USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 880 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 24 ASN : amide:sc= -0.296 K(o=0.41,f=-4.1) USER MOD Set 1.2: A 78 GLN : amide:sc= 0.708 K(o=0.41,f=-2.1) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.13 K(o=-1.8,f=-13!) USER MOD Set 2.2: A 62 ASN : amide:sc= -1.89 K(o=-1.8,f=-4.9!) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-1.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.436 X(o=0.44,f=-0.063) USER MOD Single : A 6 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 7 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.2!) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.072 (180deg=-0.395) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 174:sc= -1.06 (180deg=-1.15) USER MOD Single : A 15 ASN : amide:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 16 SER OG : rot -40:sc= 0.788 USER MOD Single : A 22 ASN : amide:sc= 0.644 K(o=0.64,f=-0.43) USER MOD Single : A 25 THR OG1 : rot 90:sc= 0.504 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1 (180deg=0.895) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.08) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -30:sc= 0.289 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 2.06 (180deg=1.89) USER MOD Single : A 40 TYR OH : rot -122:sc= 0.0157 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 24:sc= -0.261 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.018) USER MOD Single : A 56 GLN : amide:sc= 1.07 K(o=1.1,f=-6.2!) USER MOD Single : A 57 TYR OH : rot -5:sc= 0.72 USER MOD Single : A 74 MET CE :methyl -131:sc= -0.0553 (180deg=-0.676) USER MOD Single : A 83 ASN : amide:sc= 0.345 K(o=0.34,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= 0.406 (180deg=0.281) USER MOD Single : A 91 ASN : amide:sc= -1.16! K(o=-1.2!,f=0.11) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.964) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 A O2' : rot 16:sc= 0.194 USER MOD Single : B 1 A O5' : rot -79:sc= 0.571 USER MOD Single : B 2 U O2' : rot 28:sc= 0.0971 USER MOD Single : B 3 U O2' : rot -31:sc= 0.918 USER MOD Single : B 4 U O2' : rot 17:sc= 0.222 USER MOD Single : B 5 U O2' : rot -35:sc= 1.14 USER MOD Single : B 6 U O2' : rot 153:sc= 0.998 USER MOD Single : B 7 C O2' : rot -29:sc= 0.131 USER MOD Single : B 7 C O3' : rot 180:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 0.930 10.767 -6.815 1.00 0.00 N ATOM 2 CA ALA A 2 0.216 11.613 -5.841 1.00 0.00 C ATOM 3 C ALA A 2 1.017 11.748 -4.549 1.00 0.00 C ATOM 4 O ALA A 2 2.009 11.045 -4.353 1.00 0.00 O ATOM 5 CB ALA A 2 -1.181 11.053 -5.554 1.00 0.00 C ATOM 0 HA ALA A 2 0.102 12.606 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.689 11.694 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.757 11.020 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.093 10.046 -5.146 1.00 0.00 H new ATOM 12 N SER A 3 0.586 12.655 -3.665 1.00 0.00 N ATOM 13 CA SER A 3 1.266 12.929 -2.405 1.00 0.00 C ATOM 14 C SER A 3 1.210 11.729 -1.461 1.00 0.00 C ATOM 15 O SER A 3 0.598 10.707 -1.773 1.00 0.00 O ATOM 16 CB SER A 3 0.641 14.160 -1.751 1.00 0.00 C ATOM 17 OG SER A 3 0.689 15.251 -2.648 1.00 0.00 O ATOM 0 H SER A 3 -0.250 13.220 -3.810 1.00 0.00 H new ATOM 0 HA SER A 3 2.318 13.122 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.392 13.951 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.175 14.407 -0.833 1.00 0.00 H new ATOM 0 HG SER A 3 0.286 16.039 -2.227 1.00 0.00 H new ATOM 23 N ASN A 4 1.849 11.861 -0.297 1.00 0.00 N ATOM 24 CA ASN A 4 1.954 10.791 0.683 1.00 0.00 C ATOM 25 C ASN A 4 1.110 11.071 1.928 1.00 0.00 C ATOM 26 O ASN A 4 1.420 10.558 3.000 1.00 0.00 O ATOM 27 CB ASN A 4 3.430 10.557 1.019 1.00 0.00 C ATOM 28 CG ASN A 4 4.083 11.805 1.596 1.00 0.00 C ATOM 29 OD1 ASN A 4 4.700 12.579 0.867 1.00 0.00 O ATOM 30 ND2 ASN A 4 3.961 12.014 2.902 1.00 0.00 N ATOM 0 H ASN A 4 2.311 12.724 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 4 1.548 9.875 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.515 9.739 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.963 10.251 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.386 12.837 3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.442 11.351 3.478 1.00 0.00 H new ATOM 37 N VAL A 5 0.052 11.879 1.804 1.00 0.00 N ATOM 38 CA VAL A 5 -0.711 12.353 2.948 1.00 0.00 C ATOM 39 C VAL A 5 -2.165 11.921 2.842 1.00 0.00 C ATOM 40 O VAL A 5 -2.806 12.136 1.816 1.00 0.00 O ATOM 41 CB VAL A 5 -0.581 13.870 3.054 1.00 0.00 C ATOM 42 CG1 VAL A 5 -1.291 14.371 4.308 1.00 0.00 C ATOM 43 CG2 VAL A 5 0.895 14.258 3.127 1.00 0.00 C ATOM 0 H VAL A 5 -0.294 12.219 0.906 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.310 11.909 3.859 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.038 14.323 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.192 15.454 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.347 14.105 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.842 13.912 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.983 15.342 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.350 13.795 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.406 13.914 2.228 1.00 0.00 H new ATOM 53 N THR A 6 -2.675 11.315 3.916 1.00 0.00 N ATOM 54 CA THR A 6 -4.031 10.789 3.959 1.00 0.00 C ATOM 55 C THR A 6 -4.636 10.819 5.368 1.00 0.00 C ATOM 56 O THR A 6 -5.630 10.138 5.590 1.00 0.00 O ATOM 57 CB THR A 6 -4.062 9.347 3.427 1.00 0.00 C ATOM 58 OG1 THR A 6 -3.285 8.510 4.252 1.00 0.00 O ATOM 59 CG2 THR A 6 -3.493 9.227 2.015 1.00 0.00 C ATOM 0 H THR A 6 -2.153 11.177 4.781 1.00 0.00 H new ATOM 0 HA THR A 6 -4.635 11.439 3.325 1.00 0.00 H new ATOM 0 HB THR A 6 -5.111 9.052 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.820 8.219 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.540 8.187 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.076 9.846 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.456 9.562 2.011 1.00 0.00 H new ATOM 67 N ASN A 7 -4.076 11.573 6.324 1.00 0.00 N ATOM 68 CA ASN A 7 -4.575 11.554 7.701 1.00 0.00 C ATOM 69 C ASN A 7 -5.195 12.868 8.187 1.00 0.00 C ATOM 70 O ASN A 7 -5.308 13.079 9.397 1.00 0.00 O ATOM 71 CB ASN A 7 -3.501 11.031 8.662 1.00 0.00 C ATOM 72 CG ASN A 7 -2.375 12.021 8.937 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.418 13.178 8.528 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.347 11.561 9.641 1.00 0.00 N ATOM 0 H ASN A 7 -3.285 12.197 6.169 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.413 10.857 7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.974 10.764 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.074 10.117 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.561 12.175 9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.343 10.594 9.966 1.00 0.00 H new ATOM 81 N LYS A 8 -5.599 13.757 7.272 1.00 0.00 N ATOM 82 CA LYS A 8 -6.284 14.994 7.650 1.00 0.00 C ATOM 83 C LYS A 8 -7.613 14.664 8.326 1.00 0.00 C ATOM 84 O LYS A 8 -8.065 13.519 8.287 1.00 0.00 O ATOM 85 CB LYS A 8 -6.507 15.871 6.412 1.00 0.00 C ATOM 86 CG LYS A 8 -5.314 16.767 6.054 1.00 0.00 C ATOM 87 CD LYS A 8 -4.025 15.999 5.749 1.00 0.00 C ATOM 88 CE LYS A 8 -3.213 15.685 7.010 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.691 16.911 7.643 1.00 0.00 N ATOM 0 H LYS A 8 -5.463 13.641 6.268 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.664 15.548 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.733 15.228 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.382 16.499 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.576 17.374 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.128 17.454 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.273 15.068 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.412 16.584 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.839 15.147 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.383 15.026 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.894 16.668 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.367 17.571 6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.443 17.360 8.203 1.00 0.00 H new ATOM 103 N THR A 9 -8.253 15.655 8.946 1.00 0.00 N ATOM 104 CA THR A 9 -9.511 15.445 9.656 1.00 0.00 C ATOM 105 C THR A 9 -10.551 16.500 9.280 1.00 0.00 C ATOM 106 O THR A 9 -11.474 16.769 10.047 1.00 0.00 O ATOM 107 CB THR A 9 -9.278 15.387 11.170 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.636 16.564 11.604 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.412 14.180 11.530 1.00 0.00 C ATOM 0 H THR A 9 -7.916 16.618 8.970 1.00 0.00 H new ATOM 0 HA THR A 9 -9.915 14.481 9.347 1.00 0.00 H new ATOM 0 HB THR A 9 -10.245 15.294 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.492 16.520 12.572 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.256 14.153 12.608 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.913 13.265 11.213 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.449 14.260 11.026 1.00 0.00 H new ATOM 117 N ASP A 10 -10.410 17.105 8.098 1.00 0.00 N ATOM 118 CA ASP A 10 -11.343 18.117 7.619 1.00 0.00 C ATOM 119 C ASP A 10 -12.708 17.493 7.320 1.00 0.00 C ATOM 120 O ASP A 10 -12.794 16.306 7.012 1.00 0.00 O ATOM 121 CB ASP A 10 -10.760 18.791 6.379 1.00 0.00 C ATOM 122 CG ASP A 10 -9.496 19.579 6.714 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.644 20.743 7.146 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.397 19.012 6.534 1.00 0.00 O ATOM 0 H ASP A 10 -9.647 16.905 7.451 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.491 18.870 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.531 18.036 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.503 19.460 5.944 1.00 0.00 H new ATOM 129 N PRO A 11 -13.784 18.290 7.408 1.00 0.00 N ATOM 130 CA PRO A 11 -15.158 17.829 7.257 1.00 0.00 C ATOM 131 C PRO A 11 -15.478 17.331 5.847 1.00 0.00 C ATOM 132 O PRO A 11 -16.567 16.807 5.624 1.00 0.00 O ATOM 133 CB PRO A 11 -16.025 19.038 7.616 1.00 0.00 C ATOM 134 CG PRO A 11 -15.132 20.232 7.291 1.00 0.00 C ATOM 135 CD PRO A 11 -13.752 19.715 7.677 1.00 0.00 C ATOM 0 HA PRO A 11 -15.342 16.969 7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.947 19.057 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.312 19.027 8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.185 20.505 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.410 21.117 7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.972 20.207 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.539 19.912 8.728 1.00 0.00 H new ATOM 143 N ARG A 12 -14.550 17.483 4.894 1.00 0.00 N ATOM 144 CA ARG A 12 -14.729 16.974 3.539 1.00 0.00 C ATOM 145 C ARG A 12 -13.588 16.046 3.125 1.00 0.00 C ATOM 146 O ARG A 12 -13.665 15.404 2.083 1.00 0.00 O ATOM 147 CB ARG A 12 -14.929 18.142 2.571 1.00 0.00 C ATOM 148 CG ARG A 12 -13.711 19.061 2.426 1.00 0.00 C ATOM 149 CD ARG A 12 -12.675 18.496 1.450 1.00 0.00 C ATOM 150 NE ARG A 12 -11.575 19.443 1.243 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.542 19.220 0.425 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.465 18.089 -0.276 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.580 20.130 0.301 1.00 0.00 N ATOM 0 H ARG A 12 -13.661 17.960 5.044 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.629 16.359 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.187 17.744 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.779 18.736 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.037 20.042 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.248 19.205 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.282 17.556 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.153 18.274 0.496 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.600 20.325 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.198 17.385 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.673 17.927 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.630 21.000 0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.792 19.958 -0.324 1.00 0.00 H new ATOM 167 N SER A 13 -12.527 15.969 3.933 1.00 0.00 N ATOM 168 CA SER A 13 -11.407 15.078 3.661 1.00 0.00 C ATOM 169 C SER A 13 -11.599 13.753 4.392 1.00 0.00 C ATOM 170 O SER A 13 -10.990 12.752 4.020 1.00 0.00 O ATOM 171 CB SER A 13 -10.098 15.747 4.063 1.00 0.00 C ATOM 172 OG SER A 13 -9.951 16.959 3.355 1.00 0.00 O ATOM 0 H SER A 13 -12.425 16.519 4.786 1.00 0.00 H new ATOM 0 HA SER A 13 -11.366 14.869 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.089 15.937 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.259 15.085 3.850 1.00 0.00 H new ATOM 0 HG SER A 13 -9.110 17.390 3.615 1.00 0.00 H new ATOM 178 N MET A 14 -12.442 13.745 5.428 1.00 0.00 N ATOM 179 CA MET A 14 -12.791 12.535 6.163 1.00 0.00 C ATOM 180 C MET A 14 -13.740 11.659 5.349 1.00 0.00 C ATOM 181 O MET A 14 -13.874 10.472 5.631 1.00 0.00 O ATOM 182 CB MET A 14 -13.449 12.938 7.486 1.00 0.00 C ATOM 183 CG MET A 14 -12.390 13.344 8.509 1.00 0.00 C ATOM 184 SD MET A 14 -11.973 12.057 9.718 1.00 0.00 S ATOM 185 CE MET A 14 -11.680 10.635 8.633 1.00 0.00 C ATOM 0 H MET A 14 -12.902 14.585 5.779 1.00 0.00 H new ATOM 0 HA MET A 14 -11.887 11.957 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.138 13.766 7.319 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.038 12.107 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.483 13.632 7.978 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.740 14.227 9.044 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.311 9.797 9.224 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.612 10.352 8.144 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.940 10.900 7.878 1.00 0.00 H new ATOM 195 N ASN A 15 -14.394 12.239 4.339 1.00 0.00 N ATOM 196 CA ASN A 15 -15.313 11.516 3.474 1.00 0.00 C ATOM 197 C ASN A 15 -14.847 11.520 2.019 1.00 0.00 C ATOM 198 O ASN A 15 -15.553 11.016 1.149 1.00 0.00 O ATOM 199 CB ASN A 15 -16.741 12.043 3.651 1.00 0.00 C ATOM 200 CG ASN A 15 -16.790 13.558 3.761 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.929 14.260 2.767 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.672 14.068 4.985 1.00 0.00 N ATOM 0 H ASN A 15 -14.297 13.226 4.102 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.319 10.468 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.351 11.723 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.180 11.602 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.696 15.079 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.558 13.448 5.787 1.00 0.00 H new ATOM 209 N SER A 16 -13.664 12.079 1.753 1.00 0.00 N ATOM 210 CA SER A 16 -13.011 12.006 0.450 1.00 0.00 C ATOM 211 C SER A 16 -11.870 10.990 0.512 1.00 0.00 C ATOM 212 O SER A 16 -11.023 10.918 -0.376 1.00 0.00 O ATOM 213 CB SER A 16 -12.539 13.402 0.044 1.00 0.00 C ATOM 214 OG SER A 16 -11.859 13.355 -1.189 1.00 0.00 O ATOM 0 H SER A 16 -13.129 12.601 2.447 1.00 0.00 H new ATOM 0 HA SER A 16 -13.707 11.663 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.394 14.074 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.882 13.808 0.813 1.00 0.00 H new ATOM 0 HG SER A 16 -11.288 12.559 -1.217 1.00 0.00 H new ATOM 220 N ARG A 17 -11.846 10.192 1.579 1.00 0.00 N ATOM 221 CA ARG A 17 -10.778 9.243 1.849 1.00 0.00 C ATOM 222 C ARG A 17 -11.292 7.811 1.771 1.00 0.00 C ATOM 223 O ARG A 17 -12.467 7.549 2.026 1.00 0.00 O ATOM 224 CB ARG A 17 -10.213 9.579 3.221 1.00 0.00 C ATOM 225 CG ARG A 17 -9.024 8.698 3.599 1.00 0.00 C ATOM 226 CD ARG A 17 -8.491 9.174 4.947 1.00 0.00 C ATOM 227 NE ARG A 17 -8.209 10.608 4.875 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.242 11.453 5.901 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.463 11.028 7.142 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.048 12.745 5.675 1.00 0.00 N ATOM 0 H ARG A 17 -12.580 10.190 2.287 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.989 9.318 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.905 10.625 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.997 9.466 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.328 7.653 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.246 8.762 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.221 8.974 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.585 8.626 5.207 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.967 10.991 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.612 10.035 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.484 11.695 7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.877 13.077 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.070 13.407 6.450 1.00 0.00 H new ATOM 244 N VAL A 18 -10.399 6.889 1.423 1.00 0.00 N ATOM 245 CA VAL A 18 -10.718 5.477 1.296 1.00 0.00 C ATOM 246 C VAL A 18 -9.890 4.676 2.289 1.00 0.00 C ATOM 247 O VAL A 18 -8.667 4.801 2.316 1.00 0.00 O ATOM 248 CB VAL A 18 -10.419 5.007 -0.130 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.888 3.570 -0.322 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.100 5.894 -1.172 1.00 0.00 C ATOM 0 H VAL A 18 -9.424 7.107 1.220 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.776 5.325 1.507 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.340 5.070 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.669 3.249 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.369 2.921 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.962 3.511 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.864 5.528 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.179 5.869 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.743 6.919 -1.067 1.00 0.00 H new ATOM 260 N PHE A 19 -10.556 3.854 3.101 1.00 0.00 N ATOM 261 CA PHE A 19 -9.882 2.911 3.977 1.00 0.00 C ATOM 262 C PHE A 19 -9.828 1.576 3.245 1.00 0.00 C ATOM 263 O PHE A 19 -10.840 1.132 2.710 1.00 0.00 O ATOM 264 CB PHE A 19 -10.640 2.817 5.302 1.00 0.00 C ATOM 265 CG PHE A 19 -10.098 1.770 6.250 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.727 1.720 6.543 1.00 0.00 C ATOM 267 CD2 PHE A 19 -10.974 0.846 6.839 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.234 0.745 7.420 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.478 -0.130 7.714 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.107 -0.184 8.002 1.00 0.00 C ATOM 0 H PHE A 19 -11.574 3.827 3.166 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.867 3.228 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.610 3.789 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.687 2.597 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.052 2.433 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.030 0.887 6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.179 0.709 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.153 -0.841 8.167 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.724 -0.940 8.671 1.00 0.00 H new ATOM 280 N ILE A 20 -8.657 0.936 3.216 1.00 0.00 N ATOM 281 CA ILE A 20 -8.458 -0.308 2.483 1.00 0.00 C ATOM 282 C ILE A 20 -7.893 -1.348 3.442 1.00 0.00 C ATOM 283 O ILE A 20 -6.682 -1.442 3.621 1.00 0.00 O ATOM 284 CB ILE A 20 -7.511 -0.065 1.300 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.052 1.044 0.389 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.330 -1.364 0.499 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.997 1.507 -0.617 1.00 0.00 C ATOM 0 H ILE A 20 -7.823 1.268 3.701 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.403 -0.673 2.082 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.544 0.253 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.931 0.682 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.374 1.890 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.657 -1.184 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.908 -2.134 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.297 -1.697 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.414 2.293 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.129 1.893 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.695 0.666 -1.240 1.00 0.00 H new ATOM 299 N GLY A 21 -8.778 -2.128 4.063 1.00 0.00 N ATOM 300 CA GLY A 21 -8.395 -3.112 5.061 1.00 0.00 C ATOM 301 C GLY A 21 -8.140 -4.500 4.472 1.00 0.00 C ATOM 302 O GLY A 21 -8.461 -4.765 3.313 1.00 0.00 O ATOM 0 H GLY A 21 -9.781 -2.091 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.495 -2.770 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.181 -3.182 5.813 1.00 0.00 H new ATOM 306 N ASN A 22 -7.553 -5.377 5.291 1.00 0.00 N ATOM 307 CA ASN A 22 -7.238 -6.761 4.958 1.00 0.00 C ATOM 308 C ASN A 22 -6.382 -6.889 3.693 1.00 0.00 C ATOM 309 O ASN A 22 -6.328 -7.954 3.082 1.00 0.00 O ATOM 310 CB ASN A 22 -8.524 -7.590 4.889 1.00 0.00 C ATOM 311 CG ASN A 22 -8.229 -9.081 4.983 1.00 0.00 C ATOM 312 OD1 ASN A 22 -7.826 -9.566 6.037 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.427 -9.813 3.891 1.00 0.00 N ATOM 0 H ASN A 22 -7.275 -5.128 6.240 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.618 -7.166 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.191 -7.298 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.045 -7.379 3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.243 -10.816 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.763 -9.371 3.035 1.00 0.00 H new ATOM 320 N LEU A 23 -5.711 -5.808 3.288 1.00 0.00 N ATOM 321 CA LEU A 23 -4.921 -5.784 2.066 1.00 0.00 C ATOM 322 C LEU A 23 -3.682 -6.670 2.196 1.00 0.00 C ATOM 323 O LEU A 23 -3.133 -6.830 3.286 1.00 0.00 O ATOM 324 CB LEU A 23 -4.553 -4.327 1.768 1.00 0.00 C ATOM 325 CG LEU A 23 -3.694 -4.146 0.513 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.395 -4.672 -0.739 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.417 -2.657 0.321 1.00 0.00 C ATOM 0 H LEU A 23 -5.703 -4.927 3.802 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.499 -6.188 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.469 -3.747 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.018 -3.916 2.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.772 -4.710 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.751 -4.524 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.604 -5.735 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.331 -4.133 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.806 -2.513 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.360 -2.124 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.887 -2.270 1.191 1.00 0.00 H new ATOM 339 N ASN A 24 -3.239 -7.243 1.072 1.00 0.00 N ATOM 340 CA ASN A 24 -1.983 -7.974 1.014 1.00 0.00 C ATOM 341 C ASN A 24 -0.851 -6.955 0.937 1.00 0.00 C ATOM 342 O ASN A 24 -0.502 -6.474 -0.142 1.00 0.00 O ATOM 343 CB ASN A 24 -1.997 -8.912 -0.192 1.00 0.00 C ATOM 344 CG ASN A 24 -0.646 -9.586 -0.381 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.376 -10.642 0.184 1.00 0.00 O ATOM 346 ND2 ASN A 24 0.216 -8.974 -1.182 1.00 0.00 N ATOM 0 H ASN A 24 -3.742 -7.210 0.185 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.838 -8.591 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.769 -9.670 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.255 -8.350 -1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.137 -9.380 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.043 -8.097 -1.635 1.00 0.00 H new ATOM 353 N THR A 25 -0.275 -6.622 2.090 1.00 0.00 N ATOM 354 CA THR A 25 0.708 -5.559 2.205 1.00 0.00 C ATOM 355 C THR A 25 2.142 -6.071 2.128 1.00 0.00 C ATOM 356 O THR A 25 3.075 -5.305 2.359 1.00 0.00 O ATOM 357 CB THR A 25 0.438 -4.765 3.484 1.00 0.00 C ATOM 358 OG1 THR A 25 0.459 -5.627 4.604 1.00 0.00 O ATOM 359 CG2 THR A 25 -0.947 -4.129 3.374 1.00 0.00 C ATOM 0 H THR A 25 -0.482 -7.088 2.973 1.00 0.00 H new ATOM 0 HA THR A 25 0.602 -4.894 1.348 1.00 0.00 H new ATOM 0 HB THR A 25 1.205 -4.000 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.370 -5.678 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.158 -3.558 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.975 -3.465 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.698 -4.910 3.255 1.00 0.00 H new ATOM 367 N LEU A 26 2.332 -7.354 1.802 1.00 0.00 N ATOM 368 CA LEU A 26 3.672 -7.909 1.671 1.00 0.00 C ATOM 369 C LEU A 26 4.182 -7.803 0.235 1.00 0.00 C ATOM 370 O LEU A 26 5.369 -8.010 -0.009 1.00 0.00 O ATOM 371 CB LEU A 26 3.712 -9.375 2.111 1.00 0.00 C ATOM 372 CG LEU A 26 3.004 -9.690 3.432 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.539 -11.035 3.913 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.239 -8.649 4.527 1.00 0.00 C ATOM 0 H LEU A 26 1.578 -8.018 1.626 1.00 0.00 H new ATOM 0 HA LEU A 26 4.320 -7.322 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.264 -9.984 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.755 -9.682 2.196 1.00 0.00 H new ATOM 0 HG LEU A 26 1.930 -9.695 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.060 -11.301 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.323 -11.800 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.617 -10.966 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.705 -8.944 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.305 -8.581 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.875 -7.678 4.191 1.00 0.00 H new ATOM 386 N VAL A 27 3.296 -7.487 -0.716 1.00 0.00 N ATOM 387 CA VAL A 27 3.656 -7.416 -2.129 1.00 0.00 C ATOM 388 C VAL A 27 3.107 -6.146 -2.766 1.00 0.00 C ATOM 389 O VAL A 27 3.600 -5.731 -3.813 1.00 0.00 O ATOM 390 CB VAL A 27 3.147 -8.669 -2.857 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.686 -8.733 -4.285 1.00 0.00 C ATOM 392 CG2 VAL A 27 3.586 -9.943 -2.134 1.00 0.00 C ATOM 0 H VAL A 27 2.317 -7.275 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 27 4.742 -7.381 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 27 2.059 -8.603 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.309 -9.630 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.358 -7.852 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.775 -8.762 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.211 -10.814 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.675 -9.982 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.185 -9.943 -1.120 1.00 0.00 H new ATOM 402 N VAL A 28 2.101 -5.512 -2.154 1.00 0.00 N ATOM 403 CA VAL A 28 1.608 -4.229 -2.634 1.00 0.00 C ATOM 404 C VAL A 28 2.530 -3.128 -2.115 1.00 0.00 C ATOM 405 O VAL A 28 3.232 -3.318 -1.120 1.00 0.00 O ATOM 406 CB VAL A 28 0.150 -4.029 -2.203 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.093 -3.285 -0.872 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.642 -3.235 -3.241 1.00 0.00 C ATOM 0 H VAL A 28 1.618 -5.869 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 28 1.618 -4.195 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.296 -5.019 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.947 -3.149 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.615 -3.863 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.571 -2.311 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.670 -3.114 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.186 -2.254 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.636 -3.770 -4.191 1.00 0.00 H new ATOM 418 N LYS A 29 2.535 -1.973 -2.783 1.00 0.00 N ATOM 419 CA LYS A 29 3.326 -0.820 -2.372 1.00 0.00 C ATOM 420 C LYS A 29 2.522 0.453 -2.597 1.00 0.00 C ATOM 421 O LYS A 29 1.435 0.412 -3.170 1.00 0.00 O ATOM 422 CB LYS A 29 4.671 -0.766 -3.113 1.00 0.00 C ATOM 423 CG LYS A 29 4.630 -1.396 -4.507 1.00 0.00 C ATOM 424 CD LYS A 29 5.119 -2.844 -4.426 1.00 0.00 C ATOM 425 CE LYS A 29 4.784 -3.576 -5.719 1.00 0.00 C ATOM 426 NZ LYS A 29 5.404 -4.912 -5.761 1.00 0.00 N ATOM 0 H LYS A 29 1.986 -1.814 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 29 3.554 -0.913 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.985 0.274 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.426 -1.276 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.615 -1.365 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.257 -0.827 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.195 -2.865 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.651 -3.348 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.702 -3.673 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.127 -2.988 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.315 -5.306 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.410 -4.836 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.925 -5.538 -5.083 1.00 0.00 H new ATOM 440 N LYS A 30 3.050 1.592 -2.149 1.00 0.00 N ATOM 441 CA LYS A 30 2.347 2.860 -2.291 1.00 0.00 C ATOM 442 C LYS A 30 2.056 3.141 -3.759 1.00 0.00 C ATOM 443 O LYS A 30 1.004 3.684 -4.075 1.00 0.00 O ATOM 444 CB LYS A 30 3.192 3.988 -1.695 1.00 0.00 C ATOM 445 CG LYS A 30 2.486 5.319 -1.951 1.00 0.00 C ATOM 446 CD LYS A 30 3.168 6.459 -1.203 1.00 0.00 C ATOM 447 CE LYS A 30 2.455 7.771 -1.532 1.00 0.00 C ATOM 448 NZ LYS A 30 2.743 8.215 -2.912 1.00 0.00 N ATOM 0 H LYS A 30 3.957 1.659 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 30 1.400 2.802 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.328 3.833 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.185 3.994 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.483 5.532 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.444 5.247 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.139 6.274 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.218 6.520 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.380 7.643 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.768 8.542 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.448 9.206 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.763 8.134 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.220 7.618 -3.585 1.00 0.00 H new ATOM 462 N SER A 31 2.986 2.769 -4.639 1.00 0.00 N ATOM 463 CA SER A 31 2.892 3.044 -6.064 1.00 0.00 C ATOM 464 C SER A 31 1.896 2.103 -6.732 1.00 0.00 C ATOM 465 O SER A 31 1.564 2.290 -7.901 1.00 0.00 O ATOM 466 CB SER A 31 4.280 2.917 -6.690 1.00 0.00 C ATOM 467 OG SER A 31 4.802 1.625 -6.452 1.00 0.00 O ATOM 0 H SER A 31 3.832 2.264 -4.375 1.00 0.00 H new ATOM 0 HA SER A 31 2.527 4.060 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.223 3.103 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.947 3.670 -6.271 1.00 0.00 H new ATOM 0 HG SER A 31 5.691 1.551 -6.858 1.00 0.00 H new ATOM 473 N ASP A 32 1.417 1.094 -5.995 1.00 0.00 N ATOM 474 CA ASP A 32 0.391 0.189 -6.471 1.00 0.00 C ATOM 475 C ASP A 32 -0.977 0.700 -6.028 1.00 0.00 C ATOM 476 O ASP A 32 -1.924 0.657 -6.806 1.00 0.00 O ATOM 477 CB ASP A 32 0.656 -1.215 -5.922 1.00 0.00 C ATOM 478 CG ASP A 32 1.577 -2.044 -6.817 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.339 -1.440 -7.606 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.510 -3.287 -6.706 1.00 0.00 O ATOM 0 H ASP A 32 1.739 0.890 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 32 0.408 0.142 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.100 -1.133 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.293 -1.738 -5.804 1.00 0.00 H new ATOM 485 N VAL A 33 -1.095 1.184 -4.790 1.00 0.00 N ATOM 486 CA VAL A 33 -2.381 1.647 -4.290 1.00 0.00 C ATOM 487 C VAL A 33 -2.805 2.909 -5.039 1.00 0.00 C ATOM 488 O VAL A 33 -3.986 3.074 -5.345 1.00 0.00 O ATOM 489 CB VAL A 33 -2.301 1.876 -2.778 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.654 2.332 -2.241 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.915 0.582 -2.059 1.00 0.00 C ATOM 0 H VAL A 33 -0.324 1.263 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.142 0.887 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.546 2.641 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.583 2.491 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.943 3.263 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.403 1.567 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.863 0.764 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.664 -0.184 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.943 0.243 -2.417 1.00 0.00 H new ATOM 501 N GLU A 34 -1.861 3.804 -5.351 1.00 0.00 N ATOM 502 CA GLU A 34 -2.177 4.992 -6.137 1.00 0.00 C ATOM 503 C GLU A 34 -2.286 4.677 -7.631 1.00 0.00 C ATOM 504 O GLU A 34 -2.441 5.587 -8.443 1.00 0.00 O ATOM 505 CB GLU A 34 -1.172 6.114 -5.862 1.00 0.00 C ATOM 506 CG GLU A 34 0.222 5.807 -6.407 1.00 0.00 C ATOM 507 CD GLU A 34 1.176 6.955 -6.091 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.089 7.988 -6.792 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.986 6.798 -5.153 1.00 0.00 O ATOM 0 H GLU A 34 -0.883 3.726 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.159 5.344 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.536 7.039 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.108 6.283 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.596 4.882 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.173 5.651 -7.485 1.00 0.00 H new ATOM 516 N ALA A 35 -2.207 3.396 -8.000 1.00 0.00 N ATOM 517 CA ALA A 35 -2.343 2.954 -9.383 1.00 0.00 C ATOM 518 C ALA A 35 -3.545 2.022 -9.557 1.00 0.00 C ATOM 519 O ALA A 35 -3.906 1.684 -10.684 1.00 0.00 O ATOM 520 CB ALA A 35 -1.050 2.262 -9.803 1.00 0.00 C ATOM 0 H ALA A 35 -2.046 2.635 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.521 3.820 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.136 1.925 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.219 2.962 -9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.870 1.404 -9.156 1.00 0.00 H new ATOM 526 N ILE A 36 -4.169 1.610 -8.450 1.00 0.00 N ATOM 527 CA ILE A 36 -5.336 0.736 -8.463 1.00 0.00 C ATOM 528 C ILE A 36 -6.601 1.539 -8.169 1.00 0.00 C ATOM 529 O ILE A 36 -7.696 1.124 -8.546 1.00 0.00 O ATOM 530 CB ILE A 36 -5.105 -0.394 -7.450 1.00 0.00 C ATOM 531 CG1 ILE A 36 -3.960 -1.289 -7.946 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.359 -1.254 -7.262 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.364 -2.100 -6.793 1.00 0.00 C ATOM 0 H ILE A 36 -3.872 1.879 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.476 0.291 -9.448 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.856 0.061 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.329 -1.964 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.184 -0.675 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.154 -2.042 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.176 -0.631 -6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.640 -1.701 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.555 -2.726 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.975 -1.421 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.137 -2.731 -6.354 1.00 0.00 H new ATOM 545 N PHE A 37 -6.464 2.688 -7.504 1.00 0.00 N ATOM 546 CA PHE A 37 -7.602 3.523 -7.151 1.00 0.00 C ATOM 547 C PHE A 37 -7.659 4.789 -8.011 1.00 0.00 C ATOM 548 O PHE A 37 -8.636 5.531 -7.959 1.00 0.00 O ATOM 549 CB PHE A 37 -7.534 3.823 -5.655 1.00 0.00 C ATOM 550 CG PHE A 37 -7.863 2.621 -4.798 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.975 1.533 -4.737 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.062 2.585 -4.069 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.296 0.405 -3.973 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.383 1.454 -3.303 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.499 0.366 -3.252 1.00 0.00 C ATOM 0 H PHE A 37 -5.564 3.060 -7.199 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.532 2.994 -7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.534 4.178 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.227 4.631 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.043 1.568 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.737 3.427 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.618 -0.435 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.311 1.421 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.744 -0.502 -2.658 1.00 0.00 H new ATOM 565 N SER A 38 -6.623 5.055 -8.814 1.00 0.00 N ATOM 566 CA SER A 38 -6.583 6.241 -9.660 1.00 0.00 C ATOM 567 C SER A 38 -7.540 6.119 -10.849 1.00 0.00 C ATOM 568 O SER A 38 -7.764 7.096 -11.564 1.00 0.00 O ATOM 569 CB SER A 38 -5.141 6.474 -10.112 1.00 0.00 C ATOM 570 OG SER A 38 -5.036 7.666 -10.862 1.00 0.00 O ATOM 0 H SER A 38 -5.800 4.458 -8.892 1.00 0.00 H new ATOM 0 HA SER A 38 -6.922 7.104 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.487 6.528 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.803 5.630 -10.713 1.00 0.00 H new ATOM 0 HG SER A 38 -5.881 7.833 -11.330 1.00 0.00 H new ATOM 576 N LYS A 39 -8.113 4.930 -11.078 1.00 0.00 N ATOM 577 CA LYS A 39 -9.072 4.718 -12.156 1.00 0.00 C ATOM 578 C LYS A 39 -10.502 5.044 -11.721 1.00 0.00 C ATOM 579 O LYS A 39 -11.420 4.986 -12.540 1.00 0.00 O ATOM 580 CB LYS A 39 -8.965 3.289 -12.698 1.00 0.00 C ATOM 581 CG LYS A 39 -9.404 2.255 -11.663 1.00 0.00 C ATOM 582 CD LYS A 39 -9.545 0.896 -12.345 1.00 0.00 C ATOM 583 CE LYS A 39 -10.022 -0.151 -11.343 1.00 0.00 C ATOM 584 NZ LYS A 39 -8.977 -0.464 -10.351 1.00 0.00 N ATOM 0 H LYS A 39 -7.923 4.096 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.823 5.409 -12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.581 3.192 -13.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.936 3.090 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.674 2.197 -10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.352 2.551 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.252 0.968 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.588 0.593 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.913 0.212 -10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.307 -1.060 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.308 -1.227 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.113 -0.769 -10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.772 0.383 -9.784 1.00 0.00 H new ATOM 598 N TYR A 40 -10.696 5.380 -10.443 1.00 0.00 N ATOM 599 CA TYR A 40 -12.004 5.699 -9.891 1.00 0.00 C ATOM 600 C TYR A 40 -12.059 7.142 -9.385 1.00 0.00 C ATOM 601 O TYR A 40 -13.113 7.594 -8.940 1.00 0.00 O ATOM 602 CB TYR A 40 -12.333 4.708 -8.775 1.00 0.00 C ATOM 603 CG TYR A 40 -13.053 3.463 -9.242 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.377 3.561 -9.695 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.410 2.217 -9.216 1.00 0.00 C ATOM 606 CE1 TYR A 40 -15.068 2.413 -10.113 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.091 1.065 -9.638 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.423 1.160 -10.093 1.00 0.00 C ATOM 609 OH TYR A 40 -15.087 0.046 -10.511 1.00 0.00 O ATOM 0 H TYR A 40 -9.940 5.437 -9.761 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.752 5.612 -10.679 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.407 4.414 -8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.947 5.211 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.866 4.523 -9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.389 2.144 -8.871 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -16.091 2.490 -10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.595 0.106 -9.614 1.00 0.00 H new ATOM 0 HH TYR A 40 -15.102 -0.616 -9.789 1.00 0.00 H new ATOM 619 N GLY A 41 -10.943 7.873 -9.448 1.00 0.00 N ATOM 620 CA GLY A 41 -10.924 9.261 -9.024 1.00 0.00 C ATOM 621 C GLY A 41 -9.520 9.849 -9.026 1.00 0.00 C ATOM 622 O GLY A 41 -8.535 9.124 -9.144 1.00 0.00 O ATOM 0 H GLY A 41 -10.048 7.522 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.562 9.849 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.346 9.338 -8.022 1.00 0.00 H new ATOM 626 N LYS A 42 -9.436 11.180 -8.896 1.00 0.00 N ATOM 627 CA LYS A 42 -8.164 11.883 -8.832 1.00 0.00 C ATOM 628 C LYS A 42 -7.584 11.738 -7.431 1.00 0.00 C ATOM 629 O LYS A 42 -8.140 12.268 -6.470 1.00 0.00 O ATOM 630 CB LYS A 42 -8.379 13.361 -9.186 1.00 0.00 C ATOM 631 CG LYS A 42 -7.150 14.209 -8.847 1.00 0.00 C ATOM 632 CD LYS A 42 -5.893 13.745 -9.585 1.00 0.00 C ATOM 633 CE LYS A 42 -4.707 14.552 -9.053 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.455 14.160 -9.725 1.00 0.00 N ATOM 0 H LYS A 42 -10.250 11.791 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.461 11.457 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.602 13.452 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.245 13.743 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.351 15.250 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.971 14.170 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.730 12.679 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.005 13.895 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.888 15.616 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.611 14.397 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.667 14.722 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.272 13.150 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.542 14.331 -10.747 1.00 0.00 H new ATOM 648 N ILE A 43 -6.467 11.022 -7.316 1.00 0.00 N ATOM 649 CA ILE A 43 -5.779 10.869 -6.048 1.00 0.00 C ATOM 650 C ILE A 43 -4.840 12.056 -5.851 1.00 0.00 C ATOM 651 O ILE A 43 -4.056 12.390 -6.738 1.00 0.00 O ATOM 652 CB ILE A 43 -5.041 9.522 -6.000 1.00 0.00 C ATOM 653 CG1 ILE A 43 -6.050 8.377 -6.151 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.302 9.398 -4.665 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.411 6.992 -6.055 1.00 0.00 C ATOM 0 H ILE A 43 -6.021 10.538 -8.095 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.495 10.861 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.320 9.468 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.814 8.471 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.555 8.471 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.777 8.443 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.583 10.212 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.019 9.450 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.180 6.228 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.667 6.879 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.930 6.880 -5.083 1.00 0.00 H new ATOM 667 N VAL A 44 -4.926 12.688 -4.678 1.00 0.00 N ATOM 668 CA VAL A 44 -4.067 13.803 -4.292 1.00 0.00 C ATOM 669 C VAL A 44 -3.272 13.455 -3.037 1.00 0.00 C ATOM 670 O VAL A 44 -2.585 14.304 -2.476 1.00 0.00 O ATOM 671 CB VAL A 44 -4.889 15.079 -4.107 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.398 15.568 -5.463 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.077 14.834 -3.175 1.00 0.00 C ATOM 0 H VAL A 44 -5.605 12.433 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.352 13.989 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.246 15.837 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.983 16.477 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.551 15.777 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.024 14.799 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.645 15.757 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.719 14.063 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.714 14.508 -2.200 1.00 0.00 H new ATOM 683 N GLY A 45 -3.365 12.201 -2.599 1.00 0.00 N ATOM 684 CA GLY A 45 -2.617 11.696 -1.459 1.00 0.00 C ATOM 685 C GLY A 45 -2.814 10.188 -1.353 1.00 0.00 C ATOM 686 O GLY A 45 -3.902 9.690 -1.629 1.00 0.00 O ATOM 0 H GLY A 45 -3.969 11.503 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.558 11.929 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.954 12.183 -0.544 1.00 0.00 H new ATOM 690 N CYS A 46 -1.778 9.452 -0.958 1.00 0.00 N ATOM 691 CA CYS A 46 -1.864 8.007 -0.830 1.00 0.00 C ATOM 692 C CYS A 46 -0.908 7.523 0.255 1.00 0.00 C ATOM 693 O CYS A 46 0.146 8.118 0.466 1.00 0.00 O ATOM 694 CB CYS A 46 -1.531 7.371 -2.179 1.00 0.00 C ATOM 695 SG CYS A 46 -1.727 5.576 -2.052 1.00 0.00 S ATOM 0 H CYS A 46 -0.865 9.840 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.874 7.716 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.188 7.767 -2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.510 7.618 -2.469 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.551 5.297 -1.086 1.00 0.00 H new ATOM 701 N SER A 47 -1.269 6.443 0.943 1.00 0.00 N ATOM 702 CA SER A 47 -0.430 5.854 1.973 1.00 0.00 C ATOM 703 C SER A 47 -0.743 4.369 2.101 1.00 0.00 C ATOM 704 O SER A 47 -1.832 3.922 1.749 1.00 0.00 O ATOM 705 CB SER A 47 -0.670 6.580 3.293 1.00 0.00 C ATOM 706 OG SER A 47 0.254 6.124 4.259 1.00 0.00 O ATOM 0 H SER A 47 -2.153 5.954 0.799 1.00 0.00 H new ATOM 0 HA SER A 47 0.621 5.959 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.564 7.656 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.689 6.403 3.637 1.00 0.00 H new ATOM 0 HG SER A 47 0.100 6.592 5.106 1.00 0.00 H new ATOM 712 N VAL A 48 0.211 3.589 2.604 1.00 0.00 N ATOM 713 CA VAL A 48 0.030 2.158 2.768 1.00 0.00 C ATOM 714 C VAL A 48 0.824 1.669 3.972 1.00 0.00 C ATOM 715 O VAL A 48 1.909 2.172 4.262 1.00 0.00 O ATOM 716 CB VAL A 48 0.388 1.436 1.463 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.749 1.870 0.924 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.377 -0.084 1.631 1.00 0.00 C ATOM 0 H VAL A 48 1.123 3.932 2.906 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.015 1.928 2.974 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.381 1.719 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.962 1.334 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.737 2.942 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.521 1.644 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.636 -0.557 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.104 -0.371 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.617 -0.409 1.939 1.00 0.00 H new ATOM 728 N HIS A 49 0.267 0.678 4.672 1.00 0.00 N ATOM 729 CA HIS A 49 0.791 0.180 5.935 1.00 0.00 C ATOM 730 C HIS A 49 0.697 -1.342 5.946 1.00 0.00 C ATOM 731 O HIS A 49 0.484 -1.947 4.897 1.00 0.00 O ATOM 732 CB HIS A 49 -0.042 0.788 7.071 1.00 0.00 C ATOM 733 CG HIS A 49 -0.279 2.266 6.897 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.569 3.288 7.330 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.364 2.818 6.275 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.026 4.431 6.948 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.188 4.182 6.317 1.00 0.00 N ATOM 0 H HIS A 49 -0.577 0.193 4.366 1.00 0.00 H new ATOM 0 HA HIS A 49 1.836 0.461 6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.002 0.275 7.126 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.466 0.616 8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.196 2.287 5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.375 5.418 7.124 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.826 4.881 5.937 1.00 0.00 H new ATOM 745 N LYS A 50 0.853 -1.972 7.116 1.00 0.00 N ATOM 746 CA LYS A 50 0.648 -3.410 7.233 1.00 0.00 C ATOM 747 C LYS A 50 -0.825 -3.710 7.477 1.00 0.00 C ATOM 748 O LYS A 50 -1.447 -3.116 8.354 1.00 0.00 O ATOM 749 CB LYS A 50 1.511 -3.993 8.349 1.00 0.00 C ATOM 750 CG LYS A 50 2.968 -4.105 7.903 1.00 0.00 C ATOM 751 CD LYS A 50 3.775 -4.827 8.983 1.00 0.00 C ATOM 752 CE LYS A 50 5.180 -5.155 8.482 1.00 0.00 C ATOM 753 NZ LYS A 50 5.964 -3.936 8.211 1.00 0.00 N ATOM 0 H LYS A 50 1.118 -1.509 7.985 1.00 0.00 H new ATOM 0 HA LYS A 50 0.949 -3.881 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.444 -3.361 9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.135 -4.977 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.031 -4.650 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.383 -3.113 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.838 -4.203 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.264 -5.745 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.698 -5.762 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.111 -5.752 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.927 -4.200 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.510 -3.394 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.008 -3.353 9.071 1.00 0.00 H new ATOM 767 N GLY A 51 -1.380 -4.639 6.695 1.00 0.00 N ATOM 768 CA GLY A 51 -2.758 -5.088 6.812 1.00 0.00 C ATOM 769 C GLY A 51 -3.786 -4.087 6.282 1.00 0.00 C ATOM 770 O GLY A 51 -4.937 -4.464 6.076 1.00 0.00 O ATOM 0 H GLY A 51 -0.867 -5.107 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.870 -6.028 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.974 -5.295 7.860 1.00 0.00 H new ATOM 774 N PHE A 52 -3.400 -2.827 6.057 1.00 0.00 N ATOM 775 CA PHE A 52 -4.321 -1.828 5.537 1.00 0.00 C ATOM 776 C PHE A 52 -3.583 -0.739 4.761 1.00 0.00 C ATOM 777 O PHE A 52 -2.358 -0.645 4.808 1.00 0.00 O ATOM 778 CB PHE A 52 -5.119 -1.199 6.683 1.00 0.00 C ATOM 779 CG PHE A 52 -4.278 -0.433 7.677 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.674 -1.104 8.752 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.104 0.952 7.529 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.885 -0.398 9.668 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.315 1.656 8.446 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.701 0.982 9.512 1.00 0.00 C ATOM 0 H PHE A 52 -2.456 -2.481 6.229 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.004 -2.329 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.867 -0.527 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.658 -1.986 7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.818 -2.167 8.873 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.578 1.473 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.419 -0.916 10.493 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.179 2.721 8.332 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.086 1.527 10.213 1.00 0.00 H new ATOM 794 N ALA A 53 -4.345 0.087 4.042 1.00 0.00 N ATOM 795 CA ALA A 53 -3.819 1.211 3.281 1.00 0.00 C ATOM 796 C ALA A 53 -4.846 2.340 3.221 1.00 0.00 C ATOM 797 O ALA A 53 -5.990 2.169 3.647 1.00 0.00 O ATOM 798 CB ALA A 53 -3.441 0.732 1.879 1.00 0.00 C ATOM 0 H ALA A 53 -5.358 -0.011 3.974 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.928 1.603 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.046 1.569 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.683 -0.048 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.324 0.333 1.380 1.00 0.00 H new ATOM 804 N PHE A 54 -4.437 3.497 2.692 1.00 0.00 N ATOM 805 CA PHE A 54 -5.284 4.676 2.608 1.00 0.00 C ATOM 806 C PHE A 54 -5.080 5.428 1.298 1.00 0.00 C ATOM 807 O PHE A 54 -3.992 5.434 0.727 1.00 0.00 O ATOM 808 CB PHE A 54 -4.992 5.604 3.788 1.00 0.00 C ATOM 809 CG PHE A 54 -5.849 5.323 4.995 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.194 5.710 4.979 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.311 4.681 6.121 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.011 5.451 6.085 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.128 4.423 7.227 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.477 4.807 7.206 1.00 0.00 C ATOM 0 H PHE A 54 -3.502 3.636 2.309 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.322 4.345 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.943 5.507 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.145 6.637 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.602 6.209 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.272 4.388 6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.050 5.747 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.720 3.929 8.096 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.107 4.604 8.060 1.00 0.00 H new ATOM 824 N VAL A 55 -6.152 6.069 0.829 1.00 0.00 N ATOM 825 CA VAL A 55 -6.127 6.897 -0.368 1.00 0.00 C ATOM 826 C VAL A 55 -6.929 8.160 -0.102 1.00 0.00 C ATOM 827 O VAL A 55 -7.971 8.106 0.548 1.00 0.00 O ATOM 828 CB VAL A 55 -6.697 6.129 -1.565 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.741 7.022 -2.804 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.828 4.913 -1.882 1.00 0.00 C ATOM 0 H VAL A 55 -7.068 6.025 1.276 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.099 7.165 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.705 5.809 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.149 6.459 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.373 7.888 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.733 7.357 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.247 4.379 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.816 5.241 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.800 4.250 -1.017 1.00 0.00 H new ATOM 840 N GLN A 56 -6.437 9.294 -0.606 1.00 0.00 N ATOM 841 CA GLN A 56 -7.069 10.589 -0.424 1.00 0.00 C ATOM 842 C GLN A 56 -7.427 11.163 -1.788 1.00 0.00 C ATOM 843 O GLN A 56 -6.551 11.469 -2.597 1.00 0.00 O ATOM 844 CB GLN A 56 -6.111 11.499 0.347 1.00 0.00 C ATOM 845 CG GLN A 56 -6.717 12.865 0.676 1.00 0.00 C ATOM 846 CD GLN A 56 -7.844 12.744 1.696 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.600 12.705 2.900 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.083 12.682 1.224 1.00 0.00 N ATOM 0 H GLN A 56 -5.579 9.332 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.990 10.500 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.817 11.006 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.204 11.642 -0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.941 13.524 1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.098 13.325 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.248 12.717 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.870 12.599 1.867 1.00 0.00 H new ATOM 857 N TYR A 57 -8.729 11.305 -2.038 1.00 0.00 N ATOM 858 CA TYR A 57 -9.243 11.876 -3.272 1.00 0.00 C ATOM 859 C TYR A 57 -9.448 13.381 -3.118 1.00 0.00 C ATOM 860 O TYR A 57 -9.086 13.961 -2.095 1.00 0.00 O ATOM 861 CB TYR A 57 -10.556 11.188 -3.647 1.00 0.00 C ATOM 862 CG TYR A 57 -10.419 9.771 -4.153 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.540 9.479 -5.206 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.192 8.750 -3.584 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.469 8.181 -5.728 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.134 7.450 -4.106 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.278 7.166 -5.185 1.00 0.00 C ATOM 868 OH TYR A 57 -10.238 5.907 -5.698 1.00 0.00 O ATOM 0 H TYR A 57 -9.457 11.023 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.519 11.714 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.207 11.183 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.054 11.783 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.915 10.258 -5.616 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.833 8.965 -2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.796 7.960 -6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.746 6.668 -3.680 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.659 5.894 -6.489 1.00 0.00 H new ATOM 878 N VAL A 58 -10.031 14.011 -4.141 1.00 0.00 N ATOM 879 CA VAL A 58 -10.306 15.441 -4.122 1.00 0.00 C ATOM 880 C VAL A 58 -11.682 15.729 -3.513 1.00 0.00 C ATOM 881 O VAL A 58 -11.899 16.815 -2.974 1.00 0.00 O ATOM 882 CB VAL A 58 -10.213 15.991 -5.550 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.566 17.476 -5.604 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.792 15.833 -6.083 1.00 0.00 C ATOM 0 H VAL A 58 -10.322 13.543 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.565 15.938 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.921 15.426 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.489 17.831 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.585 17.621 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.876 18.037 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.738 16.227 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.100 16.382 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.521 14.777 -6.089 1.00 0.00 H new ATOM 894 N ASN A 59 -12.611 14.772 -3.595 1.00 0.00 N ATOM 895 CA ASN A 59 -13.969 14.951 -3.100 1.00 0.00 C ATOM 896 C ASN A 59 -14.582 13.626 -2.634 1.00 0.00 C ATOM 897 O ASN A 59 -13.989 12.559 -2.798 1.00 0.00 O ATOM 898 CB ASN A 59 -14.823 15.589 -4.194 1.00 0.00 C ATOM 899 CG ASN A 59 -14.913 14.707 -5.425 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.383 13.577 -5.358 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.463 15.215 -6.564 1.00 0.00 N ATOM 0 H ASN A 59 -12.438 13.855 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.938 15.609 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.825 15.779 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.399 16.555 -4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.502 14.662 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.078 16.159 -6.584 1.00 0.00 H new ATOM 908 N GLU A 60 -15.779 13.706 -2.050 1.00 0.00 N ATOM 909 CA GLU A 60 -16.485 12.557 -1.492 1.00 0.00 C ATOM 910 C GLU A 60 -17.010 11.625 -2.581 1.00 0.00 C ATOM 911 O GLU A 60 -17.091 10.415 -2.382 1.00 0.00 O ATOM 912 CB GLU A 60 -17.634 13.082 -0.632 1.00 0.00 C ATOM 913 CG GLU A 60 -18.652 11.982 -0.321 1.00 0.00 C ATOM 914 CD GLU A 60 -19.666 12.423 0.733 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.188 13.554 0.609 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.916 11.623 1.663 1.00 0.00 O ATOM 0 H GLU A 60 -16.290 14.583 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.793 11.969 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.237 13.486 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.131 13.903 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.177 11.704 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.129 11.092 0.029 1.00 0.00 H new ATOM 923 N ARG A 61 -17.366 12.192 -3.731 1.00 0.00 N ATOM 924 CA ARG A 61 -17.906 11.441 -4.850 1.00 0.00 C ATOM 925 C ARG A 61 -16.875 10.424 -5.338 1.00 0.00 C ATOM 926 O ARG A 61 -17.224 9.300 -5.689 1.00 0.00 O ATOM 927 CB ARG A 61 -18.310 12.473 -5.910 1.00 0.00 C ATOM 928 CG ARG A 61 -17.998 12.091 -7.357 1.00 0.00 C ATOM 929 CD ARG A 61 -18.874 10.935 -7.834 1.00 0.00 C ATOM 930 NE ARG A 61 -18.550 10.560 -9.214 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.894 9.400 -9.780 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.573 8.484 -9.093 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.560 9.150 -11.043 1.00 0.00 N ATOM 0 H ARG A 61 -17.285 13.193 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.784 10.853 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.381 12.655 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.808 13.414 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.151 12.955 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.948 11.812 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.735 10.075 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.924 11.220 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.027 11.229 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.836 8.664 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.830 7.602 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.041 9.844 -11.580 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.823 8.264 -11.474 1.00 0.00 H new ATOM 947 N ASN A 62 -15.603 10.813 -5.360 1.00 0.00 N ATOM 948 CA ASN A 62 -14.520 9.942 -5.797 1.00 0.00 C ATOM 949 C ASN A 62 -14.313 8.796 -4.801 1.00 0.00 C ATOM 950 O ASN A 62 -13.979 7.681 -5.204 1.00 0.00 O ATOM 951 CB ASN A 62 -13.246 10.786 -5.933 1.00 0.00 C ATOM 952 CG ASN A 62 -13.197 11.576 -7.237 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.185 11.574 -7.928 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.276 12.262 -7.597 1.00 0.00 N ATOM 0 H ASN A 62 -15.296 11.743 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.768 9.495 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.182 11.477 -5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.375 10.133 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.272 12.801 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.108 12.250 -7.007 1.00 0.00 H new ATOM 961 N ALA A 63 -14.504 9.051 -3.501 1.00 0.00 N ATOM 962 CA ALA A 63 -14.318 8.011 -2.500 1.00 0.00 C ATOM 963 C ALA A 63 -15.365 6.914 -2.637 1.00 0.00 C ATOM 964 O ALA A 63 -15.027 5.737 -2.558 1.00 0.00 O ATOM 965 CB ALA A 63 -14.361 8.611 -1.098 1.00 0.00 C ATOM 0 H ALA A 63 -14.784 9.958 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.339 7.561 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.221 7.821 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.567 9.350 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.326 9.091 -0.937 1.00 0.00 H new ATOM 971 N ARG A 64 -16.631 7.283 -2.839 1.00 0.00 N ATOM 972 CA ARG A 64 -17.703 6.302 -2.936 1.00 0.00 C ATOM 973 C ARG A 64 -17.635 5.566 -4.267 1.00 0.00 C ATOM 974 O ARG A 64 -18.206 4.487 -4.408 1.00 0.00 O ATOM 975 CB ARG A 64 -19.045 7.002 -2.726 1.00 0.00 C ATOM 976 CG ARG A 64 -19.052 7.607 -1.323 1.00 0.00 C ATOM 977 CD ARG A 64 -20.385 8.291 -1.036 1.00 0.00 C ATOM 978 NE ARG A 64 -20.362 8.949 0.275 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.372 8.318 1.453 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.454 6.994 1.541 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.302 9.022 2.576 1.00 0.00 N ATOM 0 H ARG A 64 -16.934 8.252 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.590 5.548 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.190 7.779 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.865 6.293 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.872 6.826 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.240 8.328 -1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.596 9.026 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.189 7.556 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.336 9.969 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.512 6.429 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.459 6.543 2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.241 10.039 2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.309 8.546 3.478 1.00 0.00 H new ATOM 995 N ALA A 65 -16.934 6.147 -5.242 1.00 0.00 N ATOM 996 CA ALA A 65 -16.713 5.501 -6.524 1.00 0.00 C ATOM 997 C ALA A 65 -15.819 4.276 -6.354 1.00 0.00 C ATOM 998 O ALA A 65 -16.088 3.235 -6.952 1.00 0.00 O ATOM 999 CB ALA A 65 -16.065 6.503 -7.481 1.00 0.00 C ATOM 0 H ALA A 65 -16.509 7.071 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.667 5.170 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.895 6.027 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.725 7.361 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.113 6.836 -7.069 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.761 4.387 -5.543 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.855 3.266 -5.315 1.00 0.00 C ATOM 1007 C ALA A 66 -14.272 2.411 -4.116 1.00 0.00 C ATOM 1008 O ALA A 66 -13.980 1.218 -4.082 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.443 3.808 -5.132 1.00 0.00 C ATOM 0 H ALA A 66 -14.516 5.239 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.894 2.609 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.755 2.980 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.142 4.350 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.420 4.482 -4.276 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.957 3.005 -3.132 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.447 2.266 -1.974 1.00 0.00 C ATOM 1017 C VAL A 67 -16.564 1.310 -2.389 1.00 0.00 C ATOM 1018 O VAL A 67 -16.851 0.349 -1.678 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.879 3.243 -0.872 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.758 2.569 0.174 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.639 3.803 -0.182 1.00 0.00 C ATOM 0 H VAL A 67 -15.183 4.000 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.645 1.653 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.457 4.038 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.041 3.296 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.655 2.176 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.207 1.752 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.941 4.498 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.067 2.986 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.021 4.326 -0.912 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.195 1.563 -3.541 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.181 0.654 -4.105 1.00 0.00 C ATOM 1033 C ALA A 68 -17.683 0.024 -5.409 1.00 0.00 C ATOM 1034 O ALA A 68 -18.307 -0.908 -5.913 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.490 1.408 -4.318 1.00 0.00 C ATOM 0 H ALA A 68 -17.033 2.400 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.349 -0.166 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.234 0.733 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.849 1.791 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.324 2.239 -5.003 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.568 0.522 -5.961 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.025 0.017 -7.211 1.00 0.00 C ATOM 1043 C GLY A 69 -14.957 -1.066 -7.025 1.00 0.00 C ATOM 1044 O GLY A 69 -14.819 -1.935 -7.884 1.00 0.00 O ATOM 0 H GLY A 69 -16.026 1.282 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.839 -0.387 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.595 0.847 -7.772 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.207 -1.025 -5.920 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.113 -1.963 -5.672 1.00 0.00 C ATOM 1050 C GLU A 70 -13.359 -2.812 -4.428 1.00 0.00 C ATOM 1051 O GLU A 70 -12.659 -3.799 -4.219 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.800 -1.185 -5.526 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.388 -0.484 -6.823 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.943 -1.478 -7.891 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -11.819 -2.017 -8.600 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.715 -1.699 -7.998 1.00 0.00 O ATOM 0 H GLU A 70 -14.342 -0.342 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.052 -2.643 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.907 -0.444 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.008 -1.868 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.225 0.103 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.577 0.214 -6.616 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.337 -2.458 -3.590 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.576 -3.217 -2.374 1.00 0.00 C ATOM 1065 C ASP A 71 -14.913 -4.671 -2.710 1.00 0.00 C ATOM 1066 O ASP A 71 -15.780 -4.938 -3.540 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.691 -2.562 -1.563 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.070 -3.414 -0.357 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.138 -3.848 0.358 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.289 -3.625 -0.159 1.00 0.00 O ATOM 0 H ASP A 71 -14.962 -1.665 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.670 -3.218 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.369 -1.576 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.566 -2.414 -2.196 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.221 -5.606 -2.054 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.445 -7.030 -2.241 1.00 0.00 C ATOM 1077 C GLY A 72 -13.659 -7.599 -3.422 1.00 0.00 C ATOM 1078 O GLY A 72 -13.940 -8.721 -3.845 1.00 0.00 O ATOM 0 H GLY A 72 -13.489 -5.390 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.162 -7.561 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.509 -7.209 -2.397 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.684 -6.855 -3.962 1.00 0.00 N ATOM 1083 CA ARG A 73 -11.896 -7.329 -5.094 1.00 0.00 C ATOM 1084 C ARG A 73 -10.642 -8.056 -4.626 1.00 0.00 C ATOM 1085 O ARG A 73 -10.227 -7.895 -3.483 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.555 -6.181 -6.045 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.337 -5.365 -5.599 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.775 -4.587 -6.784 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.055 -5.491 -7.692 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.360 -5.093 -8.760 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.301 -3.809 -9.098 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.714 -5.993 -9.497 1.00 0.00 N ATOM 0 H ARG A 73 -12.427 -5.925 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.502 -8.046 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.368 -6.586 -7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.417 -5.519 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.620 -4.677 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.573 -6.027 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.585 -4.092 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.103 -3.806 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.089 -6.491 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.791 -3.111 -8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.766 -3.521 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.752 -6.981 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.181 -5.695 -10.314 1.00 0.00 H new ATOM 1106 N MET A 74 -10.033 -8.850 -5.507 1.00 0.00 N ATOM 1107 CA MET A 74 -8.798 -9.548 -5.189 1.00 0.00 C ATOM 1108 C MET A 74 -7.590 -8.812 -5.755 1.00 0.00 C ATOM 1109 O MET A 74 -7.625 -8.315 -6.881 1.00 0.00 O ATOM 1110 CB MET A 74 -8.865 -10.990 -5.690 1.00 0.00 C ATOM 1111 CG MET A 74 -7.509 -11.669 -5.493 1.00 0.00 C ATOM 1112 SD MET A 74 -7.574 -13.473 -5.448 1.00 0.00 S ATOM 1113 CE MET A 74 -8.306 -13.639 -3.800 1.00 0.00 C ATOM 0 H MET A 74 -10.381 -9.023 -6.450 1.00 0.00 H new ATOM 0 HA MET A 74 -8.679 -9.571 -4.106 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.638 -11.537 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.141 -11.006 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.843 -11.362 -6.299 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.069 -11.311 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.733 -14.361 -3.218 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.290 -12.673 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.336 -13.983 -3.892 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.522 -8.752 -4.952 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.241 -8.175 -5.329 1.00 0.00 C ATOM 1125 C ILE A 75 -4.144 -9.005 -4.664 1.00 0.00 C ATOM 1126 O ILE A 75 -4.245 -9.341 -3.487 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.156 -6.712 -4.877 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.332 -5.903 -5.442 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -3.825 -6.091 -5.321 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.388 -4.470 -4.915 1.00 0.00 C ATOM 0 H ILE A 75 -6.532 -9.115 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.124 -8.190 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.209 -6.687 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.259 -5.880 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.265 -6.410 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.780 -5.053 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.999 -6.647 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.749 -6.131 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.242 -3.954 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.491 -4.485 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.470 -3.947 -5.185 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.097 -9.334 -5.426 1.00 0.00 N ATOM 1143 CA ALA A 76 -1.955 -10.109 -4.958 1.00 0.00 C ATOM 1144 C ALA A 76 -2.321 -11.429 -4.265 1.00 0.00 C ATOM 1145 O ALA A 76 -1.494 -11.994 -3.552 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.062 -9.223 -4.092 1.00 0.00 C ATOM 0 H ALA A 76 -3.023 -9.061 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.401 -10.428 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.207 -9.801 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.710 -8.375 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.631 -8.860 -3.236 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.545 -11.933 -4.461 1.00 0.00 N ATOM 1153 CA GLY A 77 -3.946 -13.241 -3.955 1.00 0.00 C ATOM 1154 C GLY A 77 -4.881 -13.178 -2.748 1.00 0.00 C ATOM 1155 O GLY A 77 -5.298 -14.224 -2.257 1.00 0.00 O ATOM 0 H GLY A 77 -4.279 -11.444 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.438 -13.794 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.053 -13.803 -3.682 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.221 -11.977 -2.263 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.174 -11.814 -1.169 1.00 0.00 C ATOM 1161 C GLN A 78 -7.190 -10.734 -1.511 1.00 0.00 C ATOM 1162 O GLN A 78 -6.959 -9.898 -2.384 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.468 -11.450 0.139 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.722 -12.642 0.742 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.238 -12.337 0.875 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.734 -12.102 1.968 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.534 -12.343 -0.250 1.00 0.00 N ATOM 0 H GLN A 78 -4.843 -11.099 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.683 -12.768 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.765 -10.637 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.202 -11.082 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.138 -12.880 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.863 -13.521 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.994 -12.544 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.533 -12.147 -0.226 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.326 -10.754 -0.812 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.368 -9.755 -0.976 1.00 0.00 C ATOM 1178 C VAL A 79 -9.198 -8.680 0.086 1.00 0.00 C ATOM 1179 O VAL A 79 -8.776 -8.958 1.207 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.753 -10.402 -0.912 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -11.871 -9.362 -1.003 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -10.920 -11.386 -2.071 1.00 0.00 C ATOM 0 H VAL A 79 -8.544 -11.467 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.280 -9.290 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.826 -10.915 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.838 -9.862 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.783 -8.660 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.789 -8.822 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.908 -11.844 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.814 -10.855 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.157 -12.161 -2.003 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.539 -7.446 -0.280 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.429 -6.289 0.584 1.00 0.00 C ATOM 1194 C LEU A 80 -10.812 -5.705 0.839 1.00 0.00 C ATOM 1195 O LEU A 80 -11.664 -5.672 -0.046 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.432 -5.241 0.055 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.147 -5.192 -1.453 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.434 -6.442 -1.968 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.423 -4.945 -2.245 1.00 0.00 C ATOM 0 H LEU A 80 -9.906 -7.226 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.013 -6.616 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.795 -4.258 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.483 -5.400 0.566 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.467 -4.354 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.261 -6.347 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.479 -6.554 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.053 -7.319 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.191 -4.915 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.133 -5.749 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.861 -3.994 -1.942 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.013 -5.250 2.073 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.282 -4.724 2.541 1.00 0.00 C ATOM 1213 C ASP A 81 -12.187 -3.205 2.560 1.00 0.00 C ATOM 1214 O ASP A 81 -11.535 -2.621 3.429 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.570 -5.323 3.919 1.00 0.00 C ATOM 1216 CG ASP A 81 -12.843 -6.821 3.808 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -11.866 -7.596 3.901 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.030 -7.178 3.633 1.00 0.00 O ATOM 0 H ASP A 81 -10.282 -5.238 2.785 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.111 -4.994 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.721 -5.151 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.429 -4.823 4.366 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.843 -2.564 1.593 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.746 -1.131 1.388 1.00 0.00 C ATOM 1225 C ILE A 82 -13.987 -0.436 1.940 1.00 0.00 C ATOM 1226 O ILE A 82 -15.096 -0.955 1.823 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.527 -0.872 -0.107 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.237 -1.563 -0.564 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.441 0.628 -0.382 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.158 -1.620 -2.088 1.00 0.00 C ATOM 0 H ILE A 82 -13.459 -3.033 0.929 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.898 -0.713 1.931 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.372 -1.278 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.374 -1.026 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.197 -2.573 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.285 0.794 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.369 1.109 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.607 1.053 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.234 -2.115 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.010 -2.178 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.174 -0.607 -2.491 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.801 0.741 2.543 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.886 1.479 3.172 1.00 0.00 C ATOM 1244 C ASN A 83 -14.553 2.968 3.237 1.00 0.00 C ATOM 1245 O ASN A 83 -13.402 3.361 3.052 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.098 0.911 4.582 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.410 1.370 5.211 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.471 0.847 4.889 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.358 2.347 6.111 1.00 0.00 N ATOM 0 H ASN A 83 -12.894 1.204 2.606 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.799 1.371 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.083 -0.178 4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.268 1.215 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.215 2.680 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.461 2.764 6.360 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.562 3.801 3.504 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.346 5.222 3.723 1.00 0.00 C ATOM 1258 C LEU A 84 -14.524 5.390 4.998 1.00 0.00 C ATOM 1259 O LEU A 84 -14.653 4.591 5.927 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.705 5.921 3.841 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.896 7.094 2.875 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -15.906 8.208 3.183 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.730 6.679 1.418 1.00 0.00 C ATOM 0 H LEU A 84 -16.537 3.509 3.573 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.804 5.671 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.493 5.189 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.827 6.283 4.862 1.00 0.00 H new ATOM 0 HG LEU A 84 -17.917 7.448 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.057 9.032 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.061 8.561 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -14.889 7.829 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.875 7.546 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.728 6.278 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.468 5.916 1.171 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.677 6.420 5.061 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.774 6.587 6.190 1.00 0.00 C ATOM 1277 C ALA A 85 -13.471 7.167 7.420 1.00 0.00 C ATOM 1278 O ALA A 85 -12.846 7.305 8.470 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.605 7.469 5.765 1.00 0.00 C ATOM 0 H ALA A 85 -13.601 7.144 4.346 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.412 5.601 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.923 7.599 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.075 6.997 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.980 8.442 5.448 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.754 7.506 7.298 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.531 8.057 8.395 1.00 0.00 C ATOM 1287 C ALA A 86 -16.763 7.208 8.691 1.00 0.00 C ATOM 1288 O ALA A 86 -17.662 7.651 9.405 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.912 9.493 8.060 1.00 0.00 C ATOM 0 H ALA A 86 -15.281 7.404 6.430 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.924 8.049 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.496 9.915 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.008 10.085 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.505 9.508 7.146 1.00 0.00 H new ATOM 1295 N GLU A 87 -16.815 5.988 8.146 1.00 0.00 N ATOM 1296 CA GLU A 87 -17.947 5.096 8.353 1.00 0.00 C ATOM 1297 C GLU A 87 -17.545 3.759 8.984 1.00 0.00 C ATOM 1298 O GLU A 87 -17.987 2.710 8.519 1.00 0.00 O ATOM 1299 CB GLU A 87 -18.746 4.938 7.057 1.00 0.00 C ATOM 1300 CG GLU A 87 -19.242 6.301 6.569 1.00 0.00 C ATOM 1301 CD GLU A 87 -20.268 6.164 5.446 1.00 0.00 C ATOM 1302 OE1 GLU A 87 -21.286 5.474 5.671 1.00 0.00 O ATOM 1303 OE2 GLU A 87 -20.032 6.747 4.364 1.00 0.00 O ATOM 0 H GLU A 87 -16.079 5.600 7.556 1.00 0.00 H new ATOM 0 HA GLU A 87 -18.606 5.558 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.123 4.475 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -19.594 4.273 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -19.686 6.845 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.396 6.891 6.218 1.00 0.00 H new ATOM 1310 N PRO A 88 -16.711 3.762 10.040 1.00 0.00 N ATOM 1311 CA PRO A 88 -16.317 2.568 10.772 1.00 0.00 C ATOM 1312 C PRO A 88 -17.432 2.078 11.699 1.00 0.00 C ATOM 1313 O PRO A 88 -17.153 1.476 12.731 1.00 0.00 O ATOM 1314 CB PRO A 88 -15.077 2.978 11.564 1.00 0.00 C ATOM 1315 CG PRO A 88 -15.391 4.430 11.909 1.00 0.00 C ATOM 1316 CD PRO A 88 -16.071 4.924 10.635 1.00 0.00 C ATOM 0 HA PRO A 88 -16.114 1.735 10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.941 2.366 12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.166 2.886 10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.045 4.510 12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.489 4.999 12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -16.803 5.699 10.860 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.344 5.361 9.950 1.00 0.00 H new ATOM 1324 N LYS A 89 -18.699 2.332 11.345 1.00 0.00 N ATOM 1325 CA LYS A 89 -19.840 1.913 12.155 1.00 0.00 C ATOM 1326 C LYS A 89 -19.996 0.391 12.111 1.00 0.00 C ATOM 1327 O LYS A 89 -20.815 -0.169 12.838 1.00 0.00 O ATOM 1328 CB LYS A 89 -21.112 2.617 11.667 1.00 0.00 C ATOM 1329 CG LYS A 89 -21.246 4.053 12.192 1.00 0.00 C ATOM 1330 CD LYS A 89 -20.108 4.973 11.740 1.00 0.00 C ATOM 1331 CE LYS A 89 -20.416 6.402 12.194 1.00 0.00 C ATOM 1332 NZ LYS A 89 -19.337 7.338 11.826 1.00 0.00 N ATOM 0 H LYS A 89 -18.956 2.831 10.493 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.667 2.199 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.115 2.633 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -21.982 2.040 11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.195 4.469 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.276 4.033 13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.161 4.638 12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.002 4.937 10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.353 6.732 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.558 6.418 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.700 8.312 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.551 7.245 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.998 7.118 10.868 1.00 0.00 H new ATOM 1346 N VAL A 90 -19.209 -0.276 11.258 1.00 0.00 N ATOM 1347 CA VAL A 90 -19.158 -1.726 11.145 1.00 0.00 C ATOM 1348 C VAL A 90 -18.090 -2.276 12.088 1.00 0.00 C ATOM 1349 O VAL A 90 -17.243 -1.529 12.578 1.00 0.00 O ATOM 1350 CB VAL A 90 -18.936 -2.100 9.671 1.00 0.00 C ATOM 1351 CG1 VAL A 90 -17.599 -1.570 9.152 1.00 0.00 C ATOM 1352 CG2 VAL A 90 -18.996 -3.610 9.440 1.00 0.00 C ATOM 0 H VAL A 90 -18.576 0.197 10.613 1.00 0.00 H new ATOM 0 HA VAL A 90 -20.099 -2.183 11.452 1.00 0.00 H new ATOM 0 HB VAL A 90 -19.750 -1.631 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -17.476 -1.854 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -17.580 -0.484 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -16.786 -1.995 9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -18.833 -3.823 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -18.223 -4.100 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -19.975 -3.985 9.739 1.00 0.00 H new ATOM 1362 N ASN A 91 -18.124 -3.584 12.346 1.00 0.00 N ATOM 1363 CA ASN A 91 -17.214 -4.258 13.262 1.00 0.00 C ATOM 1364 C ASN A 91 -15.772 -4.280 12.742 1.00 0.00 C ATOM 1365 O ASN A 91 -14.896 -4.892 13.353 1.00 0.00 O ATOM 1366 CB ASN A 91 -17.710 -5.685 13.504 1.00 0.00 C ATOM 1367 CG ASN A 91 -19.225 -5.760 13.637 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -19.771 -5.674 14.731 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -19.907 -5.920 12.507 1.00 0.00 N ATOM 0 H ASN A 91 -18.800 -4.214 11.913 1.00 0.00 H new ATOM 0 HA ASN A 91 -17.204 -3.699 14.197 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -17.389 -6.323 12.680 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -17.249 -6.078 14.410 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -20.925 -5.976 12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -19.412 -5.987 11.618 1.00 0.00 H new ATOM 1376 N ARG A 92 -15.536 -3.613 11.608 1.00 0.00 N ATOM 1377 CA ARG A 92 -14.285 -3.551 10.872 1.00 0.00 C ATOM 1378 C ARG A 92 -13.692 -4.901 10.485 1.00 0.00 C ATOM 1379 O ARG A 92 -12.584 -4.958 9.959 1.00 0.00 O ATOM 1380 CB ARG A 92 -13.300 -2.638 11.606 1.00 0.00 C ATOM 1381 CG ARG A 92 -12.504 -1.838 10.580 1.00 0.00 C ATOM 1382 CD ARG A 92 -11.453 -0.965 11.264 1.00 0.00 C ATOM 1383 NE ARG A 92 -12.055 0.034 12.153 1.00 0.00 N ATOM 1384 CZ ARG A 92 -11.407 0.604 13.171 1.00 0.00 C ATOM 1385 NH1 ARG A 92 -10.142 0.283 13.444 1.00 0.00 N ATOM 1386 NH2 ARG A 92 -12.024 1.506 13.928 1.00 0.00 N ATOM 0 H ARG A 92 -16.269 -3.067 11.155 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.512 -3.111 9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.837 -1.965 12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.627 -3.231 12.225 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.018 -2.518 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.180 -1.211 9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.775 -1.597 11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.854 -0.460 10.506 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.023 0.308 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.656 -0.407 12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.660 0.728 14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.991 1.762 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.530 1.942 14.706 1.00 0.00 H new ATOM 1400 N GLY A 93 -14.432 -5.977 10.742 1.00 0.00 N ATOM 1401 CA GLY A 93 -14.083 -7.349 10.399 1.00 0.00 C ATOM 1402 C GLY A 93 -12.860 -7.866 11.154 1.00 0.00 C ATOM 1403 O GLY A 93 -12.981 -8.757 11.992 1.00 0.00 O ATOM 0 H GLY A 93 -15.332 -5.911 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.933 -7.997 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.894 -7.412 9.327 1.00 0.00 H new ATOM 1407 N LYS A 94 -11.697 -7.290 10.840 1.00 0.00 N ATOM 1408 CA LYS A 94 -10.372 -7.696 11.280 1.00 0.00 C ATOM 1409 C LYS A 94 -10.010 -9.121 10.872 1.00 0.00 C ATOM 1410 O LYS A 94 -10.848 -10.021 10.880 1.00 0.00 O ATOM 1411 CB LYS A 94 -10.188 -7.444 12.772 1.00 0.00 C ATOM 1412 CG LYS A 94 -10.567 -6.003 13.112 1.00 0.00 C ATOM 1413 CD LYS A 94 -10.104 -5.626 14.520 1.00 0.00 C ATOM 1414 CE LYS A 94 -10.760 -6.521 15.569 1.00 0.00 C ATOM 1415 NZ LYS A 94 -10.335 -6.138 16.931 1.00 0.00 N ATOM 0 H LYS A 94 -11.660 -6.473 10.230 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.658 -7.064 10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.806 -8.136 13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.153 -7.632 13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.119 -5.325 12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.648 -5.881 13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.020 -5.716 14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.350 -4.583 14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.845 -6.447 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.496 -7.562 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.794 -6.761 17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.302 -6.231 17.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.609 -5.152 17.116 1.00 0.00 H new ATOM 1429 N ALA A 95 -8.736 -9.299 10.518 1.00 0.00 N ATOM 1430 CA ALA A 95 -8.161 -10.544 10.034 1.00 0.00 C ATOM 1431 C ALA A 95 -8.855 -11.107 8.788 1.00 0.00 C ATOM 1432 O ALA A 95 -9.968 -10.716 8.437 1.00 0.00 O ATOM 1433 CB ALA A 95 -8.109 -11.551 11.182 1.00 0.00 C ATOM 0 H ALA A 95 -8.052 -8.544 10.565 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.147 -10.332 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.679 -12.487 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.493 -11.152 11.988 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.118 -11.733 11.552 1.00 0.00 H new ATOM 1439 N GLY A 96 -8.182 -12.044 8.113 1.00 0.00 N ATOM 1440 CA GLY A 96 -8.719 -12.724 6.940 1.00 0.00 C ATOM 1441 C GLY A 96 -9.620 -13.895 7.326 1.00 0.00 C ATOM 1442 O GLY A 96 -10.053 -14.657 6.462 1.00 0.00 O ATOM 0 H GLY A 96 -7.244 -12.351 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.284 -12.014 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.897 -13.086 6.322 1.00 0.00 H new ATOM 1446 N VAL A 97 -9.902 -14.041 8.625 1.00 0.00 N ATOM 1447 CA VAL A 97 -10.693 -15.144 9.159 1.00 0.00 C ATOM 1448 C VAL A 97 -12.179 -14.935 8.887 1.00 0.00 C ATOM 1449 O VAL A 97 -12.946 -15.895 8.835 1.00 0.00 O ATOM 1450 CB VAL A 97 -10.435 -15.242 10.668 1.00 0.00 C ATOM 1451 CG1 VAL A 97 -11.121 -16.471 11.259 1.00 0.00 C ATOM 1452 CG2 VAL A 97 -8.934 -15.338 10.948 1.00 0.00 C ATOM 0 H VAL A 97 -9.582 -13.387 9.339 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.398 -16.071 8.668 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.842 -14.343 11.131 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.923 -16.518 12.330 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -12.196 -16.404 11.091 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.734 -17.370 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.768 -15.407 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.529 -16.225 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.434 -14.451 10.560 1.00 0.00 H new ATOM 1462 N LYS A 98 -12.589 -13.676 8.713 1.00 0.00 N ATOM 1463 CA LYS A 98 -13.983 -13.321 8.477 1.00 0.00 C ATOM 1464 C LYS A 98 -14.366 -13.565 7.022 1.00 0.00 C ATOM 1465 O LYS A 98 -13.503 -13.651 6.149 1.00 0.00 O ATOM 1466 CB LYS A 98 -14.208 -11.861 8.876 1.00 0.00 C ATOM 1467 CG LYS A 98 -13.855 -11.595 10.342 1.00 0.00 C ATOM 1468 CD LYS A 98 -14.694 -12.441 11.299 1.00 0.00 C ATOM 1469 CE LYS A 98 -14.251 -12.198 12.741 1.00 0.00 C ATOM 1470 NZ LYS A 98 -14.511 -10.811 13.174 1.00 0.00 N ATOM 0 H LYS A 98 -11.958 -12.875 8.733 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.625 -13.954 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.605 -11.216 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.251 -11.596 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.798 -11.806 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.007 -10.539 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.749 -12.191 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.588 -13.497 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.775 -12.888 13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.187 -12.413 12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.372 -10.736 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.855 -10.167 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.490 -10.551 12.937 1.00 0.00 H new ATOM 1484 N ARG A 99 -15.673 -13.676 6.764 1.00 0.00 N ATOM 1485 CA ARG A 99 -16.220 -13.936 5.436 1.00 0.00 C ATOM 1486 C ARG A 99 -17.125 -12.789 4.995 1.00 0.00 C ATOM 1487 O ARG A 99 -17.530 -11.952 5.801 1.00 0.00 O ATOM 1488 CB ARG A 99 -16.990 -15.265 5.431 1.00 0.00 C ATOM 1489 CG ARG A 99 -16.106 -16.449 5.033 1.00 0.00 C ATOM 1490 CD ARG A 99 -15.043 -16.729 6.093 1.00 0.00 C ATOM 1491 NE ARG A 99 -14.145 -17.814 5.680 1.00 0.00 N ATOM 1492 CZ ARG A 99 -12.838 -17.663 5.448 1.00 0.00 C ATOM 1493 NH1 ARG A 99 -12.251 -16.476 5.570 1.00 0.00 N ATOM 1494 NH2 ARG A 99 -12.104 -18.715 5.092 1.00 0.00 N ATOM 0 H ARG A 99 -16.388 -13.586 7.485 1.00 0.00 H new ATOM 0 HA ARG A 99 -15.395 -14.010 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -17.408 -15.444 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -17.829 -15.193 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.724 -17.336 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.624 -16.241 4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.463 -15.825 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.526 -16.993 7.034 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.545 -18.745 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.800 -15.661 5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.252 -16.380 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.540 -19.632 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.106 -18.604 4.914 1.00 0.00 H new ATOM 1508 N SER A 100 -17.442 -12.767 3.702 1.00 0.00 N ATOM 1509 CA SER A 100 -18.322 -11.768 3.118 1.00 0.00 C ATOM 1510 C SER A 100 -19.771 -12.085 3.467 1.00 0.00 C ATOM 1511 O SER A 100 -20.118 -13.245 3.688 1.00 0.00 O ATOM 1512 CB SER A 100 -18.133 -11.753 1.602 1.00 0.00 C ATOM 1513 OG SER A 100 -18.971 -10.783 1.014 1.00 0.00 O ATOM 0 H SER A 100 -17.091 -13.448 3.029 1.00 0.00 H new ATOM 0 HA SER A 100 -18.076 -10.785 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 100 -17.092 -11.539 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.360 -12.737 1.191 1.00 0.00 H new ATOM 0 HG SER A 100 -18.839 -10.782 0.043 1.00 0.00 H new ATOM 1519 N ALA A 101 -20.628 -11.064 3.516 1.00 0.00 N ATOM 1520 CA ALA A 101 -22.033 -11.255 3.841 1.00 0.00 C ATOM 1521 C ALA A 101 -22.764 -12.021 2.732 1.00 0.00 C ATOM 1522 O ALA A 101 -23.931 -12.377 2.891 1.00 0.00 O ATOM 1523 CB ALA A 101 -22.677 -9.890 4.087 1.00 0.00 C ATOM 0 H ALA A 101 -20.368 -10.095 3.333 1.00 0.00 H new ATOM 0 HA ALA A 101 -22.111 -11.858 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -23.731 -10.024 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -22.172 -9.394 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -22.587 -9.278 3.189 1.00 0.00 H new ATOM 1529 N ALA A 102 -22.080 -12.273 1.611 1.00 0.00 N ATOM 1530 CA ALA A 102 -22.620 -13.036 0.499 1.00 0.00 C ATOM 1531 C ALA A 102 -22.013 -14.438 0.435 1.00 0.00 C ATOM 1532 O ALA A 102 -22.429 -15.254 -0.388 1.00 0.00 O ATOM 1533 CB ALA A 102 -22.335 -12.271 -0.789 1.00 0.00 C ATOM 0 H ALA A 102 -21.126 -11.946 1.456 1.00 0.00 H new ATOM 0 HA ALA A 102 -23.694 -13.160 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -22.733 -12.827 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -22.810 -11.291 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -21.259 -12.147 -0.908 1.00 0.00 H new ATOM 1539 N GLU A 103 -21.031 -14.717 1.298 1.00 0.00 N ATOM 1540 CA GLU A 103 -20.342 -16.002 1.341 1.00 0.00 C ATOM 1541 C GLU A 103 -20.447 -16.641 2.728 1.00 0.00 C ATOM 1542 O GLU A 103 -19.806 -17.658 2.996 1.00 0.00 O ATOM 1543 CB GLU A 103 -18.878 -15.823 0.928 1.00 0.00 C ATOM 1544 CG GLU A 103 -18.766 -15.269 -0.494 1.00 0.00 C ATOM 1545 CD GLU A 103 -17.303 -15.167 -0.923 1.00 0.00 C ATOM 1546 OE1 GLU A 103 -16.616 -14.247 -0.427 1.00 0.00 O ATOM 1547 OE2 GLU A 103 -16.882 -16.012 -1.748 1.00 0.00 O ATOM 0 H GLU A 103 -20.692 -14.049 1.990 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.825 -16.677 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.381 -15.147 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.361 -16.780 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.308 -15.915 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.234 -14.286 -0.544 1.00 0.00 H new ATOM 1554 N MET A 104 -21.251 -16.050 3.614 1.00 0.00 N ATOM 1555 CA MET A 104 -21.432 -16.571 4.962 1.00 0.00 C ATOM 1556 C MET A 104 -22.254 -17.856 4.936 1.00 0.00 C ATOM 1557 O MET A 104 -23.269 -17.936 4.243 1.00 0.00 O ATOM 1558 CB MET A 104 -22.103 -15.514 5.845 1.00 0.00 C ATOM 1559 CG MET A 104 -21.063 -14.637 6.530 1.00 0.00 C ATOM 1560 SD MET A 104 -20.060 -15.529 7.742 1.00 0.00 S ATOM 1561 CE MET A 104 -19.131 -14.118 8.378 1.00 0.00 C ATOM 0 H MET A 104 -21.788 -15.206 3.416 1.00 0.00 H new ATOM 0 HA MET A 104 -20.454 -16.807 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 104 -22.764 -14.895 5.239 1.00 0.00 H new ATOM 0 HB3 MET A 104 -22.724 -16.003 6.596 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.407 -14.205 5.774 1.00 0.00 H new ATOM 0 HG3 MET A 104 -21.567 -13.808 7.026 1.00 0.00 H new ATOM 0 HE1 MET A 104 -18.441 -14.455 9.152 1.00 0.00 H new ATOM 0 HE2 MET A 104 -18.569 -13.657 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 104 -19.822 -13.388 8.801 1.00 0.00 H new ATOM 1571 N TYR A 105 -21.804 -18.859 5.700 1.00 0.00 N ATOM 1572 CA TYR A 105 -22.432 -20.167 5.844 1.00 0.00 C ATOM 1573 C TYR A 105 -22.719 -20.872 4.516 1.00 0.00 C ATOM 1574 O TYR A 105 -23.414 -21.887 4.482 1.00 0.00 O ATOM 1575 CB TYR A 105 -23.684 -20.018 6.701 1.00 0.00 C ATOM 1576 CG TYR A 105 -23.383 -19.733 8.156 1.00 0.00 C ATOM 1577 CD1 TYR A 105 -22.810 -18.508 8.523 1.00 0.00 C ATOM 1578 CD2 TYR A 105 -23.674 -20.694 9.136 1.00 0.00 C ATOM 1579 CE1 TYR A 105 -22.530 -18.236 9.872 1.00 0.00 C ATOM 1580 CE2 TYR A 105 -23.402 -20.431 10.487 1.00 0.00 C ATOM 1581 CZ TYR A 105 -22.828 -19.195 10.860 1.00 0.00 C ATOM 1582 OH TYR A 105 -22.565 -18.932 12.171 1.00 0.00 O ATOM 0 H TYR A 105 -20.954 -18.771 6.257 1.00 0.00 H new ATOM 0 HA TYR A 105 -21.720 -20.825 6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -24.297 -19.211 6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -24.274 -20.932 6.632 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -22.583 -17.771 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -24.109 -21.640 8.849 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -22.086 -17.292 10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -23.631 -21.171 11.240 1.00 0.00 H new ATOM 0 HH TYR A 105 -22.833 -19.699 12.719 1.00 0.00 H new ATOM 1592 N GLY A 106 -22.180 -20.334 3.422 1.00 0.00 N ATOM 1593 CA GLY A 106 -22.327 -20.903 2.093 1.00 0.00 C ATOM 1594 C GLY A 106 -21.553 -20.094 1.061 1.00 0.00 C ATOM 1595 O GLY A 106 -20.918 -19.100 1.403 1.00 0.00 O ATOM 1596 OXT GLY A 106 -21.546 -20.412 -0.116 1.00 0.00 O ATOM 0 H GLY A 106 -21.623 -19.480 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -21.971 -21.933 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -23.382 -20.931 1.821 1.00 0.00 H new TER 1600 GLY A 106 ATOM 1601 O5' A B 1 4.126 -13.522 9.083 1.00 0.00 O ATOM 1602 C5' A B 1 3.469 -12.390 8.549 1.00 0.00 C ATOM 1603 C4' A B 1 3.644 -11.202 9.498 1.00 0.00 C ATOM 1604 O4' A B 1 4.989 -10.759 9.495 1.00 0.00 O ATOM 1605 C3' A B 1 2.828 -10.016 8.989 1.00 0.00 C ATOM 1606 O3' A B 1 2.647 -9.048 10.006 1.00 0.00 O ATOM 1607 C2' A B 1 3.761 -9.484 7.913 1.00 0.00 C ATOM 1608 O2' A B 1 3.548 -8.101 7.701 1.00 0.00 O ATOM 1609 C1' A B 1 5.144 -9.772 8.485 1.00 0.00 C ATOM 1610 N9 A B 1 6.078 -10.165 7.403 1.00 0.00 N ATOM 1611 C8 A B 1 6.422 -9.432 6.295 1.00 0.00 C ATOM 1612 N7 A B 1 7.271 -10.025 5.502 1.00 0.00 N ATOM 1613 C5 A B 1 7.510 -11.244 6.130 1.00 0.00 C ATOM 1614 C6 A B 1 8.322 -12.348 5.803 1.00 0.00 C ATOM 1615 N6 A B 1 9.083 -12.409 4.708 1.00 0.00 N ATOM 1616 N1 A B 1 8.344 -13.398 6.634 1.00 0.00 N ATOM 1617 C2 A B 1 7.597 -13.358 7.729 1.00 0.00 C ATOM 1618 N3 A B 1 6.792 -12.392 8.151 1.00 0.00 N ATOM 1619 C4 A B 1 6.792 -11.340 7.294 1.00 0.00 C ATOM 0 H5' A B 1 2.409 -12.604 8.409 1.00 0.00 H new ATOM 0 H5'' A B 1 3.878 -12.148 7.568 1.00 0.00 H new ATOM 0 H4' A B 1 3.331 -11.527 10.490 1.00 0.00 H new ATOM 0 H3' A B 1 1.823 -10.269 8.650 1.00 0.00 H new ATOM 0 H2' A B 1 3.611 -9.943 6.936 1.00 0.00 H new ATOM 0 HO2' A B 1 3.042 -7.729 8.453 1.00 0.00 H new ATOM 0 HO5' A B 1 5.088 -13.453 8.910 1.00 0.00 H new ATOM 0 H1' A B 1 5.588 -8.886 8.938 1.00 0.00 H new ATOM 0 H8 A B 1 6.024 -8.448 6.097 1.00 0.00 H new ATOM 0 H61 A B 1 9.650 -13.237 4.526 1.00 0.00 H new ATOM 0 H62 A B 1 9.098 -11.627 4.053 1.00 0.00 H new ATOM 0 H2 A B 1 7.652 -14.230 8.363 1.00 0.00 H new ATOM 1631 P U B 2 1.473 -9.202 11.093 1.00 0.00 P ATOM 1632 OP1 U B 2 1.698 -8.203 12.163 1.00 0.00 O ATOM 1633 OP2 U B 2 1.337 -10.633 11.440 1.00 0.00 O ATOM 1634 O5' U B 2 0.165 -8.769 10.261 1.00 0.00 O ATOM 1635 C5' U B 2 -0.154 -7.407 10.061 1.00 0.00 C ATOM 1636 C4' U B 2 -1.475 -7.251 9.300 1.00 0.00 C ATOM 1637 O4' U B 2 -1.266 -7.472 7.904 1.00 0.00 O ATOM 1638 C3' U B 2 -2.511 -8.272 9.778 1.00 0.00 C ATOM 1639 O3' U B 2 -3.821 -7.738 9.706 1.00 0.00 O ATOM 1640 C2' U B 2 -2.331 -9.372 8.741 1.00 0.00 C ATOM 1641 O2' U B 2 -3.457 -10.225 8.644 1.00 0.00 O ATOM 1642 C1' U B 2 -2.095 -8.547 7.488 1.00 0.00 C ATOM 1643 N1 U B 2 -1.450 -9.385 6.460 1.00 0.00 N ATOM 1644 C2 U B 2 -2.197 -9.755 5.347 1.00 0.00 C ATOM 1645 O2 U B 2 -3.342 -9.352 5.155 1.00 0.00 O ATOM 1646 N3 U B 2 -1.579 -10.614 4.453 1.00 0.00 N ATOM 1647 C4 U B 2 -0.296 -11.120 4.574 1.00 0.00 C ATOM 1648 O4 U B 2 0.151 -11.894 3.732 1.00 0.00 O ATOM 1649 C5 U B 2 0.415 -10.652 5.742 1.00 0.00 C ATOM 1650 C6 U B 2 -0.160 -9.808 6.626 1.00 0.00 C ATOM 0 H5' U B 2 0.648 -6.921 9.505 1.00 0.00 H new ATOM 0 H5'' U B 2 -0.225 -6.903 11.025 1.00 0.00 H new ATOM 0 H4' U B 2 -1.838 -6.240 9.484 1.00 0.00 H new ATOM 0 H3' U B 2 -2.382 -8.590 10.813 1.00 0.00 H new ATOM 0 H2' U B 2 -1.528 -10.074 8.966 1.00 0.00 H new ATOM 0 HO2' U B 2 -4.265 -9.729 8.891 1.00 0.00 H new ATOM 0 H1' U B 2 -3.015 -8.171 7.041 1.00 0.00 H new ATOM 0 H3 U B 2 -2.116 -10.899 3.634 1.00 0.00 H new ATOM 0 H5 U B 2 1.428 -10.984 5.912 1.00 0.00 H new ATOM 0 H6 U B 2 0.408 -9.462 7.477 1.00 0.00 H new ATOM 1661 P U B 3 -4.372 -6.764 10.861 1.00 0.00 P ATOM 1662 OP1 U B 3 -3.238 -6.378 11.731 1.00 0.00 O ATOM 1663 OP2 U B 3 -5.568 -7.401 11.461 1.00 0.00 O ATOM 1664 O5' U B 3 -4.849 -5.448 10.067 1.00 0.00 O ATOM 1665 C5' U B 3 -5.988 -5.481 9.232 1.00 0.00 C ATOM 1666 C4' U B 3 -6.465 -4.055 8.957 1.00 0.00 C ATOM 1667 O4' U B 3 -7.460 -4.084 7.943 1.00 0.00 O ATOM 1668 C3' U B 3 -7.108 -3.485 10.224 1.00 0.00 C ATOM 1669 O3' U B 3 -7.050 -2.070 10.233 1.00 0.00 O ATOM 1670 C2' U B 3 -8.520 -4.027 10.038 1.00 0.00 C ATOM 1671 O2' U B 3 -9.500 -3.330 10.772 1.00 0.00 O ATOM 1672 C1' U B 3 -8.729 -3.870 8.539 1.00 0.00 C ATOM 1673 N1 U B 3 -9.758 -4.824 8.068 1.00 0.00 N ATOM 1674 C2 U B 3 -10.915 -4.317 7.492 1.00 0.00 C ATOM 1675 O2 U B 3 -11.092 -3.116 7.305 1.00 0.00 O ATOM 1676 N3 U B 3 -11.879 -5.243 7.134 1.00 0.00 N ATOM 1677 C4 U B 3 -11.788 -6.613 7.296 1.00 0.00 C ATOM 1678 O4 U B 3 -12.722 -7.340 6.971 1.00 0.00 O ATOM 1679 C5 U B 3 -10.536 -7.056 7.864 1.00 0.00 C ATOM 1680 C6 U B 3 -9.577 -6.171 8.223 1.00 0.00 C ATOM 0 H5' U B 3 -6.783 -6.056 9.707 1.00 0.00 H new ATOM 0 H5'' U B 3 -5.749 -5.982 8.294 1.00 0.00 H new ATOM 0 H4' U B 3 -5.616 -3.445 8.648 1.00 0.00 H new ATOM 0 H3' U B 3 -6.641 -3.757 11.170 1.00 0.00 H new ATOM 0 H2' U B 3 -8.620 -5.049 10.405 1.00 0.00 H new ATOM 0 HO2' U B 3 -9.106 -2.988 11.602 1.00 0.00 H new ATOM 0 H1' U B 3 -9.100 -2.882 8.268 1.00 0.00 H new ATOM 0 H3 U B 3 -12.735 -4.882 6.712 1.00 0.00 H new ATOM 0 H5 U B 3 -10.362 -8.113 8.005 1.00 0.00 H new ATOM 0 H6 U B 3 -8.650 -6.536 8.640 1.00 0.00 H new ATOM 1691 P U B 4 -7.119 -1.261 11.628 1.00 0.00 P ATOM 1692 OP1 U B 4 -5.820 -1.434 12.320 1.00 0.00 O ATOM 1693 OP2 U B 4 -8.364 -1.646 12.326 1.00 0.00 O ATOM 1694 O5' U B 4 -7.272 0.289 11.213 1.00 0.00 O ATOM 1695 C5' U B 4 -6.189 1.004 10.654 1.00 0.00 C ATOM 1696 C4' U B 4 -6.495 2.506 10.611 1.00 0.00 C ATOM 1697 O4' U B 4 -7.587 2.763 9.742 1.00 0.00 O ATOM 1698 C3' U B 4 -6.853 3.069 11.993 1.00 0.00 C ATOM 1699 O3' U B 4 -6.158 4.275 12.262 1.00 0.00 O ATOM 1700 C2' U B 4 -8.339 3.385 11.844 1.00 0.00 C ATOM 1701 O2' U B 4 -8.764 4.453 12.670 1.00 0.00 O ATOM 1702 C1' U B 4 -8.421 3.720 10.365 1.00 0.00 C ATOM 1703 N1 U B 4 -9.820 3.667 9.885 1.00 0.00 N ATOM 1704 C2 U B 4 -10.411 4.845 9.450 1.00 0.00 C ATOM 1705 O2 U B 4 -9.814 5.917 9.442 1.00 0.00 O ATOM 1706 N3 U B 4 -11.722 4.758 9.017 1.00 0.00 N ATOM 1707 C4 U B 4 -12.482 3.604 8.969 1.00 0.00 C ATOM 1708 O4 U B 4 -13.636 3.632 8.546 1.00 0.00 O ATOM 1709 C5 U B 4 -11.799 2.426 9.455 1.00 0.00 C ATOM 1710 C6 U B 4 -10.519 2.489 9.889 1.00 0.00 C ATOM 0 H5' U B 4 -5.988 0.640 9.646 1.00 0.00 H new ATOM 0 H5'' U B 4 -5.288 0.828 11.242 1.00 0.00 H new ATOM 0 H4' U B 4 -5.588 2.993 10.254 1.00 0.00 H new ATOM 0 H3' U B 4 -6.604 2.380 12.800 1.00 0.00 H new ATOM 0 H2' U B 4 -8.995 2.571 12.154 1.00 0.00 H new ATOM 0 HO2' U B 4 -7.983 4.959 12.978 1.00 0.00 H new ATOM 0 H1' U B 4 -8.093 4.734 10.138 1.00 0.00 H new ATOM 0 H3 U B 4 -12.167 5.621 8.706 1.00 0.00 H new ATOM 0 H5 U B 4 -12.319 1.480 9.472 1.00 0.00 H new ATOM 0 H6 U B 4 -10.038 1.591 10.246 1.00 0.00 H new ATOM 1721 P U B 5 -4.726 4.290 12.997 1.00 0.00 P ATOM 1722 OP1 U B 5 -4.335 2.897 13.313 1.00 0.00 O ATOM 1723 OP2 U B 5 -4.785 5.292 14.084 1.00 0.00 O ATOM 1724 O5' U B 5 -3.733 4.855 11.862 1.00 0.00 O ATOM 1725 C5' U B 5 -2.974 3.981 11.057 1.00 0.00 C ATOM 1726 C4' U B 5 -2.210 4.743 9.972 1.00 0.00 C ATOM 1727 O4' U B 5 -3.105 5.130 8.943 1.00 0.00 O ATOM 1728 C3' U B 5 -1.535 6.003 10.521 1.00 0.00 C ATOM 1729 O3' U B 5 -0.319 6.198 9.830 1.00 0.00 O ATOM 1730 C2' U B 5 -2.562 7.082 10.189 1.00 0.00 C ATOM 1731 O2' U B 5 -1.984 8.357 9.995 1.00 0.00 O ATOM 1732 C1' U B 5 -3.178 6.543 8.903 1.00 0.00 C ATOM 1733 N1 U B 5 -4.576 6.996 8.761 1.00 0.00 N ATOM 1734 C2 U B 5 -4.888 7.751 7.642 1.00 0.00 C ATOM 1735 O2 U B 5 -4.062 8.020 6.774 1.00 0.00 O ATOM 1736 N3 U B 5 -6.194 8.196 7.552 1.00 0.00 N ATOM 1737 C4 U B 5 -7.204 7.944 8.464 1.00 0.00 C ATOM 1738 O4 U B 5 -8.330 8.403 8.278 1.00 0.00 O ATOM 1739 C5 U B 5 -6.796 7.128 9.587 1.00 0.00 C ATOM 1740 C6 U B 5 -5.520 6.690 9.703 1.00 0.00 C ATOM 0 H5' U B 5 -3.633 3.247 10.593 1.00 0.00 H new ATOM 0 H5'' U B 5 -2.270 3.429 11.680 1.00 0.00 H new ATOM 0 H4' U B 5 -1.439 4.074 9.590 1.00 0.00 H new ATOM 0 H3' U B 5 -1.284 5.981 11.581 1.00 0.00 H new ATOM 0 H2' U B 5 -3.277 7.249 10.994 1.00 0.00 H new ATOM 0 HO2' U B 5 -1.225 8.469 10.605 1.00 0.00 H new ATOM 0 H1' U B 5 -2.631 6.919 8.039 1.00 0.00 H new ATOM 0 H3 U B 5 -6.435 8.762 6.739 1.00 0.00 H new ATOM 0 H5 U B 5 -7.520 6.864 10.344 1.00 0.00 H new ATOM 0 H6 U B 5 -5.242 6.088 10.555 1.00 0.00 H new ATOM 1751 P U B 6 0.912 6.984 10.512 1.00 0.00 P ATOM 1752 OP1 U B 6 1.515 6.105 11.539 1.00 0.00 O ATOM 1753 OP2 U B 6 0.455 8.341 10.890 1.00 0.00 O ATOM 1754 O5' U B 6 1.954 7.118 9.290 1.00 0.00 O ATOM 1755 C5' U B 6 2.562 5.960 8.756 1.00 0.00 C ATOM 1756 C4' U B 6 3.342 6.258 7.471 1.00 0.00 C ATOM 1757 O4' U B 6 2.498 6.865 6.503 1.00 0.00 O ATOM 1758 C3' U B 6 4.518 7.197 7.726 1.00 0.00 C ATOM 1759 O3' U B 6 5.583 6.872 6.850 1.00 0.00 O ATOM 1760 C2' U B 6 3.915 8.550 7.380 1.00 0.00 C ATOM 1761 O2' U B 6 4.905 9.466 6.954 1.00 0.00 O ATOM 1762 C1' U B 6 2.910 8.209 6.286 1.00 0.00 C ATOM 1763 N1 U B 6 1.785 9.166 6.350 1.00 0.00 N ATOM 1764 C2 U B 6 1.996 10.446 5.857 1.00 0.00 C ATOM 1765 O2 U B 6 3.077 10.816 5.403 1.00 0.00 O ATOM 1766 N3 U B 6 0.914 11.303 5.903 1.00 0.00 N ATOM 1767 C4 U B 6 -0.350 10.992 6.363 1.00 0.00 C ATOM 1768 O4 U B 6 -1.256 11.818 6.296 1.00 0.00 O ATOM 1769 C5 U B 6 -0.473 9.659 6.899 1.00 0.00 C ATOM 1770 C6 U B 6 0.577 8.809 6.884 1.00 0.00 C ATOM 0 H5' U B 6 1.797 5.212 8.550 1.00 0.00 H new ATOM 0 H5'' U B 6 3.236 5.530 9.497 1.00 0.00 H new ATOM 0 H4' U B 6 3.717 5.302 7.106 1.00 0.00 H new ATOM 0 H3' U B 6 4.931 7.152 8.734 1.00 0.00 H new ATOM 0 H2' U B 6 3.447 9.049 8.228 1.00 0.00 H new ATOM 0 HO2' U B 6 4.503 10.124 6.349 1.00 0.00 H new ATOM 0 H1' U B 6 3.338 8.290 5.287 1.00 0.00 H new ATOM 0 H3 U B 6 1.063 12.254 5.566 1.00 0.00 H new ATOM 0 H5 U B 6 -1.415 9.336 7.317 1.00 0.00 H new ATOM 0 H6 U B 6 0.460 7.821 7.305 1.00 0.00 H new ATOM 1781 P C B 7 6.629 5.708 7.230 1.00 0.00 P ATOM 1782 OP1 C B 7 7.365 5.332 6.001 1.00 0.00 O ATOM 1783 OP2 C B 7 5.917 4.666 8.007 1.00 0.00 O ATOM 1784 O5' C B 7 7.655 6.454 8.223 1.00 0.00 O ATOM 1785 C5' C B 7 8.590 7.387 7.721 1.00 0.00 C ATOM 1786 C4' C B 7 9.455 7.958 8.847 1.00 0.00 C ATOM 1787 O4' C B 7 8.680 8.762 9.729 1.00 0.00 O ATOM 1788 C3' C B 7 10.141 6.873 9.682 1.00 0.00 C ATOM 1789 O3' C B 7 11.488 6.657 9.305 1.00 0.00 O ATOM 1790 C2' C B 7 10.053 7.457 11.091 1.00 0.00 C ATOM 1791 O2' C B 7 11.067 8.418 11.321 1.00 0.00 O ATOM 1792 C1' C B 7 8.707 8.180 11.022 1.00 0.00 C ATOM 1793 N1 C B 7 7.520 7.297 11.200 1.00 0.00 N ATOM 1794 C2 C B 7 6.266 7.888 11.085 1.00 0.00 C ATOM 1795 O2 C B 7 6.154 9.081 10.807 1.00 0.00 O ATOM 1796 N3 C B 7 5.157 7.128 11.287 1.00 0.00 N ATOM 1797 C4 C B 7 5.269 5.834 11.585 1.00 0.00 C ATOM 1798 N4 C B 7 4.157 5.131 11.785 1.00 0.00 N ATOM 1799 C5 C B 7 6.539 5.195 11.692 1.00 0.00 C ATOM 1800 C6 C B 7 7.632 5.963 11.492 1.00 0.00 C ATOM 0 H5' C B 7 8.065 8.197 7.215 1.00 0.00 H new ATOM 0 H5'' C B 7 9.226 6.906 6.978 1.00 0.00 H new ATOM 0 H4' C B 7 10.220 8.555 8.351 1.00 0.00 H new ATOM 0 H3' C B 7 9.676 5.894 9.567 1.00 0.00 H new ATOM 0 H2' C B 7 10.157 6.707 11.875 1.00 0.00 H new ATOM 0 HO2' C B 7 11.855 8.197 10.782 1.00 0.00 H new ATOM 0 HO3' C B 7 11.878 5.957 9.870 1.00 0.00 H new ATOM 0 H1' C B 7 8.636 8.897 11.840 1.00 0.00 H new ATOM 0 H41 C B 7 4.215 4.139 12.014 1.00 0.00 H new ATOM 0 H42 C B 7 3.246 5.584 11.709 1.00 0.00 H new ATOM 0 H5 C B 7 6.623 4.143 11.923 1.00 0.00 H new ATOM 0 H6 C B 7 8.613 5.517 11.564 1.00 0.00 H new TER 1812 C B 7