -2.371 11.331 1.00 0.00 N ATOM 959 CA GLN A 60 -4.698 -1.238 12.024 1.00 0.00 C ATOM 960 C GLN A 60 -4.143 -0.180 11.056 1.00 0.00 C ATOM 961 O GLN A 60 -3.820 -0.505 9.910 1.00 0.00 O ATOM 962 CB GLN A 60 -3.540 -1.749 12.921 1.00 0.00 C ATOM 963 CG GLN A 60 -4.005 -2.779 13.975 1.00 0.00 C ATOM 964 CD GLN A 60 -2.854 -3.260 14.856 1.00 0.00 C ATOM 965 OE1 GLN A 60 -1.678 -3.315 14.451 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.168 -3.646 16.105 1.00 0.00 N ATOM 0 H GLN A 60 -4.616 -2.922 10.810 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.481 -0.766 12.617 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.773 -2.201 12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.078 -0.901 13.428 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.778 -2.333 14.601 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.457 -3.634 13.471 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.135 -3.597 16.426 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.439 -3.988 16.731 1.00 0.00 H new ATOM 975 N PRO A 61 -3.999 1.101 11.414 1.00 0.00 N ATOM 976 CA PRO A 61 -3.202 2.043 10.631 1.00 0.00 C ATOM 977 C PRO A 61 -1.712 1.786 10.827 1.00 0.00 C ATOM 978 O PRO A 61 -1.311 1.191 11.827 1.00 0.00 O ATOM 979 CB PRO A 61 -3.619 3.401 11.218 1.00 0.00 C ATOM 980 CG PRO A 61 -3.902 3.101 12.693 1.00 0.00 C ATOM 981 CD PRO A 61 -4.512 1.699 12.652 1.00 0.00 C ATOM 0 HA PRO A 61 -3.367 1.971 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.828 4.143 11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.501 3.798 10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.991 3.127 13.291 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.589 3.827 13.127 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.219 1.115 13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.601 1.742 12.649 1.00 0.00 H new ATOM 989 N ILE A 62 -0.854 2.219 9.887 1.00 0.00 N ATOM 990 CA ILE A 62 0.551 1.852 9.899 1.00 0.00 C ATOM 991 C ILE A 62 1.365 2.934 9.207 1.00 0.00 C ATOM 992 O ILE A 62 0.839 3.704 8.400 1.00 0.00 O ATOM 993 CB ILE A 62 0.750 0.474 9.253 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.125 -0.151 9.579 1.00 0.00 C ATOM 995 CG2 ILE A 62 0.472 0.522 7.732 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.169 -1.651 9.274 1.00 0.00 C ATOM 0 H ILE A 62 -1.122 2.825 9.112 1.00 0.00 H new ATOM 0 HA ILE A 62 0.903 1.775 10.928 1.00 0.00 H new ATOM 0 HB ILE A 62 0.012 -0.192 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.898 0.357 9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.354 0.010 10.632 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.621 -0.469 7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.556 0.841 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.155 1.228 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.156 -2.043 9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.415 -2.166 9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.968 -1.813 8.215 1.00 0.00 H new ATOM 1008 N ASN A 63 2.681 3.034 9.494 1.00 0.00 N ATOM 1009 CA ASN A 63 3.579 3.941 8.799 1.00 0.00 C ATOM 1010 C ASN A 63 3.809 3.473 7.357 1.00 0.00 C ATOM 1011 O ASN A 63 4.188 2.337 7.089 1.00 0.00 O ATOM 1012 CB ASN A 63 4.918 4.078 9.585 1.00 0.00 C ATOM 1013 CG ASN A 63 5.944 4.976 8.892 1.00 0.00 C ATOM 1014 OD1 ASN A 63 5.606 5.820 8.049 1.00 0.00 O ATOM 1015 ND2 ASN A 63 7.240 4.778 9.205 1.00 0.00 N ATOM 0 H ASN A 63 3.138 2.480 10.219 1.00 0.00 H new ATOM 0 HA ASN A 63 3.120 4.928 8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.708 4.478 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.350 3.087 9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.966 5.328 8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.495 4.078 9.902 1.00 0.00 H new ATOM 1022 N GLU A 64 3.594 4.377 6.388 1.00 0.00 N ATOM 1023 CA GLU A 64 3.752 4.099 4.975 1.00 0.00 C ATOM 1024 C GLU A 64 5.210 4.101 4.560 1.00 0.00 C ATOM 1025 O GLU A 64 5.628 3.426 3.624 1.00 0.00 O ATOM 1026 CB GLU A 64 3.044 5.204 4.168 1.00 0.00 C ATOM 1027 CG GLU A 64 1.555 5.395 4.538 1.00 0.00 C ATOM 1028 CD GLU A 64 1.242 6.870 4.645 1.00 0.00 C ATOM 1029 OE1 GLU A 64 1.085 7.525 3.591 1.00 0.00 O ATOM 1030 OE2 GLU A 64 1.227 7.399 5.788 1.00 0.00 O ATOM 0 H GLU A 64 3.301 5.335 6.581 1.00 0.00 H new ATOM 0 HA GLU A 64 3.327 3.114 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.570 6.146 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.117 4.968 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.920 4.933 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.339 4.898 5.484 1.00 0.00 H new ATOM 1037 N ASN A 65 6.046 4.893 5.252 1.00 0.00 N ATOM 1038 CA ASN A 65 7.456 5.038 4.952 1.00 0.00 C ATOM 1039 C ASN A 65 8.272 3.897 5.569 1.00 0.00 C ATOM 1040 O ASN A 65 9.489 3.828 5.425 1.00 0.00 O ATOM 1041 CB ASN A 65 7.899 6.438 5.465 1.00 0.00 C ATOM 1042 CG ASN A 65 9.299 6.811 4.987 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.543 6.970 3.789 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.237 6.958 5.949 1.00 0.00 N ATOM 0 H ASN A 65 5.743 5.455 6.047 1.00 0.00 H new ATOM 0 HA ASN A 65 7.634 4.975 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.188 7.190 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.874 6.448 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.192 7.211 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.990 6.816 6.928 1.00 0.00 H new ATOM 1051 N ASP A 66 7.605 2.957 6.264 1.00 0.00 N ATOM 1052 CA ASP A 66 8.256 1.900 6.993 1.00 0.00 C ATOM 1053 C ASP A 66 8.698 0.723 6.130 1.00 0.00 C ATOM 1054 O ASP A 66 8.650 0.732 4.899 1.00 0.00 O ATOM 1055 CB ASP A 66 7.331 1.421 8.139 1.00 0.00 C ATOM 1056 CG ASP A 66 8.121 1.336 9.423 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.001 0.442 9.526 1.00 0.00 O ATOM 1058 OD2 ASP A 66 7.879 2.180 10.324 1.00 0.00 O ATOM 0 H ASP A 66 6.587 2.927 6.324 1.00 0.00 H new ATOM 0 HA ASP A 66 9.177 2.321 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.496 2.111 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.907 0.447 7.895 1.00 0.00 H new ATOM 1063 N THR A 67 9.200 -0.325 6.805 1.00 0.00 N ATOM 1064 CA THR A 67 9.957 -1.395 6.179 1.00 0.00 C ATOM 1065 C THR A 67 9.357 -2.770 6.478 1.00 0.00 C ATOM 1066 O THR A 67 9.055 -3.060 7.638 1.00 0.00 O ATOM 1067 CB THR A 67 11.426 -1.379 6.599 1.00 0.00 C ATOM 1068 OG1 THR A 67 11.598 -1.444 8.013 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.099 -0.081 6.133 1.00 0.00 C ATOM 0 H THR A 67 9.084 -0.444 7.811 1.00 0.00 H new ATOM 0 HA THR A 67 9.900 -1.214 5.106 1.00 0.00 H new ATOM 0 HB THR A 67 11.874 -2.259 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.554 -1.432 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.145 -0.083 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.039 -0.010 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.592 0.773 6.581 1.00 0.00 H new ATOM 1077 N PRO A 68 9.163 -3.697 5.533 1.00 0.00 N ATOM 1078 CA PRO A 68 8.652 -5.037 5.841 1.00 0.00 C ATOM 1079 C PRO A 68 9.724 -5.937 6.445 1.00 0.00 C ATOM 1080 O PRO A 68 9.435 -7.095 6.751 1.00 0.00 O ATOM 1081 CB PRO A 68 8.151 -5.557 4.485 1.00 0.00 C ATOM 1082 CG PRO A 68 9.034 -4.842 3.464 1.00 0.00 C ATOM 1083 CD PRO A 68 9.250 -3.463 4.088 1.00 0.00 C ATOM 0 HA PRO A 68 7.866 -5.020 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.252 -6.640 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.097 -5.324 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.977 -5.366 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.547 -4.771 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.219 -3.049 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.493 -2.753 3.754 1.00 0.00 H new ATOM 1091 N THR A 69 10.952 -5.431 6.655 1.00 0.00 N ATOM 1092 CA THR A 69 11.983 -6.010 7.513 1.00 0.00 C ATOM 1093 C THR A 69 11.655 -5.771 8.969 1.00 0.00 C ATOM 1094 O THR A 69 11.768 -6.676 9.785 1.00 0.00 O ATOM 1095 CB THR A 69 13.372 -5.447 7.252 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.311 -4.043 7.031 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.905 -6.071 5.959 1.00 0.00 C ATOM 0 H THR A 69 11.260 -4.568 6.207 1.00 0.00 H new ATOM 0 HA THR A 69 11.994 -7.074 7.278 1.00 0.00 H new ATOM 0 HB THR A 69 14.004 -5.665 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.213 -3.698 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.902 -5.682 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.955 -7.154 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.239 -5.822 5.133 1.00 0.00 H new ATOM 1105 N SER A 70 11.179 -4.560 9.333 1.00 0.00 N ATOM 1106 CA SER A 70 10.661 -4.250 10.669 1.00 0.00 C ATOM 1107 C SER A 70 9.471 -5.122 11.031 1.00 0.00 C ATOM 1108 O SER A 70 9.420 -5.764 12.078 1.00 0.00 O ATOM 1109 CB SER A 70 10.239 -2.758 10.784 1.00 0.00 C ATOM 1110 OG SER A 70 9.863 -2.402 12.114 1.00 0.00 O ATOM 0 H SER A 70 11.147 -3.766 8.694 1.00 0.00 H new ATOM 0 HA SER A 70 11.476 -4.452 11.365 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.064 -2.123 10.460 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.405 -2.566 10.109 1.00 0.00 H new ATOM 0 HG SER A 70 9.607 -1.456 12.140 1.00 0.00 H new ATOM 1116 N LEU A 71 8.488 -5.209 10.114 1.00 0.00 N ATOM 1117 CA LEU A 71 7.290 -6.012 10.286 1.00 0.00 C ATOM 1118 C LEU A 71 7.510 -7.521 10.212 1.00 0.00 C ATOM 1119 O LEU A 71 6.674 -8.299 10.660 1.00 0.00 O ATOM 1120 CB LEU A 71 6.242 -5.636 9.205 1.00 0.00 C ATOM 1121 CG LEU A 71 5.912 -4.129 9.117 1.00 0.00 C ATOM 1122 CD1 LEU A 71 4.933 -3.873 7.961 1.00 0.00 C ATOM 1123 CD2 LEU A 71 5.345 -3.580 10.437 1.00 0.00 C ATOM 0 H LEU A 71 8.517 -4.711 9.224 1.00 0.00 H new ATOM 0 HA LEU A 71 6.947 -5.786 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.607 -5.971 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.321 -6.184 9.406 1.00 0.00 H new ATOM 0 HG LEU A 71 6.844 -3.598 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.706 -2.808 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.385 -4.197 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.013 -4.432 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.129 -2.517 10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.428 -4.113 10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.076 -3.720 11.233 1.00 0.00 H new ATOM 1135 N GLU A 72 8.637 -7.965 9.620 1.00 0.00 N ATOM 1136 CA GLU A 72 8.994 -9.360 9.404 1.00 0.00 C ATOM 1137 C GLU A 72 7.961 -10.186 8.641 1.00 0.00 C ATOM 1138 O GLU A 72 7.557 -11.277 9.039 1.00 0.00 O ATOM 1139 CB GLU A 72 9.479 -10.053 10.705 1.00 0.00 C ATOM 1140 CG GLU A 72 10.683 -9.313 11.336 1.00 0.00 C ATOM 1141 CD GLU A 72 11.303 -10.062 12.494 1.00 0.00 C ATOM 1142 OE1 GLU A 72 11.792 -11.203 12.285 1.00 0.00 O ATOM 1143 OE2 GLU A 72 11.389 -9.505 13.624 1.00 0.00 O ATOM 0 H GLU A 72 9.347 -7.323 9.268 1.00 0.00 H new ATOM 0 HA GLU A 72 9.845 -9.319 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.660 -10.092 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.760 -11.083 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.441 -9.148 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.358 -8.331 11.679 1.00 0.00 H new ATOM 1150 N MET A 73 7.523 -9.680 7.473 1.00 0.00 N ATOM 1151 CA MET A 73 6.593 -10.385 6.608 1.00 0.00 C ATOM 1152 C MET A 73 7.312 -11.186 5.526 1.00 0.00 C ATOM 1153 O MET A 73 8.415 -10.843 5.099 1.00 0.00 O ATOM 1154 CB MET A 73 5.571 -9.407 5.973 1.00 0.00 C ATOM 1155 CG MET A 73 4.605 -8.800 7.014 1.00 0.00 C ATOM 1156 SD MET A 73 3.474 -10.023 7.751 1.00 0.00 S ATOM 1157 CE MET A 73 3.701 -9.477 9.468 1.00 0.00 C ATOM 0 H MET A 73 7.811 -8.770 7.113 1.00 0.00 H new ATOM 0 HA MET A 73 6.051 -11.093 7.235 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.108 -8.603 5.469 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.995 -9.933 5.211 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.186 -8.329 7.807 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.018 -8.014 6.539 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.989 -9.994 10.111 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.716 -9.706 9.792 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.534 -8.402 9.533 1.00 0.00 H new ATOM 1167 N GLU A 74 6.691 -12.298 5.079 1.00 0.00 N ATOM 1168 CA GLU A 74 7.233 -13.235 4.110 1.00 0.00 C ATOM 1169 C GLU A 74 6.782 -12.905 2.682 1.00 0.00 C ATOM 1170 O GLU A 74 7.354 -12.017 2.051 1.00 0.00 O ATOM 1171 CB GLU A 74 6.951 -14.698 4.564 1.00 0.00 C ATOM 1172 CG GLU A 74 5.521 -15.004 5.092 1.00 0.00 C ATOM 1173 CD GLU A 74 5.482 -16.315 5.860 1.00 0.00 C ATOM 1174 OE1 GLU A 74 5.748 -17.395 5.270 1.00 0.00 O ATOM 1175 OE2 GLU A 74 5.175 -16.290 7.078 1.00 0.00 O ATOM 0 H GLU A 74 5.762 -12.565 5.405 1.00 0.00 H new ATOM 0 HA GLU A 74 8.318 -13.134 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.151 -15.360 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.665 -14.954 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.189 -14.192 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.825 -15.050 4.255 1.00 0.00 H new ATOM 1182 N GLU A 75 5.761 -13.585 2.124 1.00 0.00 N ATOM 1183 CA GLU A 75 5.090 -13.146 0.908 1.00 0.00 C ATOM 1184 C GLU A 75 3.597 -13.196 1.153 1.00 0.00 C ATOM 1185 O GLU A 75 3.130 -13.918 2.034 1.00 0.00 O ATOM 1186 CB GLU A 75 5.490 -13.945 -0.374 1.00 0.00 C ATOM 1187 CG GLU A 75 4.714 -15.261 -0.705 1.00 0.00 C ATOM 1188 CD GLU A 75 3.651 -15.140 -1.796 1.00 0.00 C ATOM 1189 OE1 GLU A 75 3.155 -14.024 -2.086 1.00 0.00 O ATOM 1190 OE2 GLU A 75 3.312 -16.180 -2.424 1.00 0.00 O ATOM 0 H GLU A 75 5.387 -14.451 2.511 1.00 0.00 H new ATOM 0 HA GLU A 75 5.415 -12.127 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.386 -13.275 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.548 -14.196 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.435 -16.021 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.235 -15.619 0.206 1.00 0.00 H new ATOM 1197 N GLY A 76 2.806 -12.416 0.395 1.00 0.00 N ATOM 1198 CA GLY A 76 1.351 -12.463 0.466 1.00 0.00 C ATOM 1199 C GLY A 76 0.769 -11.509 1.462 1.00 0.00 C ATOM 1200 O GLY A 76 0.064 -11.906 2.391 1.00 0.00 O ATOM 0 H GLY A 76 3.165 -11.740 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.940 -12.242 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.040 -13.476 0.721 1.00 0.00 H new ATOM 1204 N ASP A 77 1.011 -10.203 1.259 1.00 0.00 N ATOM 1205 CA ASP A 77 0.383 -9.174 2.061 1.00 0.00 C ATOM 1206 C ASP A 77 -1.083 -9.015 1.646 1.00 0.00 C ATOM 1207 O ASP A 77 -1.469 -9.350 0.523 1.00 0.00 O ATOM 1208 CB ASP A 77 1.176 -7.852 1.918 1.00 0.00 C ATOM 1209 CG ASP A 77 1.065 -7.010 3.174 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.089 -6.764 3.609 1.00 0.00 O ATOM 1211 OD2 ASP A 77 2.132 -6.622 3.706 1.00 0.00 O ATOM 0 H ASP A 77 1.642 -9.848 0.540 1.00 0.00 H new ATOM 0 HA ASP A 77 0.396 -9.457 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.224 -8.073 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.799 -7.289 1.064 1.00 0.00 H new ATOM 1216 N THR A 78 -1.928 -8.534 2.564 1.00 0.00 N ATOM 1217 CA THR A 78 -3.372 -8.415 2.381 1.00 0.00 C ATOM 1218 C THR A 78 -3.829 -7.139 3.036 1.00 0.00 C ATOM 1219 O THR A 78 -4.334 -7.143 4.158 1.00 0.00 O ATOM 1220 CB THR A 78 -4.229 -9.562 2.939 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.890 -9.919 4.277 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.044 -10.812 2.067 1.00 0.00 C ATOM 0 H THR A 78 -1.614 -8.209 3.478 1.00 0.00 H new ATOM 0 HA THR A 78 -3.521 -8.438 1.301 1.00 0.00 H new ATOM 0 HB THR A 78 -5.259 -9.204 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.905 -9.119 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.652 -11.625 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.354 -10.592 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.995 -11.107 2.073 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.668 -6.001 2.347 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.005 -4.704 2.902 1.00 0.00 C ATOM 1232 C ILE A 79 -5.436 -4.327 2.528 1.00 0.00 C ATOM 1233 O ILE A 79 -5.839 -4.332 1.361 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.945 -3.658 2.546 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -2.985 -2.460 3.522 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.016 -3.228 1.063 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -1.756 -1.550 3.417 1.00 0.00 C ATOM 0 H ILE A 79 -3.302 -5.964 1.396 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.989 -4.749 3.991 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.970 -4.130 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.882 -1.872 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.065 -2.834 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.244 -2.485 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.859 -4.097 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.996 -2.798 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.849 -0.730 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.857 -2.125 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.687 -1.147 2.407 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.291 -4.040 3.528 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.704 -3.800 3.293 1.00 0.00 C ATOM 1251 C GLU A 80 -7.980 -2.316 3.104 1.00 0.00 C ATOM 1252 O GLU A 80 -7.460 -1.449 3.812 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.597 -4.459 4.376 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.398 -3.942 5.824 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.575 -3.158 6.361 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.280 -2.458 5.589 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.803 -3.201 7.600 1.00 0.00 O ATOM 0 H GLU A 80 -6.013 -3.971 4.507 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.978 -4.289 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.641 -4.311 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.414 -5.533 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.210 -4.792 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.509 -3.312 5.856 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.772 -1.971 2.072 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.988 -0.595 1.654 1.00 0.00 C ATOM 1266 C VAL A 81 -10.450 -0.225 1.760 1.00 0.00 C ATOM 1267 O VAL A 81 -11.331 -0.865 1.190 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.464 -0.334 0.244 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.886 1.050 -0.291 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.928 -0.416 0.284 1.00 0.00 C ATOM 0 H VAL A 81 -9.279 -2.653 1.508 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.419 0.041 2.332 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.888 -1.082 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.489 1.188 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.974 1.113 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.494 1.828 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.528 -0.233 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.541 0.334 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.625 -1.408 0.620 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.744 0.862 2.495 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.055 1.464 2.544 1.00 0.00 C ATOM 1282 C TYR A 82 -12.012 2.719 1.690 1.00 0.00 C ATOM 1283 O TYR A 82 -11.378 3.711 2.051 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.427 1.830 4.011 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.770 1.286 4.419 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.952 1.930 4.015 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.859 0.173 5.271 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -16.200 1.498 4.492 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.101 -0.253 5.756 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.269 0.421 5.381 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.502 0.041 5.940 1.00 0.00 O ATOM 0 H TYR A 82 -10.055 1.342 3.075 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.807 0.769 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.662 1.442 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.429 2.914 4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.900 2.765 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.962 -0.358 5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.104 1.996 4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.158 -1.103 6.420 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.369 -0.726 6.535 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.680 2.712 0.524 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.928 3.936 -0.212 1.00 0.00 C ATOM 1303 C GLN A 83 -14.224 4.570 0.303 1.00 0.00 C ATOM 1304 O GLN A 83 -14.987 3.949 1.048 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.018 3.652 -1.735 1.00 0.00 C ATOM 1306 CG GLN A 83 -12.556 4.842 -2.613 1.00 0.00 C ATOM 1307 CD GLN A 83 -12.903 4.731 -4.101 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -12.990 5.763 -4.775 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -13.120 3.512 -4.634 1.00 0.00 N ATOM 0 H GLN A 83 -13.051 1.870 0.083 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.101 4.629 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.409 2.779 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.048 3.401 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.001 5.756 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.475 4.946 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.040 2.679 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.364 3.423 -5.620 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.553 5.815 -0.083 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.882 6.375 0.141 1.00 0.00 C ATOM 1320 C GLN A 84 -16.917 5.737 -0.789 1.00 0.00 C ATOM 1321 O GLN A 84 -16.572 4.992 -1.709 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.863 7.918 0.023 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.535 8.460 -1.387 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.346 9.974 -1.369 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -15.263 10.619 -0.302 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.250 10.589 -2.558 1.00 0.00 N ATOM 0 H GLN A 84 -13.908 6.449 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.183 6.136 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.837 8.303 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.131 8.313 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.629 7.983 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.339 8.200 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.320 10.047 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.107 11.598 -2.600 1.00 0.00 H new ATOM 1335 N GLN A 85 -18.227 5.943 -0.550 1.00 0.00 N ATOM 1336 CA GLN A 85 -19.246 5.282 -1.357 1.00 0.00 C ATOM 1337 C GLN A 85 -19.644 6.075 -2.606 1.00 0.00 C ATOM 1338 O GLN A 85 -19.245 7.223 -2.792 1.00 0.00 O ATOM 1339 CB GLN A 85 -20.488 4.917 -0.503 1.00 0.00 C ATOM 1340 CG GLN A 85 -21.003 3.483 -0.785 1.00 0.00 C ATOM 1341 CD GLN A 85 -22.368 3.217 -0.160 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -23.320 2.873 -0.869 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -22.470 3.383 1.174 1.00 0.00 N ATOM 0 H GLN A 85 -18.590 6.552 0.183 1.00 0.00 H new ATOM 0 HA GLN A 85 -18.792 4.360 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -20.237 5.008 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -21.286 5.632 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -21.064 3.328 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -20.284 2.760 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.655 3.668 1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -23.363 3.223 1.641 1.00 0.00 H new ATOM 1352 N THR A 86 -20.436 5.444 -3.504 1.00 0.00 N ATOM 1353 CA THR A 86 -20.925 5.995 -4.769 1.00 0.00 C ATOM 1354 C THR A 86 -19.836 6.028 -5.821 1.00 0.00 C ATOM 1355 O THR A 86 -19.280 7.067 -6.176 1.00 0.00 O ATOM 1356 CB THR A 86 -21.724 7.300 -4.683 1.00 0.00 C ATOM 1357 OG1 THR A 86 -22.867 7.119 -3.861 1.00 0.00 O ATOM 1358 CG2 THR A 86 -22.278 7.757 -6.041 1.00 0.00 C ATOM 0 H THR A 86 -20.762 4.490 -3.349 1.00 0.00 H new ATOM 0 HA THR A 86 -21.686 5.284 -5.092 1.00 0.00 H new ATOM 0 HB THR A 86 -21.025 8.039 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 86 -23.370 7.959 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 86 -22.834 8.686 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 86 -21.453 7.920 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 86 -22.941 6.990 -6.440 1.00 0.00 H new ATOM 1366 N GLY A 87 -19.497 4.844 -6.368 1.00 0.00 N ATOM 1367 CA GLY A 87 -18.496 4.704 -7.420 1.00 0.00 C ATOM 1368 C GLY A 87 -18.737 3.498 -8.288 1.00 0.00 C ATOM 1369 O GLY A 87 -19.668 3.470 -9.091 1.00 0.00 O ATOM 0 H GLY A 87 -19.918 3.959 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.498 5.600 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.507 4.631 -6.968 1.00 0.00 H new ATOM 1373 N GLY A 88 -17.893 2.458 -8.161 1.00 0.00 N ATOM 1374 CA GLY A 88 -17.995 1.259 -8.976 1.00 0.00 C ATOM 1375 C GLY A 88 -17.044 0.169 -8.479 1.00 0.00 C ATOM 1376 O GLY A 88 -16.933 -0.028 -7.243 1.00 0.00 O ATOM 1377 OXT GLY A 88 -16.411 -0.528 -9.314 1.00 0.00 O ATOM 0 H GLY A 88 -17.126 2.436 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.020 0.888 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.765 1.501 -10.014 1.00 0.00 H new TER 1381 GLY A 88