USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 72 MET CE :methyl 143:sc= -1.52 (180deg=-2.96!) USER MOD Set 1.2: A 89 MET CE :methyl 173:sc= -2.84! (180deg=-1.37) USER MOD Set 2.1: A 44 TYR OH : rot -108:sc= 1.34 USER MOD Set 2.2: B 104 G O2' : rot -177:sc= 0.353 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= -0.0849 USER MOD Set 3.2: A 75 MET CE :methyl 173:sc= -1.93 (180deg=-1.62) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.385 USER MOD Set 4.2: A 29 THR OG1 : rot 83:sc= 0.415 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0127 (180deg=-0.231) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 153:sc= -0.491 (180deg=-1.15) USER MOD Single : A 14 THR OG1 : rot 110:sc= -0.0882 USER MOD Single : A 15 SER OG : rot -150:sc= 0.686 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 3.09 (180deg=2.68) USER MOD Single : A 20 ASN : amide:sc= -1.75 K(o=-1.7,f=-1.2) USER MOD Single : A 22 THR OG1 : rot -168:sc= 0.132 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.448 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc=-0.00103 (180deg=-0.223) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 0.223 (180deg=-1.59!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -71:sc= 1.18 USER MOD Single : A 99 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.0029) USER MOD Single : A 100 HIS : no HD1:sc= 0.0943 K(o=0.094,f=-1.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 16:sc= 0.238 USER MOD Single : B 102 U O5' : rot 55:sc= 0.4 USER MOD Single : B 103 G O2' : rot -67:sc= 1.98 USER MOD Single : B 105 A O2' : rot 78:sc= 1.19 USER MOD Single : B 106 G O2' : rot 156:sc= 1.01 USER MOD Single : B 107 U O2' : rot 180:sc= -0.106 USER MOD Single : B 107 U O3' : rot -160:sc= -0.946 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.993 13.765 9.662 1.00 0.00 N ATOM 2 CA MET A 1 -15.625 14.166 9.283 1.00 0.00 C ATOM 3 C MET A 1 -15.087 13.239 8.202 1.00 0.00 C ATOM 4 O MET A 1 -15.123 12.018 8.359 1.00 0.00 O ATOM 5 CB MET A 1 -14.689 14.166 10.494 1.00 0.00 C ATOM 6 CG MET A 1 -15.144 15.182 11.543 1.00 0.00 C ATOM 7 SD MET A 1 -15.235 16.887 10.935 1.00 0.00 S ATOM 8 CE MET A 1 -15.804 17.708 12.443 1.00 0.00 C ATOM 0 H1 MET A 1 -17.431 14.519 10.228 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.558 13.604 8.804 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.956 12.889 10.221 1.00 0.00 H new ATOM 0 HA MET A 1 -15.668 15.183 8.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.662 13.170 10.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.674 14.400 10.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.125 14.888 11.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.458 15.146 12.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.917 18.776 12.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.764 17.289 12.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.074 17.555 13.238 1.00 0.00 H new ATOM 18 N SER A 2 -14.587 13.818 7.107 1.00 0.00 N ATOM 19 CA SER A 2 -14.068 13.066 5.970 1.00 0.00 C ATOM 20 C SER A 2 -12.912 13.820 5.315 1.00 0.00 C ATOM 21 O SER A 2 -12.651 14.976 5.635 1.00 0.00 O ATOM 22 CB SER A 2 -15.182 12.841 4.949 1.00 0.00 C ATOM 23 OG SER A 2 -16.244 12.121 5.536 1.00 0.00 O ATOM 0 H SER A 2 -14.532 14.829 6.987 1.00 0.00 H new ATOM 0 HA SER A 2 -13.701 12.103 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.544 13.800 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.793 12.294 4.090 1.00 0.00 H new ATOM 0 HG SER A 2 -16.952 11.984 4.873 1.00 0.00 H new ATOM 29 N TYR A 3 -12.217 13.151 4.389 1.00 0.00 N ATOM 30 CA TYR A 3 -11.065 13.714 3.704 1.00 0.00 C ATOM 31 C TYR A 3 -11.450 14.952 2.895 1.00 0.00 C ATOM 32 O TYR A 3 -10.888 16.026 3.102 1.00 0.00 O ATOM 33 CB TYR A 3 -10.485 12.647 2.773 1.00 0.00 C ATOM 34 CG TYR A 3 -9.918 11.443 3.502 1.00 0.00 C ATOM 35 CD1 TYR A 3 -10.754 10.359 3.809 1.00 0.00 C ATOM 36 CD2 TYR A 3 -8.565 11.421 3.873 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.240 9.252 4.505 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.047 10.314 4.562 1.00 0.00 C ATOM 39 CZ TYR A 3 -8.884 9.227 4.884 1.00 0.00 C ATOM 40 OH TYR A 3 -8.389 8.157 5.565 1.00 0.00 O ATOM 0 H TYR A 3 -12.444 12.200 4.098 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.326 14.019 4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.265 12.312 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.699 13.096 2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.792 10.375 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.923 12.255 3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.885 8.421 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.005 10.295 4.846 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.437 8.298 5.749 1.00 0.00 H new ATOM 50 N GLY A 4 -12.410 14.789 1.980 1.00 0.00 N ATOM 51 CA GLY A 4 -12.895 15.826 1.089 1.00 0.00 C ATOM 52 C GLY A 4 -11.851 16.208 0.049 1.00 0.00 C ATOM 53 O GLY A 4 -12.011 15.934 -1.141 1.00 0.00 O ATOM 0 H GLY A 4 -12.882 13.896 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.799 15.481 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.169 16.706 1.670 1.00 0.00 H new ATOM 57 N ARG A 5 -10.772 16.849 0.491 1.00 0.00 N ATOM 58 CA ARG A 5 -9.800 17.424 -0.428 1.00 0.00 C ATOM 59 C ARG A 5 -8.478 17.796 0.255 1.00 0.00 C ATOM 60 O ARG A 5 -8.081 18.962 0.241 1.00 0.00 O ATOM 61 CB ARG A 5 -10.418 18.605 -1.195 1.00 0.00 C ATOM 62 CG ARG A 5 -11.510 19.359 -0.426 1.00 0.00 C ATOM 63 CD ARG A 5 -11.032 20.000 0.875 1.00 0.00 C ATOM 64 NE ARG A 5 -10.060 21.069 0.616 1.00 0.00 N ATOM 65 CZ ARG A 5 -10.398 22.336 0.362 1.00 0.00 C ATOM 66 NH1 ARG A 5 -11.676 22.702 0.314 1.00 0.00 N ATOM 67 NH2 ARG A 5 -9.447 23.244 0.154 1.00 0.00 N ATOM 0 H ARG A 5 -10.551 16.982 1.478 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.540 16.652 -1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.626 19.306 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.839 18.235 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.922 20.136 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.322 18.668 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.886 20.405 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.580 19.240 1.513 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.068 20.830 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.410 22.012 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.922 23.673 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.465 22.971 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.701 24.213 -0.040 1.00 0.00 H new ATOM 81 N PRO A 6 -7.776 16.829 0.864 1.00 0.00 N ATOM 82 CA PRO A 6 -6.484 17.061 1.481 1.00 0.00 C ATOM 83 C PRO A 6 -5.437 17.305 0.389 1.00 0.00 C ATOM 84 O PRO A 6 -5.607 16.831 -0.732 1.00 0.00 O ATOM 85 CB PRO A 6 -6.179 15.782 2.259 1.00 0.00 C ATOM 86 CG PRO A 6 -6.917 14.706 1.460 1.00 0.00 C ATOM 87 CD PRO A 6 -8.166 15.438 0.974 1.00 0.00 C ATOM 0 HA PRO A 6 -6.476 17.933 2.135 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.108 15.585 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.539 15.839 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.316 14.337 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.169 13.845 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.502 15.047 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.992 15.315 1.675 1.00 0.00 H new ATOM 95 N PRO A 7 -4.360 18.038 0.699 1.00 0.00 N ATOM 96 CA PRO A 7 -3.303 18.352 -0.252 1.00 0.00 C ATOM 97 C PRO A 7 -2.432 17.117 -0.516 1.00 0.00 C ATOM 98 O PRO A 7 -1.764 16.627 0.393 1.00 0.00 O ATOM 99 CB PRO A 7 -2.501 19.465 0.421 1.00 0.00 C ATOM 100 CG PRO A 7 -2.676 19.181 1.910 1.00 0.00 C ATOM 101 CD PRO A 7 -4.092 18.626 1.998 1.00 0.00 C ATOM 0 HA PRO A 7 -3.690 18.660 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.452 19.437 0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.880 20.451 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.940 18.463 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.561 20.085 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.173 17.881 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.809 19.414 2.227 1.00 0.00 H new ATOM 109 N PRO A 8 -2.426 16.612 -1.759 1.00 0.00 N ATOM 110 CA PRO A 8 -1.622 15.477 -2.171 1.00 0.00 C ATOM 111 C PRO A 8 -0.232 15.945 -2.622 1.00 0.00 C ATOM 112 O PRO A 8 0.185 17.058 -2.314 1.00 0.00 O ATOM 113 CB PRO A 8 -2.408 14.890 -3.339 1.00 0.00 C ATOM 114 CG PRO A 8 -2.900 16.157 -4.044 1.00 0.00 C ATOM 115 CD PRO A 8 -3.230 17.084 -2.874 1.00 0.00 C ATOM 0 HA PRO A 8 -1.454 14.754 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.782 14.277 -3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.232 14.261 -3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.135 16.582 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.774 15.962 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.993 18.120 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.293 17.048 -2.633 1.00 0.00 H new ATOM 123 N ASP A 9 0.481 15.085 -3.355 1.00 0.00 N ATOM 124 CA ASP A 9 1.808 15.372 -3.886 1.00 0.00 C ATOM 125 C ASP A 9 1.899 14.894 -5.339 1.00 0.00 C ATOM 126 O ASP A 9 2.953 14.459 -5.800 1.00 0.00 O ATOM 127 CB ASP A 9 2.856 14.710 -2.986 1.00 0.00 C ATOM 128 CG ASP A 9 4.277 15.139 -3.347 1.00 0.00 C ATOM 129 OD1 ASP A 9 4.485 16.355 -3.554 1.00 0.00 O ATOM 130 OD2 ASP A 9 5.152 14.245 -3.411 1.00 0.00 O ATOM 0 H ASP A 9 0.142 14.154 -3.598 1.00 0.00 H new ATOM 0 HA ASP A 9 1.998 16.445 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.654 14.966 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.773 13.626 -3.070 1.00 0.00 H new ATOM 135 N VAL A 10 0.774 14.977 -6.067 1.00 0.00 N ATOM 136 CA VAL A 10 0.637 14.481 -7.435 1.00 0.00 C ATOM 137 C VAL A 10 1.577 15.159 -8.435 1.00 0.00 C ATOM 138 O VAL A 10 1.569 14.798 -9.612 1.00 0.00 O ATOM 139 CB VAL A 10 -0.814 14.619 -7.910 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.760 13.809 -7.022 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.260 16.083 -7.907 1.00 0.00 C ATOM 0 H VAL A 10 -0.081 15.401 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 10 0.925 13.430 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.856 14.234 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.783 13.924 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.479 12.756 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.693 14.169 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.293 16.149 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.186 16.484 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.620 16.660 -8.574 1.00 0.00 H new ATOM 151 N GLU A 11 2.381 16.130 -7.997 1.00 0.00 N ATOM 152 CA GLU A 11 3.282 16.871 -8.875 1.00 0.00 C ATOM 153 C GLU A 11 4.397 15.986 -9.443 1.00 0.00 C ATOM 154 O GLU A 11 5.085 16.398 -10.379 1.00 0.00 O ATOM 155 CB GLU A 11 3.890 18.043 -8.101 1.00 0.00 C ATOM 156 CG GLU A 11 2.788 18.957 -7.559 1.00 0.00 C ATOM 157 CD GLU A 11 3.382 20.178 -6.861 1.00 0.00 C ATOM 158 OE1 GLU A 11 3.696 21.160 -7.572 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.523 20.121 -5.620 1.00 0.00 O ATOM 0 H GLU A 11 2.424 16.423 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 11 2.699 17.237 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.496 17.667 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.554 18.611 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.143 19.279 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.162 18.403 -6.859 1.00 0.00 H new ATOM 166 N GLY A 12 4.583 14.782 -8.894 1.00 0.00 N ATOM 167 CA GLY A 12 5.607 13.855 -9.365 1.00 0.00 C ATOM 168 C GLY A 12 5.619 12.536 -8.590 1.00 0.00 C ATOM 169 O GLY A 12 6.628 11.830 -8.595 1.00 0.00 O ATOM 0 H GLY A 12 4.029 14.427 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.443 13.648 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.585 14.329 -9.281 1.00 0.00 H new ATOM 173 N MET A 13 4.512 12.194 -7.922 1.00 0.00 N ATOM 174 CA MET A 13 4.428 10.997 -7.095 1.00 0.00 C ATOM 175 C MET A 13 4.664 9.705 -7.879 1.00 0.00 C ATOM 176 O MET A 13 4.479 9.654 -9.093 1.00 0.00 O ATOM 177 CB MET A 13 3.050 10.935 -6.432 1.00 0.00 C ATOM 178 CG MET A 13 1.917 10.862 -7.454 1.00 0.00 C ATOM 179 SD MET A 13 0.323 10.382 -6.737 1.00 0.00 S ATOM 180 CE MET A 13 0.300 11.436 -5.264 1.00 0.00 C ATOM 0 H MET A 13 3.652 12.742 -7.943 1.00 0.00 H new ATOM 0 HA MET A 13 5.221 11.070 -6.350 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.003 10.064 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.912 11.814 -5.803 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.811 11.834 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.186 10.147 -8.232 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.732 11.641 -4.979 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.808 10.927 -4.445 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.810 12.375 -5.480 1.00 0.00 H new ATOM 190 N THR A 14 5.074 8.657 -7.155 1.00 0.00 N ATOM 191 CA THR A 14 5.177 7.297 -7.677 1.00 0.00 C ATOM 192 C THR A 14 3.785 6.695 -7.880 1.00 0.00 C ATOM 193 O THR A 14 3.629 5.723 -8.621 1.00 0.00 O ATOM 194 CB THR A 14 6.013 6.466 -6.696 1.00 0.00 C ATOM 195 OG1 THR A 14 7.373 6.753 -6.927 1.00 0.00 O ATOM 196 CG2 THR A 14 5.792 4.962 -6.855 1.00 0.00 C ATOM 0 H THR A 14 5.347 8.735 -6.175 1.00 0.00 H new ATOM 0 HA THR A 14 5.667 7.302 -8.651 1.00 0.00 H new ATOM 0 HB THR A 14 5.706 6.732 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.732 7.265 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.410 4.425 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.742 4.728 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.066 4.659 -7.865 1.00 0.00 H new ATOM 203 N SER A 15 2.773 7.274 -7.227 1.00 0.00 N ATOM 204 CA SER A 15 1.382 6.856 -7.303 1.00 0.00 C ATOM 205 C SER A 15 1.206 5.349 -7.186 1.00 0.00 C ATOM 206 O SER A 15 0.676 4.705 -8.089 1.00 0.00 O ATOM 207 CB SER A 15 0.724 7.414 -8.566 1.00 0.00 C ATOM 208 OG SER A 15 -0.671 7.227 -8.496 1.00 0.00 O ATOM 0 H SER A 15 2.912 8.075 -6.611 1.00 0.00 H new ATOM 0 HA SER A 15 0.871 7.276 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.954 8.474 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.124 6.914 -9.448 1.00 0.00 H new ATOM 0 HG SER A 15 -1.033 7.122 -9.401 1.00 0.00 H new ATOM 214 N LEU A 16 1.652 4.773 -6.065 1.00 0.00 N ATOM 215 CA LEU A 16 1.334 3.376 -5.785 1.00 0.00 C ATOM 216 C LEU A 16 -0.177 3.279 -5.577 1.00 0.00 C ATOM 217 O LEU A 16 -0.821 4.308 -5.384 1.00 0.00 O ATOM 218 CB LEU A 16 2.035 2.926 -4.503 1.00 0.00 C ATOM 219 CG LEU A 16 1.982 1.415 -4.253 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.879 0.651 -5.224 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.451 1.137 -2.834 1.00 0.00 C ATOM 0 H LEU A 16 2.218 5.240 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 16 1.663 2.744 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.078 3.239 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.581 3.439 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 16 0.955 1.081 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.815 -0.417 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.553 0.841 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.910 0.983 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.418 0.064 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.473 1.496 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.799 1.651 -2.128 1.00 0.00 H new ATOM 233 N LYS A 17 -0.732 2.066 -5.603 1.00 0.00 N ATOM 234 CA LYS A 17 -2.115 1.830 -5.218 1.00 0.00 C ATOM 235 C LYS A 17 -2.224 0.611 -4.305 1.00 0.00 C ATOM 236 O LYS A 17 -1.373 -0.274 -4.347 1.00 0.00 O ATOM 237 CB LYS A 17 -3.022 1.670 -6.440 1.00 0.00 C ATOM 238 CG LYS A 17 -2.730 0.388 -7.219 1.00 0.00 C ATOM 239 CD LYS A 17 -4.017 -0.128 -7.852 1.00 0.00 C ATOM 240 CE LYS A 17 -3.781 -1.545 -8.381 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.046 -2.294 -8.485 1.00 0.00 N ATOM 0 H LYS A 17 -0.233 1.225 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.454 2.707 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.063 1.667 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.894 2.529 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.985 0.581 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.312 -0.367 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.823 -0.130 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.327 0.530 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.303 -1.496 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.096 -2.074 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.844 -3.314 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.644 -2.081 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.543 -2.017 -9.355 1.00 0.00 H new ATOM 255 N VAL A 18 -3.271 0.566 -3.481 1.00 0.00 N ATOM 256 CA VAL A 18 -3.540 -0.596 -2.637 1.00 0.00 C ATOM 257 C VAL A 18 -5.014 -0.955 -2.721 1.00 0.00 C ATOM 258 O VAL A 18 -5.853 -0.075 -2.897 1.00 0.00 O ATOM 259 CB VAL A 18 -3.171 -0.327 -1.177 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.423 -1.567 -0.317 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.697 0.056 -1.029 1.00 0.00 C ATOM 0 H VAL A 18 -3.947 1.323 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.928 -1.422 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.798 0.501 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.154 -1.353 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.478 -1.838 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.817 -2.395 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.472 0.239 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.071 -0.757 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.496 0.959 -1.606 1.00 0.00 H new ATOM 271 N ASP A 19 -5.290 -2.253 -2.590 1.00 0.00 N ATOM 272 CA ASP A 19 -6.613 -2.857 -2.653 1.00 0.00 C ATOM 273 C ASP A 19 -6.649 -4.092 -1.746 1.00 0.00 C ATOM 274 O ASP A 19 -5.706 -4.331 -0.986 1.00 0.00 O ATOM 275 CB ASP A 19 -6.919 -3.279 -4.091 1.00 0.00 C ATOM 276 CG ASP A 19 -6.884 -2.100 -5.055 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.782 -1.238 -4.940 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.957 -2.079 -5.899 1.00 0.00 O ATOM 0 H ASP A 19 -4.556 -2.943 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.357 -2.133 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.195 -4.029 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.902 -3.749 -4.129 1.00 0.00 H new ATOM 283 N ASN A 20 -7.736 -4.866 -1.833 1.00 0.00 N ATOM 284 CA ASN A 20 -7.975 -6.052 -1.014 1.00 0.00 C ATOM 285 C ASN A 20 -8.130 -5.702 0.466 1.00 0.00 C ATOM 286 O ASN A 20 -7.161 -5.667 1.222 1.00 0.00 O ATOM 287 CB ASN A 20 -6.880 -7.096 -1.247 1.00 0.00 C ATOM 288 CG ASN A 20 -7.264 -8.127 -2.290 1.00 0.00 C ATOM 289 OD1 ASN A 20 -7.934 -7.829 -3.273 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.824 -9.359 -2.059 1.00 0.00 N ATOM 0 H ASN A 20 -8.491 -4.678 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.923 -6.490 -1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.965 -6.593 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.660 -7.602 -0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.040 -10.109 -2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.270 -9.555 -1.225 1.00 0.00 H new ATOM 297 N LEU A 21 -9.378 -5.443 0.868 1.00 0.00 N ATOM 298 CA LEU A 21 -9.753 -5.182 2.251 1.00 0.00 C ATOM 299 C LEU A 21 -10.592 -6.360 2.733 1.00 0.00 C ATOM 300 O LEU A 21 -11.619 -6.680 2.139 1.00 0.00 O ATOM 301 CB LEU A 21 -10.593 -3.902 2.319 1.00 0.00 C ATOM 302 CG LEU A 21 -9.808 -2.583 2.263 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.450 -2.152 3.679 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.517 -2.662 1.451 1.00 0.00 C ATOM 0 H LEU A 21 -10.168 -5.409 0.224 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.866 -5.059 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.306 -3.914 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.173 -3.919 3.242 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.460 -1.865 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.893 -1.216 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.363 -2.010 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.838 -2.921 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.022 -1.691 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.857 -3.410 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.750 -2.941 0.423 1.00 0.00 H new ATOM 316 N THR A 22 -10.157 -7.008 3.814 1.00 0.00 N ATOM 317 CA THR A 22 -10.882 -8.127 4.398 1.00 0.00 C ATOM 318 C THR A 22 -12.187 -7.631 5.029 1.00 0.00 C ATOM 319 O THR A 22 -12.369 -6.432 5.228 1.00 0.00 O ATOM 320 CB THR A 22 -9.980 -8.816 5.427 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.668 -8.902 4.915 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.454 -10.231 5.740 1.00 0.00 C ATOM 0 H THR A 22 -9.295 -6.770 4.305 1.00 0.00 H new ATOM 0 HA THR A 22 -11.147 -8.852 3.628 1.00 0.00 H new ATOM 0 HB THR A 22 -10.013 -8.222 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.137 -9.505 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.787 -10.684 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.466 -10.195 6.143 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.448 -10.827 4.827 1.00 0.00 H new ATOM 329 N TYR A 23 -13.097 -8.557 5.348 1.00 0.00 N ATOM 330 CA TYR A 23 -14.412 -8.259 5.918 1.00 0.00 C ATOM 331 C TYR A 23 -14.345 -7.547 7.276 1.00 0.00 C ATOM 332 O TYR A 23 -15.381 -7.236 7.861 1.00 0.00 O ATOM 333 CB TYR A 23 -15.184 -9.570 6.059 1.00 0.00 C ATOM 334 CG TYR A 23 -14.560 -10.533 7.044 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.911 -10.465 8.400 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.626 -11.481 6.604 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.316 -11.342 9.324 1.00 0.00 C ATOM 338 CE2 TYR A 23 -13.030 -12.360 7.519 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.368 -12.290 8.885 1.00 0.00 C ATOM 340 OH TYR A 23 -12.787 -13.135 9.782 1.00 0.00 O ATOM 0 H TYR A 23 -12.935 -9.555 5.214 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.916 -7.570 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.204 -9.350 6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.249 -10.051 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.638 -9.740 8.734 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.365 -11.534 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.584 -11.290 10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.312 -13.091 7.177 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.159 -13.725 9.316 1.00 0.00 H new ATOM 350 N ARG A 24 -13.133 -7.289 7.782 1.00 0.00 N ATOM 351 CA ARG A 24 -12.903 -6.697 9.092 1.00 0.00 C ATOM 352 C ARG A 24 -11.946 -5.504 8.993 1.00 0.00 C ATOM 353 O ARG A 24 -11.301 -5.149 9.978 1.00 0.00 O ATOM 354 CB ARG A 24 -12.348 -7.786 10.009 1.00 0.00 C ATOM 355 CG ARG A 24 -11.174 -8.468 9.300 1.00 0.00 C ATOM 356 CD ARG A 24 -10.421 -9.390 10.247 1.00 0.00 C ATOM 357 NE ARG A 24 -11.271 -10.480 10.743 1.00 0.00 N ATOM 358 CZ ARG A 24 -11.719 -10.595 11.996 1.00 0.00 C ATOM 359 NH1 ARG A 24 -11.421 -9.686 12.924 1.00 0.00 N ATOM 360 NH2 ARG A 24 -12.477 -11.634 12.332 1.00 0.00 N ATOM 0 H ARG A 24 -12.271 -7.493 7.276 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.837 -6.313 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.020 -7.354 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.124 -8.515 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.542 -9.039 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.494 -7.712 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.556 -9.809 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.042 -8.813 11.090 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.540 -11.206 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.840 -8.883 12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.774 -9.793 13.875 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.714 -12.339 11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.821 -11.726 13.288 1.00 0.00 H new ATOM 374 N THR A 25 -11.852 -4.893 7.812 1.00 0.00 N ATOM 375 CA THR A 25 -10.917 -3.797 7.569 1.00 0.00 C ATOM 376 C THR A 25 -11.656 -2.557 7.063 1.00 0.00 C ATOM 377 O THR A 25 -12.815 -2.636 6.658 1.00 0.00 O ATOM 378 CB THR A 25 -9.845 -4.247 6.570 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.500 -5.594 6.809 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.570 -3.412 6.715 1.00 0.00 C ATOM 0 H THR A 25 -12.419 -5.143 7.002 1.00 0.00 H new ATOM 0 HA THR A 25 -10.430 -3.529 8.507 1.00 0.00 H new ATOM 0 HB THR A 25 -10.258 -4.121 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.816 -5.875 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.827 -3.754 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.799 -2.363 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.174 -3.525 7.724 1.00 0.00 H new ATOM 387 N SER A 26 -10.976 -1.409 7.091 1.00 0.00 N ATOM 388 CA SER A 26 -11.541 -0.113 6.734 1.00 0.00 C ATOM 389 C SER A 26 -10.441 0.785 6.164 1.00 0.00 C ATOM 390 O SER A 26 -9.261 0.462 6.313 1.00 0.00 O ATOM 391 CB SER A 26 -12.124 0.506 8.007 1.00 0.00 C ATOM 392 OG SER A 26 -11.089 0.764 8.933 1.00 0.00 O ATOM 0 H SER A 26 -9.996 -1.357 7.369 1.00 0.00 H new ATOM 0 HA SER A 26 -12.319 -0.223 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.647 1.431 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.858 -0.169 8.447 1.00 0.00 H new ATOM 0 HG SER A 26 -11.468 1.161 9.745 1.00 0.00 H new ATOM 398 N PRO A 27 -10.781 1.902 5.513 1.00 0.00 N ATOM 399 CA PRO A 27 -9.787 2.807 4.955 1.00 0.00 C ATOM 400 C PRO A 27 -8.968 3.465 6.061 1.00 0.00 C ATOM 401 O PRO A 27 -7.806 3.800 5.849 1.00 0.00 O ATOM 402 CB PRO A 27 -10.575 3.829 4.136 1.00 0.00 C ATOM 403 CG PRO A 27 -11.976 3.808 4.748 1.00 0.00 C ATOM 404 CD PRO A 27 -12.127 2.379 5.256 1.00 0.00 C ATOM 0 HA PRO A 27 -9.064 2.284 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.128 4.821 4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.598 3.559 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.071 4.533 5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.739 4.053 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.731 2.349 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.628 1.753 4.518 1.00 0.00 H new ATOM 412 N ASP A 28 -9.553 3.656 7.249 1.00 0.00 N ATOM 413 CA ASP A 28 -8.806 4.218 8.369 1.00 0.00 C ATOM 414 C ASP A 28 -7.741 3.234 8.841 1.00 0.00 C ATOM 415 O ASP A 28 -6.682 3.643 9.310 1.00 0.00 O ATOM 416 CB ASP A 28 -9.754 4.532 9.524 1.00 0.00 C ATOM 417 CG ASP A 28 -9.042 5.314 10.626 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.694 6.489 10.371 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.853 4.732 11.716 1.00 0.00 O ATOM 0 H ASP A 28 -10.527 3.432 7.454 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.322 5.137 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.602 5.109 9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.153 3.604 9.933 1.00 0.00 H new ATOM 424 N THR A 29 -8.014 1.931 8.722 1.00 0.00 N ATOM 425 CA THR A 29 -7.030 0.924 9.073 1.00 0.00 C ATOM 426 C THR A 29 -5.968 0.878 7.983 1.00 0.00 C ATOM 427 O THR A 29 -4.779 0.838 8.275 1.00 0.00 O ATOM 428 CB THR A 29 -7.687 -0.447 9.220 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.644 -0.418 10.255 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.611 -1.472 9.574 1.00 0.00 C ATOM 0 H THR A 29 -8.903 1.559 8.387 1.00 0.00 H new ATOM 0 HA THR A 29 -6.574 1.183 10.029 1.00 0.00 H new ATOM 0 HB THR A 29 -8.178 -0.713 8.284 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.488 -0.057 9.911 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.067 -2.456 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.864 -1.504 8.781 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.133 -1.189 10.512 1.00 0.00 H new ATOM 437 N LEU A 30 -6.385 0.892 6.718 1.00 0.00 N ATOM 438 CA LEU A 30 -5.449 0.856 5.608 1.00 0.00 C ATOM 439 C LEU A 30 -4.488 2.042 5.665 1.00 0.00 C ATOM 440 O LEU A 30 -3.419 1.994 5.064 1.00 0.00 O ATOM 441 CB LEU A 30 -6.247 0.843 4.301 1.00 0.00 C ATOM 442 CG LEU A 30 -6.032 -0.413 3.456 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.643 -0.410 2.831 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.193 -1.693 4.277 1.00 0.00 C ATOM 0 H LEU A 30 -7.366 0.928 6.442 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.839 -0.045 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.308 0.935 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.973 1.717 3.711 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.795 -0.397 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.511 -1.312 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.533 0.467 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.890 -0.382 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.031 -2.559 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.463 -1.700 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.199 -1.733 4.695 1.00 0.00 H new ATOM 456 N ARG A 31 -4.853 3.101 6.389 1.00 0.00 N ATOM 457 CA ARG A 31 -3.994 4.262 6.547 1.00 0.00 C ATOM 458 C ARG A 31 -2.960 3.986 7.624 1.00 0.00 C ATOM 459 O ARG A 31 -1.766 4.074 7.359 1.00 0.00 O ATOM 460 CB ARG A 31 -4.849 5.470 6.935 1.00 0.00 C ATOM 461 CG ARG A 31 -4.006 6.707 7.272 1.00 0.00 C ATOM 462 CD ARG A 31 -3.029 7.082 6.154 1.00 0.00 C ATOM 463 NE ARG A 31 -2.213 8.238 6.544 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.238 9.441 5.964 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.040 9.701 4.932 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.443 10.395 6.428 1.00 0.00 N ATOM 0 H ARG A 31 -5.746 3.173 6.876 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.479 4.472 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.526 5.709 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.468 5.211 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.668 7.550 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.447 6.521 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.383 6.234 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.582 7.312 5.243 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.571 8.112 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.654 8.973 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.040 10.628 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.825 10.205 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.450 11.319 5.996 1.00 0.00 H new ATOM 480 N ARG A 32 -3.406 3.651 8.834 1.00 0.00 N ATOM 481 CA ARG A 32 -2.519 3.424 9.970 1.00 0.00 C ATOM 482 C ARG A 32 -1.663 2.173 9.782 1.00 0.00 C ATOM 483 O ARG A 32 -0.753 1.927 10.574 1.00 0.00 O ATOM 484 CB ARG A 32 -3.364 3.381 11.254 1.00 0.00 C ATOM 485 CG ARG A 32 -4.242 2.134 11.386 1.00 0.00 C ATOM 486 CD ARG A 32 -3.536 0.948 12.047 1.00 0.00 C ATOM 487 NE ARG A 32 -3.315 1.182 13.481 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.132 1.427 14.055 1.00 0.00 C ATOM 489 NH1 ARG A 32 -1.014 1.517 13.337 1.00 0.00 N ATOM 490 NH2 ARG A 32 -2.063 1.591 15.373 1.00 0.00 N ATOM 0 H ARG A 32 -4.395 3.530 9.053 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.808 4.247 10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.698 3.436 12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.001 4.265 11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.130 2.386 11.966 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.584 1.835 10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.134 0.047 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.580 0.772 11.555 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.133 1.155 14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.047 1.398 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.125 1.705 13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.909 1.530 15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.164 1.778 15.817 1.00 0.00 H new ATOM 504 N VAL A 33 -1.952 1.379 8.746 1.00 0.00 N ATOM 505 CA VAL A 33 -1.217 0.154 8.445 1.00 0.00 C ATOM 506 C VAL A 33 -0.205 0.364 7.321 1.00 0.00 C ATOM 507 O VAL A 33 0.834 -0.291 7.317 1.00 0.00 O ATOM 508 CB VAL A 33 -2.222 -0.931 8.047 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.525 -2.181 7.522 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.062 -1.319 9.258 1.00 0.00 C ATOM 0 H VAL A 33 -2.709 1.573 8.090 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.659 -0.147 9.332 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.849 -0.522 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.272 -2.927 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.932 -1.925 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.872 -2.586 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.777 -2.091 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.411 -1.700 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.600 -0.444 9.623 1.00 0.00 H new ATOM 520 N PHE A 34 -0.487 1.265 6.377 1.00 0.00 N ATOM 521 CA PHE A 34 0.436 1.557 5.289 1.00 0.00 C ATOM 522 C PHE A 34 1.210 2.856 5.518 1.00 0.00 C ATOM 523 O PHE A 34 2.181 3.128 4.816 1.00 0.00 O ATOM 524 CB PHE A 34 -0.345 1.576 3.977 1.00 0.00 C ATOM 525 CG PHE A 34 -0.525 0.201 3.366 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.474 -0.679 3.900 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.256 -0.197 2.270 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.643 -1.954 3.338 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.088 -1.476 1.712 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.865 -2.351 2.245 1.00 0.00 C ATOM 0 H PHE A 34 -1.352 1.805 6.349 1.00 0.00 H new ATOM 0 HA PHE A 34 1.193 0.774 5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.325 2.019 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.172 2.218 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.076 -0.377 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.987 0.481 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.376 -2.631 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.694 -1.783 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.000 -3.332 1.813 1.00 0.00 H new ATOM 540 N GLU A 35 0.797 3.663 6.498 1.00 0.00 N ATOM 541 CA GLU A 35 1.491 4.898 6.850 1.00 0.00 C ATOM 542 C GLU A 35 2.837 4.610 7.520 1.00 0.00 C ATOM 543 O GLU A 35 3.753 5.428 7.436 1.00 0.00 O ATOM 544 CB GLU A 35 0.590 5.708 7.782 1.00 0.00 C ATOM 545 CG GLU A 35 1.278 6.952 8.328 1.00 0.00 C ATOM 546 CD GLU A 35 0.284 7.846 9.065 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.031 7.569 10.258 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.220 8.796 8.426 1.00 0.00 O ATOM 0 H GLU A 35 -0.028 3.476 7.068 1.00 0.00 H new ATOM 0 HA GLU A 35 1.700 5.465 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.311 6.002 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.274 5.078 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.082 6.661 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.736 7.508 7.510 1.00 0.00 H new ATOM 555 N LYS A 36 2.969 3.456 8.187 1.00 0.00 N ATOM 556 CA LYS A 36 4.192 3.111 8.904 1.00 0.00 C ATOM 557 C LYS A 36 5.366 2.876 7.959 1.00 0.00 C ATOM 558 O LYS A 36 6.518 3.021 8.361 1.00 0.00 O ATOM 559 CB LYS A 36 3.952 1.881 9.781 1.00 0.00 C ATOM 560 CG LYS A 36 3.645 0.625 8.963 1.00 0.00 C ATOM 561 CD LYS A 36 3.406 -0.553 9.908 1.00 0.00 C ATOM 562 CE LYS A 36 3.115 -1.812 9.093 1.00 0.00 C ATOM 563 NZ LYS A 36 2.909 -2.980 9.969 1.00 0.00 N ATOM 0 H LYS A 36 2.238 2.747 8.242 1.00 0.00 H new ATOM 0 HA LYS A 36 4.457 3.959 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.833 1.702 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.123 2.080 10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.766 0.790 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.474 0.404 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.281 -0.710 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.569 -0.336 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.228 -1.654 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.943 -2.007 8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.713 -3.820 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.765 -3.144 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.103 -2.802 10.602 1.00 0.00 H new ATOM 577 N TYR A 37 5.077 2.521 6.704 1.00 0.00 N ATOM 578 CA TYR A 37 6.108 2.315 5.699 1.00 0.00 C ATOM 579 C TYR A 37 6.727 3.642 5.263 1.00 0.00 C ATOM 580 O TYR A 37 7.847 3.654 4.757 1.00 0.00 O ATOM 581 CB TYR A 37 5.511 1.574 4.503 1.00 0.00 C ATOM 582 CG TYR A 37 5.108 0.156 4.833 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.881 -0.098 5.466 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.967 -0.904 4.510 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.526 -1.410 5.806 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.616 -2.218 4.848 1.00 0.00 C ATOM 587 CZ TYR A 37 4.398 -2.477 5.502 1.00 0.00 C ATOM 588 OH TYR A 37 4.069 -3.751 5.848 1.00 0.00 O ATOM 0 H TYR A 37 4.127 2.371 6.364 1.00 0.00 H new ATOM 0 HA TYR A 37 6.906 1.711 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.639 2.120 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.238 1.560 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.210 0.718 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.899 -0.708 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.586 -1.605 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.282 -3.033 4.606 1.00 0.00 H new ATOM 0 HH TYR A 37 4.781 -4.362 5.563 1.00 0.00 H new ATOM 598 N GLY A 38 6.013 4.757 5.458 1.00 0.00 N ATOM 599 CA GLY A 38 6.565 6.068 5.149 1.00 0.00 C ATOM 600 C GLY A 38 5.485 7.140 5.170 1.00 0.00 C ATOM 601 O GLY A 38 5.336 7.854 6.158 1.00 0.00 O ATOM 0 H GLY A 38 5.061 4.772 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.342 6.317 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.038 6.044 4.167 1.00 0.00 H new ATOM 605 N ARG A 39 4.726 7.257 4.074 1.00 0.00 N ATOM 606 CA ARG A 39 3.613 8.192 3.989 1.00 0.00 C ATOM 607 C ARG A 39 2.634 7.789 2.900 1.00 0.00 C ATOM 608 O ARG A 39 2.937 6.947 2.053 1.00 0.00 O ATOM 609 CB ARG A 39 4.134 9.615 3.764 1.00 0.00 C ATOM 610 CG ARG A 39 5.185 9.714 2.656 1.00 0.00 C ATOM 611 CD ARG A 39 5.481 11.189 2.375 1.00 0.00 C ATOM 612 NE ARG A 39 6.063 11.856 3.544 1.00 0.00 N ATOM 613 CZ ARG A 39 7.373 11.892 3.819 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.262 11.302 3.022 1.00 0.00 N ATOM 615 NH2 ARG A 39 7.801 12.526 4.908 1.00 0.00 N ATOM 0 H ARG A 39 4.870 6.706 3.228 1.00 0.00 H new ATOM 0 HA ARG A 39 3.073 8.167 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.295 10.265 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.563 9.987 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.097 9.198 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.825 9.224 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.167 11.269 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.561 11.697 2.087 1.00 0.00 H new ATOM 0 HE ARG A 39 5.428 12.324 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.949 10.811 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.256 11.341 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.132 12.982 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.798 12.556 5.122 1.00 0.00 H new ATOM 629 N VAL A 40 1.446 8.400 2.934 1.00 0.00 N ATOM 630 CA VAL A 40 0.350 8.100 2.022 1.00 0.00 C ATOM 631 C VAL A 40 -0.238 9.420 1.535 1.00 0.00 C ATOM 632 O VAL A 40 -0.247 10.404 2.275 1.00 0.00 O ATOM 633 CB VAL A 40 -0.723 7.284 2.763 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.814 6.807 1.808 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.114 6.047 3.428 1.00 0.00 C ATOM 0 H VAL A 40 1.220 9.129 3.610 1.00 0.00 H new ATOM 0 HA VAL A 40 0.707 7.517 1.173 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.150 7.945 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.557 6.233 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.293 7.669 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.372 6.178 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.896 5.489 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.342 5.413 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.645 6.357 4.146 1.00 0.00 H new ATOM 645 N GLY A 41 -0.725 9.447 0.291 1.00 0.00 N ATOM 646 CA GLY A 41 -1.296 10.647 -0.303 1.00 0.00 C ATOM 647 C GLY A 41 -2.809 10.526 -0.455 1.00 0.00 C ATOM 648 O GLY A 41 -3.491 11.538 -0.590 1.00 0.00 O ATOM 0 H GLY A 41 -0.732 8.636 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.059 11.511 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.843 10.823 -1.279 1.00 0.00 H new ATOM 652 N ASP A 42 -3.328 9.298 -0.427 1.00 0.00 N ATOM 653 CA ASP A 42 -4.763 9.069 -0.450 1.00 0.00 C ATOM 654 C ASP A 42 -5.089 7.690 0.109 1.00 0.00 C ATOM 655 O ASP A 42 -4.260 6.790 0.046 1.00 0.00 O ATOM 656 CB ASP A 42 -5.258 9.183 -1.894 1.00 0.00 C ATOM 657 CG ASP A 42 -6.777 9.080 -1.983 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.441 9.480 -1.001 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.267 8.600 -3.028 1.00 0.00 O ATOM 0 H ASP A 42 -2.768 8.446 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.261 9.814 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.933 10.134 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.805 8.396 -2.497 1.00 0.00 H new ATOM 664 N VAL A 43 -6.297 7.533 0.655 1.00 0.00 N ATOM 665 CA VAL A 43 -6.798 6.272 1.182 1.00 0.00 C ATOM 666 C VAL A 43 -8.288 6.385 1.478 1.00 0.00 C ATOM 667 O VAL A 43 -8.681 6.930 2.509 1.00 0.00 O ATOM 668 CB VAL A 43 -6.016 5.851 2.437 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.763 7.013 3.396 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.706 4.712 3.185 1.00 0.00 C ATOM 0 H VAL A 43 -6.965 8.299 0.743 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.652 5.498 0.429 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.051 5.500 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.207 6.655 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.185 7.785 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.716 7.429 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.120 4.446 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.701 5.031 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.790 3.845 2.530 1.00 0.00 H new ATOM 680 N TYR A 44 -9.129 5.875 0.578 1.00 0.00 N ATOM 681 CA TYR A 44 -10.551 5.764 0.859 1.00 0.00 C ATOM 682 C TYR A 44 -11.230 4.709 -0.010 1.00 0.00 C ATOM 683 O TYR A 44 -10.588 4.059 -0.842 1.00 0.00 O ATOM 684 CB TYR A 44 -11.239 7.135 0.827 1.00 0.00 C ATOM 685 CG TYR A 44 -11.630 7.717 -0.512 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.025 7.310 -1.711 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.633 8.699 -0.530 1.00 0.00 C ATOM 688 CE1 TYR A 44 -11.453 7.866 -2.922 1.00 0.00 C ATOM 689 CE2 TYR A 44 -13.045 9.274 -1.736 1.00 0.00 C ATOM 690 CZ TYR A 44 -12.460 8.851 -2.945 1.00 0.00 C ATOM 691 OH TYR A 44 -12.851 9.392 -4.130 1.00 0.00 O ATOM 0 H TYR A 44 -8.849 5.536 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.662 5.401 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.141 7.067 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.578 7.849 1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.235 6.573 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.091 9.013 0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.007 7.536 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.808 10.038 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.524 10.314 -4.193 1.00 0.00 H new ATOM 701 N ILE A 45 -12.539 4.541 0.194 1.00 0.00 N ATOM 702 CA ILE A 45 -13.314 3.500 -0.461 1.00 0.00 C ATOM 703 C ILE A 45 -14.382 4.162 -1.331 1.00 0.00 C ATOM 704 O ILE A 45 -15.184 4.947 -0.827 1.00 0.00 O ATOM 705 CB ILE A 45 -13.913 2.569 0.608 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.753 1.978 1.415 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.733 1.440 -0.018 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.149 0.820 2.329 1.00 0.00 C ATOM 0 H ILE A 45 -13.087 5.129 0.822 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.689 2.887 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.587 3.142 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.984 1.633 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.308 2.767 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.139 0.805 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.551 1.864 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.094 0.845 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.269 0.461 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.895 1.162 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.566 0.010 1.730 1.00 0.00 H new ATOM 720 N PRO A 46 -14.389 3.849 -2.635 1.00 0.00 N ATOM 721 CA PRO A 46 -15.287 4.417 -3.635 1.00 0.00 C ATOM 722 C PRO A 46 -16.708 3.867 -3.509 1.00 0.00 C ATOM 723 O PRO A 46 -17.337 3.524 -4.511 1.00 0.00 O ATOM 724 CB PRO A 46 -14.655 4.073 -4.980 1.00 0.00 C ATOM 725 CG PRO A 46 -13.940 2.755 -4.703 1.00 0.00 C ATOM 726 CD PRO A 46 -13.481 2.904 -3.257 1.00 0.00 C ATOM 0 HA PRO A 46 -15.398 5.494 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.406 3.967 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.961 4.846 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.606 1.902 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.098 2.604 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.506 1.944 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.453 3.265 -3.211 1.00 0.00 H new ATOM 734 N ARG A 47 -17.218 3.776 -2.276 1.00 0.00 N ATOM 735 CA ARG A 47 -18.582 3.337 -2.018 1.00 0.00 C ATOM 736 C ARG A 47 -19.557 4.201 -2.810 1.00 0.00 C ATOM 737 O ARG A 47 -19.204 5.299 -3.240 1.00 0.00 O ATOM 738 CB ARG A 47 -18.896 3.457 -0.521 1.00 0.00 C ATOM 739 CG ARG A 47 -17.847 2.788 0.373 1.00 0.00 C ATOM 740 CD ARG A 47 -18.293 2.856 1.832 1.00 0.00 C ATOM 741 NE ARG A 47 -17.281 2.293 2.730 1.00 0.00 N ATOM 742 CZ ARG A 47 -17.455 2.128 4.046 1.00 0.00 C ATOM 743 NH1 ARG A 47 -18.594 2.478 4.630 1.00 0.00 N ATOM 744 NH2 ARG A 47 -16.482 1.609 4.787 1.00 0.00 N ATOM 0 H ARG A 47 -16.692 4.006 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.684 2.296 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.970 4.512 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.870 3.009 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.709 1.749 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.884 3.285 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.488 3.893 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.230 2.313 1.953 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.388 2.009 2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.350 2.878 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.713 2.347 5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.601 1.336 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.616 1.484 5.790 1.00 0.00 H new ATOM 758 N ASP A 48 -20.783 3.716 -3.006 1.00 0.00 N ATOM 759 CA ASP A 48 -21.810 4.532 -3.630 1.00 0.00 C ATOM 760 C ASP A 48 -21.922 5.827 -2.833 1.00 0.00 C ATOM 761 O ASP A 48 -22.230 5.803 -1.641 1.00 0.00 O ATOM 762 CB ASP A 48 -23.131 3.771 -3.684 1.00 0.00 C ATOM 763 CG ASP A 48 -23.064 2.589 -4.643 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.598 2.796 -5.787 1.00 0.00 O ATOM 765 OD2 ASP A 48 -23.486 1.482 -4.231 1.00 0.00 O ATOM 0 H ASP A 48 -21.081 2.776 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.549 4.770 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.387 3.415 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.927 4.447 -3.995 1.00 0.00 H new ATOM 770 N ARG A 49 -21.666 6.952 -3.505 1.00 0.00 N ATOM 771 CA ARG A 49 -21.470 8.256 -2.886 1.00 0.00 C ATOM 772 C ARG A 49 -22.716 8.848 -2.214 1.00 0.00 C ATOM 773 O ARG A 49 -22.738 10.030 -1.882 1.00 0.00 O ATOM 774 CB ARG A 49 -20.827 9.174 -3.927 1.00 0.00 C ATOM 775 CG ARG A 49 -21.801 9.823 -4.911 1.00 0.00 C ATOM 776 CD ARG A 49 -21.010 10.684 -5.894 1.00 0.00 C ATOM 777 NE ARG A 49 -20.350 11.809 -5.226 1.00 0.00 N ATOM 778 CZ ARG A 49 -20.902 13.007 -5.024 1.00 0.00 C ATOM 779 NH1 ARG A 49 -22.143 13.269 -5.426 1.00 0.00 N ATOM 780 NH2 ARG A 49 -20.205 13.958 -4.409 1.00 0.00 N ATOM 0 H ARG A 49 -21.588 6.977 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 49 -20.799 8.140 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.282 9.962 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.094 8.599 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.362 9.057 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.528 10.434 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.262 10.069 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.680 11.062 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.398 11.666 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.689 12.548 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.548 14.191 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.253 13.770 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.622 14.875 -4.252 1.00 0.00 H new ATOM 794 N TYR A 50 -23.749 8.027 -2.020 1.00 0.00 N ATOM 795 CA TYR A 50 -25.030 8.426 -1.446 1.00 0.00 C ATOM 796 C TYR A 50 -25.634 7.308 -0.579 1.00 0.00 C ATOM 797 O TYR A 50 -26.714 7.490 -0.020 1.00 0.00 O ATOM 798 CB TYR A 50 -25.974 8.776 -2.598 1.00 0.00 C ATOM 799 CG TYR A 50 -25.895 7.718 -3.666 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.888 7.801 -4.637 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.786 6.640 -3.663 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.719 6.769 -5.562 1.00 0.00 C ATOM 803 CE2 TYR A 50 -26.632 5.607 -4.593 1.00 0.00 C ATOM 804 CZ TYR A 50 -25.593 5.665 -5.550 1.00 0.00 C ATOM 805 OH TYR A 50 -25.442 4.656 -6.454 1.00 0.00 O ATOM 0 H TYR A 50 -23.714 7.038 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 50 -24.883 9.288 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.997 8.857 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.708 9.747 -3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.241 8.665 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.591 6.605 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -23.919 6.817 -6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -27.307 4.764 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 50 -26.130 3.975 -6.302 1.00 0.00 H new ATOM 815 N THR A 51 -24.957 6.157 -0.448 1.00 0.00 N ATOM 816 CA THR A 51 -25.366 5.109 0.490 1.00 0.00 C ATOM 817 C THR A 51 -24.203 4.697 1.388 1.00 0.00 C ATOM 818 O THR A 51 -24.414 4.188 2.487 1.00 0.00 O ATOM 819 CB THR A 51 -25.920 3.867 -0.211 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.879 3.193 -0.876 1.00 0.00 O ATOM 821 CG2 THR A 51 -27.001 4.217 -1.221 1.00 0.00 C ATOM 0 H THR A 51 -24.120 5.931 -0.985 1.00 0.00 H new ATOM 0 HA THR A 51 -26.166 5.541 1.091 1.00 0.00 H new ATOM 0 HB THR A 51 -26.362 3.231 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 51 -25.237 2.397 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 51 -27.366 3.305 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.826 4.717 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.588 4.880 -1.981 1.00 0.00 H new ATOM 828 N LYS A 52 -22.977 4.929 0.905 1.00 0.00 N ATOM 829 CA LYS A 52 -21.720 4.753 1.619 1.00 0.00 C ATOM 830 C LYS A 52 -21.614 3.421 2.364 1.00 0.00 C ATOM 831 O LYS A 52 -21.028 3.374 3.443 1.00 0.00 O ATOM 832 CB LYS A 52 -21.488 5.944 2.559 1.00 0.00 C ATOM 833 CG LYS A 52 -21.743 7.290 1.871 1.00 0.00 C ATOM 834 CD LYS A 52 -23.066 7.899 2.338 1.00 0.00 C ATOM 835 CE LYS A 52 -23.305 9.256 1.666 1.00 0.00 C ATOM 836 NZ LYS A 52 -22.290 10.253 2.072 1.00 0.00 N ATOM 0 H LYS A 52 -22.834 5.263 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 52 -20.929 4.721 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -22.143 5.852 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -20.463 5.917 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.925 7.976 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.763 7.153 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.887 7.222 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.054 8.021 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -23.283 9.135 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.299 9.621 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -22.608 11.204 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -22.160 10.216 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.387 10.040 1.602 1.00 0.00 H new ATOM 850 N GLU A 53 -22.167 2.336 1.811 1.00 0.00 N ATOM 851 CA GLU A 53 -22.171 1.041 2.490 1.00 0.00 C ATOM 852 C GLU A 53 -21.395 -0.048 1.747 1.00 0.00 C ATOM 853 O GLU A 53 -21.359 -1.190 2.204 1.00 0.00 O ATOM 854 CB GLU A 53 -23.612 0.604 2.763 1.00 0.00 C ATOM 855 CG GLU A 53 -24.374 0.358 1.461 1.00 0.00 C ATOM 856 CD GLU A 53 -25.787 -0.137 1.752 1.00 0.00 C ATOM 857 OE1 GLU A 53 -26.677 0.725 1.939 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.974 -1.374 1.787 1.00 0.00 O ATOM 0 H GLU A 53 -22.617 2.332 0.895 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.643 1.178 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.611 -0.306 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.122 1.370 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.418 1.279 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.843 -0.376 0.856 1.00 0.00 H new ATOM 865 N SER A 54 -20.774 0.278 0.611 1.00 0.00 N ATOM 866 CA SER A 54 -19.971 -0.685 -0.136 1.00 0.00 C ATOM 867 C SER A 54 -18.646 -0.964 0.571 1.00 0.00 C ATOM 868 O SER A 54 -18.288 -0.274 1.524 1.00 0.00 O ATOM 869 CB SER A 54 -19.662 -0.140 -1.529 1.00 0.00 C ATOM 870 OG SER A 54 -20.803 0.471 -2.100 1.00 0.00 O ATOM 0 H SER A 54 -20.814 1.206 0.189 1.00 0.00 H new ATOM 0 HA SER A 54 -20.546 -1.608 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.850 0.584 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.319 -0.950 -2.172 1.00 0.00 H new ATOM 0 HG SER A 54 -20.579 0.813 -2.991 1.00 0.00 H new ATOM 876 N ARG A 55 -17.915 -1.979 0.094 1.00 0.00 N ATOM 877 CA ARG A 55 -16.584 -2.353 0.559 1.00 0.00 C ATOM 878 C ARG A 55 -16.105 -3.603 -0.169 1.00 0.00 C ATOM 879 O ARG A 55 -16.880 -4.305 -0.817 1.00 0.00 O ATOM 880 CB ARG A 55 -16.557 -2.593 2.078 1.00 0.00 C ATOM 881 CG ARG A 55 -17.521 -3.703 2.505 1.00 0.00 C ATOM 882 CD ARG A 55 -17.402 -3.905 4.013 1.00 0.00 C ATOM 883 NE ARG A 55 -18.232 -5.027 4.471 1.00 0.00 N ATOM 884 CZ ARG A 55 -17.969 -5.749 5.563 1.00 0.00 C ATOM 885 NH1 ARG A 55 -16.926 -5.456 6.338 1.00 0.00 N ATOM 886 NH2 ARG A 55 -18.754 -6.772 5.890 1.00 0.00 N ATOM 0 H ARG A 55 -18.252 -2.583 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.914 -1.522 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.545 -2.855 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.817 -1.669 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.544 -3.437 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.286 -4.629 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.360 -4.090 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.704 -2.993 4.529 1.00 0.00 H new ATOM 0 HE ARG A 55 -19.058 -5.269 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.318 -4.673 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.736 -6.015 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.557 -7.005 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.552 -7.323 6.724 1.00 0.00 H new ATOM 900 N GLY A 56 -14.802 -3.858 -0.039 1.00 0.00 N ATOM 901 CA GLY A 56 -14.118 -5.015 -0.602 1.00 0.00 C ATOM 902 C GLY A 56 -12.661 -4.660 -0.887 1.00 0.00 C ATOM 903 O GLY A 56 -11.797 -5.534 -0.968 1.00 0.00 O ATOM 0 H GLY A 56 -14.176 -3.242 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.169 -5.854 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.612 -5.331 -1.521 1.00 0.00 H new ATOM 907 N PHE A 57 -12.400 -3.356 -1.029 1.00 0.00 N ATOM 908 CA PHE A 57 -11.085 -2.800 -1.279 1.00 0.00 C ATOM 909 C PHE A 57 -11.084 -1.337 -0.843 1.00 0.00 C ATOM 910 O PHE A 57 -12.138 -0.783 -0.541 1.00 0.00 O ATOM 911 CB PHE A 57 -10.758 -2.919 -2.769 1.00 0.00 C ATOM 912 CG PHE A 57 -11.663 -2.124 -3.688 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.997 -2.517 -3.889 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.168 -0.994 -4.350 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.814 -1.807 -4.781 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.987 -0.273 -5.227 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.309 -0.683 -5.447 1.00 0.00 C ATOM 0 H PHE A 57 -13.128 -2.644 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.327 -3.344 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.729 -2.595 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.808 -3.970 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.394 -3.368 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.149 -0.677 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.831 -2.126 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.600 0.599 -5.734 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.938 -0.132 -6.130 1.00 0.00 H new ATOM 927 N ALA A 58 -9.908 -0.716 -0.818 1.00 0.00 N ATOM 928 CA ALA A 58 -9.773 0.687 -0.473 1.00 0.00 C ATOM 929 C ALA A 58 -8.583 1.247 -1.232 1.00 0.00 C ATOM 930 O ALA A 58 -7.442 0.971 -0.875 1.00 0.00 O ATOM 931 CB ALA A 58 -9.568 0.843 1.036 1.00 0.00 C ATOM 0 H ALA A 58 -9.024 -1.176 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.677 1.231 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.468 1.900 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.426 0.427 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.664 0.313 1.337 1.00 0.00 H new ATOM 937 N PHE A 59 -8.846 2.029 -2.281 1.00 0.00 N ATOM 938 CA PHE A 59 -7.777 2.558 -3.106 1.00 0.00 C ATOM 939 C PHE A 59 -7.007 3.562 -2.266 1.00 0.00 C ATOM 940 O PHE A 59 -7.554 4.587 -1.857 1.00 0.00 O ATOM 941 CB PHE A 59 -8.330 3.182 -4.392 1.00 0.00 C ATOM 942 CG PHE A 59 -7.290 3.934 -5.194 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.014 5.266 -4.852 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.605 3.339 -6.269 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.042 5.988 -5.547 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.610 4.061 -6.946 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.317 5.381 -6.581 1.00 0.00 C ATOM 0 H PHE A 59 -9.784 2.304 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.107 1.760 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.757 2.395 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.142 3.863 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.557 5.736 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.844 2.330 -6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.848 7.018 -5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.066 3.595 -7.755 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.538 5.927 -7.093 1.00 0.00 H new ATOM 957 N VAL A 60 -5.735 3.264 -2.014 1.00 0.00 N ATOM 958 CA VAL A 60 -4.842 4.217 -1.368 1.00 0.00 C ATOM 959 C VAL A 60 -3.755 4.556 -2.365 1.00 0.00 C ATOM 960 O VAL A 60 -3.639 3.863 -3.374 1.00 0.00 O ATOM 961 CB VAL A 60 -4.265 3.671 -0.053 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.241 2.727 0.640 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.932 2.959 -0.273 1.00 0.00 C ATOM 0 H VAL A 60 -5.302 2.371 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.392 5.115 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.096 4.534 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.798 2.361 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.165 3.260 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.459 1.884 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.556 2.587 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.075 2.123 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.212 3.658 -0.699 1.00 0.00 H new ATOM 973 N ARG A 61 -2.955 5.594 -2.100 1.00 0.00 N ATOM 974 CA ARG A 61 -1.886 5.951 -3.019 1.00 0.00 C ATOM 975 C ARG A 61 -0.657 6.463 -2.280 1.00 0.00 C ATOM 976 O ARG A 61 -0.792 7.112 -1.241 1.00 0.00 O ATOM 977 CB ARG A 61 -2.415 6.950 -4.061 1.00 0.00 C ATOM 978 CG ARG A 61 -2.159 8.400 -3.649 1.00 0.00 C ATOM 979 CD ARG A 61 -2.897 9.359 -4.581 1.00 0.00 C ATOM 980 NE ARG A 61 -2.547 9.106 -5.983 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.435 9.034 -6.975 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.726 9.273 -6.756 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.042 8.725 -8.208 1.00 0.00 N ATOM 0 H ARG A 61 -3.029 6.187 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.558 5.057 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.938 6.757 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.485 6.796 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.489 8.556 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.089 8.608 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.973 9.247 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.648 10.388 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.562 8.977 -6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.048 9.515 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.393 9.214 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.057 8.542 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.726 8.671 -8.963 1.00 0.00 H new ATOM 997 N PHE A 62 0.534 6.171 -2.819 1.00 0.00 N ATOM 998 CA PHE A 62 1.799 6.610 -2.229 1.00 0.00 C ATOM 999 C PHE A 62 2.537 7.564 -3.155 1.00 0.00 C ATOM 1000 O PHE A 62 2.245 7.627 -4.350 1.00 0.00 O ATOM 1001 CB PHE A 62 2.726 5.424 -1.948 1.00 0.00 C ATOM 1002 CG PHE A 62 2.437 4.627 -0.698 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.217 3.949 -0.533 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.419 4.556 0.301 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.993 3.189 0.626 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.201 3.786 1.447 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.993 3.094 1.607 1.00 0.00 C ATOM 0 H PHE A 62 0.644 5.625 -3.674 1.00 0.00 H new ATOM 0 HA PHE A 62 1.544 7.113 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.684 4.748 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.748 5.797 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.454 4.012 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.346 5.098 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.052 2.678 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.964 3.724 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.831 2.487 2.486 1.00 0.00 H new ATOM 1017 N HIS A 63 3.502 8.298 -2.587 1.00 0.00 N ATOM 1018 CA HIS A 63 4.247 9.311 -3.313 1.00 0.00 C ATOM 1019 C HIS A 63 5.748 9.077 -3.313 1.00 0.00 C ATOM 1020 O HIS A 63 6.416 9.423 -4.285 1.00 0.00 O ATOM 1021 CB HIS A 63 3.934 10.714 -2.781 1.00 0.00 C ATOM 1022 CG HIS A 63 3.186 10.828 -1.476 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.140 11.724 -1.262 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.407 10.123 -0.319 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.767 11.557 0.013 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.502 10.598 0.601 1.00 0.00 N ATOM 0 H HIS A 63 3.781 8.200 -1.611 1.00 0.00 H new ATOM 0 HA HIS A 63 3.916 9.233 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.878 11.248 -2.672 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.357 11.239 -3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.144 9.350 -0.163 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.983 12.116 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.405 10.277 1.564 1.00 0.00 H new ATOM 1034 N ASP A 64 6.284 8.495 -2.245 1.00 0.00 N ATOM 1035 CA ASP A 64 7.697 8.159 -2.206 1.00 0.00 C ATOM 1036 C ASP A 64 7.914 6.806 -2.871 1.00 0.00 C ATOM 1037 O ASP A 64 7.220 5.834 -2.575 1.00 0.00 O ATOM 1038 CB ASP A 64 8.161 8.129 -0.754 1.00 0.00 C ATOM 1039 CG ASP A 64 8.592 9.514 -0.285 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.620 10.001 -0.807 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.896 10.070 0.589 1.00 0.00 O ATOM 0 H ASP A 64 5.764 8.249 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 64 8.278 8.907 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.355 7.762 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.992 7.432 -0.649 1.00 0.00 H new ATOM 1046 N LYS A 65 8.888 6.747 -3.777 1.00 0.00 N ATOM 1047 CA LYS A 65 9.197 5.537 -4.522 1.00 0.00 C ATOM 1048 C LYS A 65 9.707 4.437 -3.601 1.00 0.00 C ATOM 1049 O LYS A 65 9.263 3.297 -3.726 1.00 0.00 O ATOM 1050 CB LYS A 65 10.249 5.921 -5.566 1.00 0.00 C ATOM 1051 CG LYS A 65 10.780 4.755 -6.410 1.00 0.00 C ATOM 1052 CD LYS A 65 9.702 4.202 -7.345 1.00 0.00 C ATOM 1053 CE LYS A 65 8.951 3.017 -6.753 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.824 1.832 -6.663 1.00 0.00 N ATOM 0 H LYS A 65 9.484 7.541 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 65 8.303 5.139 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.820 6.668 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.089 6.393 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.635 5.089 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.135 3.961 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.992 4.994 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.164 3.899 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.579 3.276 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.082 2.787 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.255 0.971 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.552 1.880 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.282 1.808 -5.729 1.00 0.00 H new ATOM 1068 N ARG A 66 10.627 4.764 -2.686 1.00 0.00 N ATOM 1069 CA ARG A 66 11.308 3.771 -1.853 1.00 0.00 C ATOM 1070 C ARG A 66 10.381 3.027 -0.897 1.00 0.00 C ATOM 1071 O ARG A 66 10.679 1.898 -0.515 1.00 0.00 O ATOM 1072 CB ARG A 66 12.491 4.418 -1.124 1.00 0.00 C ATOM 1073 CG ARG A 66 12.209 5.774 -0.461 1.00 0.00 C ATOM 1074 CD ARG A 66 11.406 5.692 0.840 1.00 0.00 C ATOM 1075 NE ARG A 66 12.128 4.960 1.889 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.689 4.858 3.147 1.00 0.00 C ATOM 1077 NH1 ARG A 66 10.530 5.404 3.509 1.00 0.00 N ATOM 1078 NH2 ARG A 66 12.413 4.207 4.054 1.00 0.00 N ATOM 0 H ARG A 66 10.919 5.724 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 66 11.687 3.000 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.843 3.727 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.306 4.546 -1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.159 6.268 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.668 6.404 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.181 6.699 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.452 5.201 0.647 1.00 0.00 H new ATOM 0 HE ARG A 66 13.009 4.507 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.967 5.907 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.205 5.320 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.303 3.786 3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.078 4.129 5.014 1.00 0.00 H new ATOM 1092 N ASP A 67 9.261 3.631 -0.504 1.00 0.00 N ATOM 1093 CA ASP A 67 8.353 2.983 0.427 1.00 0.00 C ATOM 1094 C ASP A 67 7.100 2.499 -0.280 1.00 0.00 C ATOM 1095 O ASP A 67 6.280 1.808 0.324 1.00 0.00 O ATOM 1096 CB ASP A 67 8.044 3.876 1.626 1.00 0.00 C ATOM 1097 CG ASP A 67 7.676 5.309 1.256 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.687 5.477 0.511 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.398 6.218 1.727 1.00 0.00 O ATOM 0 H ASP A 67 8.967 4.557 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 67 8.853 2.100 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.223 3.436 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.912 3.894 2.286 1.00 0.00 H new ATOM 1104 N ALA A 68 6.948 2.850 -1.556 1.00 0.00 N ATOM 1105 CA ALA A 68 5.910 2.250 -2.355 1.00 0.00 C ATOM 1106 C ALA A 68 6.333 0.824 -2.706 1.00 0.00 C ATOM 1107 O ALA A 68 5.519 -0.102 -2.687 1.00 0.00 O ATOM 1108 CB ALA A 68 5.714 3.091 -3.618 1.00 0.00 C ATOM 0 H ALA A 68 7.526 3.536 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 68 4.966 2.214 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.930 2.648 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.427 4.105 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.645 3.121 -4.184 1.00 0.00 H new ATOM 1114 N GLU A 69 7.619 0.637 -3.026 1.00 0.00 N ATOM 1115 CA GLU A 69 8.134 -0.688 -3.343 1.00 0.00 C ATOM 1116 C GLU A 69 8.387 -1.502 -2.079 1.00 0.00 C ATOM 1117 O GLU A 69 8.277 -2.727 -2.120 1.00 0.00 O ATOM 1118 CB GLU A 69 9.414 -0.576 -4.174 1.00 0.00 C ATOM 1119 CG GLU A 69 10.489 0.252 -3.466 1.00 0.00 C ATOM 1120 CD GLU A 69 11.801 0.243 -4.241 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.614 -0.674 -3.997 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.979 1.157 -5.076 1.00 0.00 O ATOM 0 H GLU A 69 8.312 1.384 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 69 7.378 -1.211 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.802 -1.574 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.182 -0.121 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.141 1.278 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.654 -0.144 -2.464 1.00 0.00 H new ATOM 1129 N ASP A 70 8.722 -0.868 -0.952 1.00 0.00 N ATOM 1130 CA ASP A 70 8.872 -1.629 0.271 1.00 0.00 C ATOM 1131 C ASP A 70 7.521 -2.169 0.727 1.00 0.00 C ATOM 1132 O ASP A 70 7.438 -3.308 1.180 1.00 0.00 O ATOM 1133 CB ASP A 70 9.513 -0.755 1.350 1.00 0.00 C ATOM 1134 CG ASP A 70 9.857 -1.569 2.595 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.626 -2.546 2.454 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.349 -1.209 3.680 1.00 0.00 O ATOM 0 H ASP A 70 8.888 0.135 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 70 9.526 -2.481 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.417 -0.292 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.832 0.053 1.618 1.00 0.00 H new ATOM 1141 N ALA A 71 6.459 -1.372 0.607 1.00 0.00 N ATOM 1142 CA ALA A 71 5.145 -1.798 1.056 1.00 0.00 C ATOM 1143 C ALA A 71 4.618 -2.962 0.221 1.00 0.00 C ATOM 1144 O ALA A 71 3.916 -3.822 0.751 1.00 0.00 O ATOM 1145 CB ALA A 71 4.183 -0.614 0.987 1.00 0.00 C ATOM 0 H ALA A 71 6.488 -0.435 0.205 1.00 0.00 H new ATOM 0 HA ALA A 71 5.226 -2.147 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.195 -0.928 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.547 0.188 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.120 -0.256 -0.041 1.00 0.00 H new ATOM 1151 N MET A 72 4.940 -3.017 -1.080 1.00 0.00 N ATOM 1152 CA MET A 72 4.457 -4.136 -1.883 1.00 0.00 C ATOM 1153 C MET A 72 5.292 -5.373 -1.594 1.00 0.00 C ATOM 1154 O MET A 72 4.767 -6.481 -1.499 1.00 0.00 O ATOM 1155 CB MET A 72 4.486 -3.785 -3.374 1.00 0.00 C ATOM 1156 CG MET A 72 5.855 -3.986 -4.024 1.00 0.00 C ATOM 1157 SD MET A 72 5.901 -3.642 -5.798 1.00 0.00 S ATOM 1158 CE MET A 72 5.254 -1.955 -5.748 1.00 0.00 C ATOM 0 H MET A 72 5.508 -2.330 -1.576 1.00 0.00 H new ATOM 0 HA MET A 72 3.422 -4.346 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.751 -4.397 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.182 -2.746 -3.500 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.579 -3.343 -3.523 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.174 -5.015 -3.858 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.762 -1.348 -6.497 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.184 -1.969 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.425 -1.529 -4.759 1.00 0.00 H new ATOM 1168 N ASP A 73 6.600 -5.167 -1.454 1.00 0.00 N ATOM 1169 CA ASP A 73 7.543 -6.236 -1.176 1.00 0.00 C ATOM 1170 C ASP A 73 7.467 -6.705 0.279 1.00 0.00 C ATOM 1171 O ASP A 73 8.191 -7.623 0.664 1.00 0.00 O ATOM 1172 CB ASP A 73 8.954 -5.742 -1.511 1.00 0.00 C ATOM 1173 CG ASP A 73 9.987 -6.866 -1.444 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.795 -7.872 -2.162 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.962 -6.709 -0.674 1.00 0.00 O ATOM 0 H ASP A 73 7.033 -4.247 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 73 7.289 -7.097 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.957 -5.306 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.235 -4.950 -0.817 1.00 0.00 H new ATOM 1180 N ALA A 74 6.600 -6.096 1.098 1.00 0.00 N ATOM 1181 CA ALA A 74 6.522 -6.445 2.505 1.00 0.00 C ATOM 1182 C ALA A 74 5.110 -6.763 2.991 1.00 0.00 C ATOM 1183 O ALA A 74 4.951 -7.189 4.132 1.00 0.00 O ATOM 1184 CB ALA A 74 7.083 -5.288 3.317 1.00 0.00 C ATOM 0 H ALA A 74 5.951 -5.366 0.805 1.00 0.00 H new ATOM 0 HA ALA A 74 7.101 -7.359 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.033 -5.531 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.121 -5.113 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.498 -4.389 3.122 1.00 0.00 H new ATOM 1190 N MET A 75 4.080 -6.576 2.159 1.00 0.00 N ATOM 1191 CA MET A 75 2.728 -6.912 2.588 1.00 0.00 C ATOM 1192 C MET A 75 1.872 -7.625 1.545 1.00 0.00 C ATOM 1193 O MET A 75 0.993 -8.395 1.922 1.00 0.00 O ATOM 1194 CB MET A 75 1.993 -5.641 3.008 1.00 0.00 C ATOM 1195 CG MET A 75 1.127 -5.962 4.221 1.00 0.00 C ATOM 1196 SD MET A 75 -0.100 -4.693 4.643 1.00 0.00 S ATOM 1197 CE MET A 75 1.006 -3.289 4.934 1.00 0.00 C ATOM 0 H MET A 75 4.156 -6.204 1.212 1.00 0.00 H new ATOM 0 HA MET A 75 2.863 -7.611 3.413 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.706 -4.853 3.250 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.376 -5.272 2.189 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.607 -6.903 4.039 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.777 -6.118 5.082 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.415 -2.385 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.610 -3.479 5.821 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.659 -3.156 4.072 1.00 0.00 H new ATOM 1207 N ASP A 76 2.090 -7.403 0.246 1.00 0.00 N ATOM 1208 CA ASP A 76 1.234 -8.036 -0.743 1.00 0.00 C ATOM 1209 C ASP A 76 1.435 -9.551 -0.738 1.00 0.00 C ATOM 1210 O ASP A 76 2.545 -10.055 -0.565 1.00 0.00 O ATOM 1211 CB ASP A 76 1.504 -7.459 -2.132 1.00 0.00 C ATOM 1212 CG ASP A 76 1.004 -8.377 -3.246 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.228 -8.383 -3.464 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.852 -9.059 -3.860 1.00 0.00 O ATOM 0 H ASP A 76 2.829 -6.809 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 76 0.196 -7.830 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.019 -6.487 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.575 -7.294 -2.253 1.00 0.00 H new ATOM 1219 N GLY A 77 0.328 -10.270 -0.933 1.00 0.00 N ATOM 1220 CA GLY A 77 0.327 -11.721 -1.036 1.00 0.00 C ATOM 1221 C GLY A 77 0.474 -12.405 0.321 1.00 0.00 C ATOM 1222 O GLY A 77 0.650 -13.623 0.375 1.00 0.00 O ATOM 0 H GLY A 77 -0.598 -9.853 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.601 -12.048 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.142 -12.036 -1.688 1.00 0.00 H new ATOM 1226 N ALA A 78 0.406 -11.650 1.423 1.00 0.00 N ATOM 1227 CA ALA A 78 0.549 -12.193 2.766 1.00 0.00 C ATOM 1228 C ALA A 78 -0.772 -12.771 3.267 1.00 0.00 C ATOM 1229 O ALA A 78 -1.069 -12.745 4.461 1.00 0.00 O ATOM 1230 CB ALA A 78 1.067 -11.097 3.695 1.00 0.00 C ATOM 0 H ALA A 78 0.249 -10.642 1.402 1.00 0.00 H new ATOM 0 HA ALA A 78 1.268 -13.012 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.177 -11.496 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.034 -10.744 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.360 -10.267 3.708 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.572 -13.295 2.339 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.927 -13.752 2.606 1.00 0.00 C ATOM 1238 C VAL A 79 -2.935 -15.072 3.364 1.00 0.00 C ATOM 1239 O VAL A 79 -1.948 -15.801 3.384 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.694 -13.876 1.285 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -5.186 -14.141 1.424 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.514 -12.633 0.406 1.00 0.00 C ATOM 0 H VAL A 79 -1.288 -13.414 1.366 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.421 -13.017 3.241 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.250 -14.756 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.637 -14.212 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.341 -15.077 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.651 -13.324 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.073 -12.759 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.884 -11.756 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.457 -12.499 0.177 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.077 -15.359 3.988 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.264 -16.559 4.792 1.00 0.00 C ATOM 1254 C LEU A 80 -5.737 -16.966 4.898 1.00 0.00 C ATOM 1255 O LEU A 80 -6.077 -17.831 5.703 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.628 -16.352 6.176 1.00 0.00 C ATOM 1257 CG LEU A 80 -3.837 -14.954 6.773 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.305 -14.550 6.810 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.278 -14.931 8.195 1.00 0.00 C ATOM 0 H LEU A 80 -4.901 -14.760 3.948 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.762 -17.388 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.038 -17.091 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.558 -16.545 6.102 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.315 -14.242 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.397 -13.553 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.707 -14.546 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.863 -15.262 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.422 -13.941 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.799 -15.671 8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.214 -15.165 8.171 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.619 -16.355 4.100 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.043 -16.681 4.113 1.00 0.00 C ATOM 1273 C ASP A 81 -8.678 -16.548 2.724 1.00 0.00 C ATOM 1274 O ASP A 81 -9.891 -16.691 2.582 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.748 -15.770 5.122 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.185 -16.208 5.393 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.370 -17.394 5.758 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.093 -15.360 5.231 1.00 0.00 O ATOM 0 H ASP A 81 -6.365 -15.626 3.433 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.158 -17.724 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.189 -15.767 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.747 -14.747 4.747 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.865 -16.273 1.697 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.336 -16.130 0.323 1.00 0.00 C ATOM 1285 C GLY A 82 -8.224 -14.691 -0.183 1.00 0.00 C ATOM 1286 O GLY A 82 -8.381 -14.444 -1.376 1.00 0.00 O ATOM 0 H GLY A 82 -6.859 -16.144 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.758 -16.787 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.375 -16.454 0.262 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.951 -13.735 0.715 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.834 -12.321 0.391 1.00 0.00 C ATOM 1292 C ARG A 83 -7.328 -11.582 1.622 1.00 0.00 C ATOM 1293 O ARG A 83 -8.037 -11.518 2.623 1.00 0.00 O ATOM 1294 CB ARG A 83 -9.221 -11.778 0.036 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.204 -10.265 -0.197 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.450 -9.657 0.445 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.673 -10.157 -0.194 1.00 0.00 N ATOM 1298 CZ ARG A 83 -12.898 -9.657 -0.006 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -13.101 -8.609 0.787 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -13.938 -10.211 -0.621 1.00 0.00 N ATOM 0 H ARG A 83 -7.804 -13.935 1.704 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.149 -12.183 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.587 -12.278 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.919 -12.013 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.304 -9.826 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.184 -10.047 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.468 -9.896 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.412 -8.571 0.363 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.581 -10.948 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.314 -8.171 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.044 -8.243 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.799 -11.015 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.875 -9.833 -0.480 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.117 -11.019 1.557 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.645 -10.150 2.630 1.00 0.00 C ATOM 1316 C GLU A 84 -5.105 -8.841 2.061 1.00 0.00 C ATOM 1317 O GLU A 84 -5.511 -7.782 2.524 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.588 -10.801 3.529 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.109 -11.974 4.360 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.276 -11.579 5.266 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.201 -10.490 5.877 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.243 -12.371 5.341 1.00 0.00 O ATOM 0 H GLU A 84 -5.460 -11.148 0.787 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.513 -9.954 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.763 -11.149 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.184 -10.045 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.427 -12.775 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.298 -12.371 4.970 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.204 -8.902 1.066 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.635 -7.701 0.463 1.00 0.00 C ATOM 1331 C LEU A 85 -3.490 -7.822 -1.044 1.00 0.00 C ATOM 1332 O LEU A 85 -3.401 -8.923 -1.589 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.206 -7.435 0.974 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.003 -6.963 2.413 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.914 -5.779 2.742 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.187 -8.104 3.405 1.00 0.00 C ATOM 0 H LEU A 85 -3.858 -9.775 0.667 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.327 -6.903 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.636 -8.355 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.757 -6.689 0.318 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.973 -6.618 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.746 -5.466 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.690 -4.950 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.955 -6.076 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.035 -7.733 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.196 -8.507 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.462 -8.890 3.194 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.467 -6.656 -1.694 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.107 -6.467 -3.091 1.00 0.00 C ATOM 1350 C ARG A 86 -2.548 -5.056 -3.228 1.00 0.00 C ATOM 1351 O ARG A 86 -3.297 -4.087 -3.117 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.338 -6.638 -3.988 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.642 -8.104 -4.301 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.410 -8.821 -4.850 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.760 -10.139 -5.378 1.00 0.00 N ATOM 1356 CZ ARG A 86 -3.897 -11.241 -4.633 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -3.719 -11.202 -3.315 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -4.215 -12.394 -5.210 1.00 0.00 N ATOM 0 H ARG A 86 -3.712 -5.779 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.368 -7.207 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.203 -6.188 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.181 -6.097 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.986 -8.607 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.453 -8.163 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.956 -8.219 -5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.666 -8.928 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.910 -10.224 -6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.474 -10.323 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.827 -12.051 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.354 -12.438 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.320 -13.236 -4.644 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.240 -4.932 -3.467 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.611 -3.625 -3.625 1.00 0.00 C ATOM 1374 C VAL A 87 0.414 -3.647 -4.758 1.00 0.00 C ATOM 1375 O VAL A 87 1.330 -4.469 -4.773 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.024 -3.137 -2.291 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.773 -4.200 -1.555 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.889 -1.933 -2.492 1.00 0.00 C ATOM 0 H VAL A 87 -0.600 -5.721 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.372 -2.899 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.892 -2.871 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.157 -3.786 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.128 -5.051 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.606 -4.527 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.287 -1.613 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.712 -2.207 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.322 -1.117 -2.939 1.00 0.00 H new ATOM 1388 N GLN A 88 0.236 -2.719 -5.703 1.00 0.00 N ATOM 1389 CA GLN A 88 1.037 -2.560 -6.911 1.00 0.00 C ATOM 1390 C GLN A 88 0.919 -1.111 -7.380 1.00 0.00 C ATOM 1391 O GLN A 88 0.231 -0.300 -6.762 1.00 0.00 O ATOM 1392 CB GLN A 88 0.521 -3.490 -8.016 1.00 0.00 C ATOM 1393 CG GLN A 88 0.689 -4.971 -7.663 1.00 0.00 C ATOM 1394 CD GLN A 88 0.294 -5.877 -8.822 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.368 -5.449 -9.766 1.00 0.00 O ATOM 1396 NE2 GLN A 88 0.702 -7.142 -8.756 1.00 0.00 N ATOM 0 H GLN A 88 -0.509 -2.026 -5.639 1.00 0.00 H new ATOM 0 HA GLN A 88 2.076 -2.811 -6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.533 -3.281 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.054 -3.278 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.726 -5.164 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.079 -5.208 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.250 -7.460 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.467 -7.793 -9.505 1.00 0.00 H new ATOM 1405 N MET A 89 1.592 -0.782 -8.478 1.00 0.00 N ATOM 1406 CA MET A 89 1.611 0.563 -9.026 1.00 0.00 C ATOM 1407 C MET A 89 0.293 0.872 -9.741 1.00 0.00 C ATOM 1408 O MET A 89 -0.310 -0.009 -10.354 1.00 0.00 O ATOM 1409 CB MET A 89 2.799 0.641 -9.974 1.00 0.00 C ATOM 1410 CG MET A 89 4.063 0.467 -9.128 1.00 0.00 C ATOM 1411 SD MET A 89 4.569 1.999 -8.310 1.00 0.00 S ATOM 1412 CE MET A 89 5.881 1.337 -7.258 1.00 0.00 C ATOM 0 H MET A 89 2.144 -1.451 -9.015 1.00 0.00 H new ATOM 0 HA MET A 89 1.714 1.308 -8.237 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.735 -0.136 -10.736 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.813 1.598 -10.495 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.889 -0.302 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.875 0.113 -9.763 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.400 2.158 -6.764 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.447 0.678 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.588 0.775 -7.868 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.147 2.130 -9.652 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.394 2.575 -10.266 1.00 0.00 C ATOM 1424 C ALA A 90 -1.264 2.656 -11.788 1.00 0.00 C ATOM 1425 O ALA A 90 -0.163 2.563 -12.334 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.762 3.947 -9.695 1.00 0.00 C ATOM 0 H ALA A 90 0.353 2.865 -9.152 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.178 1.852 -10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.693 4.291 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.889 3.870 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.967 4.659 -9.917 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.400 2.834 -12.472 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.446 3.013 -13.921 1.00 0.00 C ATOM 1434 C ARG A 91 -3.567 3.978 -14.317 1.00 0.00 C ATOM 1435 O ARG A 91 -3.717 4.296 -15.498 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.628 1.639 -14.586 1.00 0.00 C ATOM 1437 CG ARG A 91 -2.614 1.668 -16.119 1.00 0.00 C ATOM 1438 CD ARG A 91 -1.390 2.410 -16.659 1.00 0.00 C ATOM 1439 NE ARG A 91 -1.394 2.430 -18.126 1.00 0.00 N ATOM 1440 CZ ARG A 91 -2.138 3.263 -18.863 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -2.963 4.134 -18.289 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -2.050 3.228 -20.190 1.00 0.00 N ATOM 0 H ARG A 91 -3.318 2.857 -12.029 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.510 3.454 -14.265 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.836 0.974 -14.240 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.573 1.210 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.620 0.648 -16.502 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.522 2.150 -16.482 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.381 3.431 -16.278 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.480 1.928 -16.301 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.792 1.767 -18.615 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.036 4.174 -17.272 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.523 4.762 -18.865 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.417 2.568 -20.642 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.615 3.861 -20.755 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.351 4.448 -13.346 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.452 5.366 -13.592 1.00 0.00 C ATOM 1458 C TYR A 92 -5.357 6.560 -12.641 1.00 0.00 C ATOM 1459 O TYR A 92 -4.574 6.529 -11.692 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.795 4.647 -13.452 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.878 3.308 -14.150 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.564 3.189 -15.513 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.277 2.177 -13.425 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.640 1.938 -16.145 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.357 0.923 -14.048 1.00 0.00 C ATOM 1466 CZ TYR A 92 -7.035 0.797 -15.414 1.00 0.00 C ATOM 1467 OH TYR A 92 -7.110 -0.420 -16.023 1.00 0.00 O ATOM 0 H TYR A 92 -4.235 4.198 -12.364 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.384 5.737 -14.615 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.003 4.501 -12.392 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.579 5.294 -13.845 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.264 4.061 -16.076 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.525 2.272 -12.378 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.396 1.848 -17.193 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.665 0.056 -13.482 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.397 -1.094 -15.372 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.146 7.610 -12.888 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.061 8.848 -12.122 1.00 0.00 C ATOM 1479 C GLY A 93 -7.326 9.133 -11.320 1.00 0.00 C ATOM 1480 O GLY A 93 -8.339 8.451 -11.476 1.00 0.00 O ATOM 0 H GLY A 93 -6.856 7.622 -13.620 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.210 8.792 -11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.872 9.679 -12.802 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.255 10.152 -10.459 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.360 10.556 -9.596 1.00 0.00 C ATOM 1486 C ARG A 94 -9.543 11.059 -10.425 1.00 0.00 C ATOM 1487 O ARG A 94 -9.342 11.560 -11.531 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.873 11.627 -8.611 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.470 12.922 -9.324 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.955 13.933 -8.300 1.00 0.00 C ATOM 1491 NE ARG A 94 -6.598 15.202 -8.947 1.00 0.00 N ATOM 1492 CZ ARG A 94 -5.449 15.430 -9.591 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -4.527 14.476 -9.702 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -5.215 16.620 -10.133 1.00 0.00 N ATOM 0 H ARG A 94 -6.418 10.724 -10.343 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.707 9.692 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.661 11.841 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.022 11.243 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.698 12.716 -10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.325 13.335 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.718 14.109 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.084 13.525 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.275 15.964 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.693 13.557 -9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.655 14.665 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.912 17.361 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.338 16.793 -10.624 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.774 10.937 -9.909 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.964 11.371 -10.620 1.00 0.00 C ATOM 1510 C PRO A 95 -12.025 12.894 -10.766 1.00 0.00 C ATOM 1511 O PRO A 95 -11.932 13.605 -9.769 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.137 10.847 -9.791 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.581 10.647 -8.380 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.098 10.353 -8.619 1.00 0.00 C ATOM 0 HA PRO A 95 -11.977 10.986 -11.640 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.965 11.556 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.519 9.911 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.720 11.536 -7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.076 9.823 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.483 10.786 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.909 9.280 -8.619 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.180 13.404 -11.996 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.418 14.815 -12.253 1.00 0.00 C ATOM 1524 C PRO A 96 -13.869 15.172 -11.953 1.00 0.00 C ATOM 1525 O PRO A 96 -14.209 16.330 -11.704 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.132 14.994 -13.741 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.527 13.645 -14.333 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.145 12.654 -13.237 1.00 0.00 C ATOM 0 HA PRO A 96 -11.795 15.456 -11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.716 15.809 -14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.082 15.223 -13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.592 13.602 -14.560 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.994 13.442 -15.262 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.842 11.816 -13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.153 12.238 -13.414 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.725 14.150 -11.977 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.143 14.230 -11.670 1.00 0.00 C ATOM 1538 C ASP A 97 -16.543 12.891 -11.057 1.00 0.00 C ATOM 1539 O ASP A 97 -15.942 11.864 -11.382 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.924 14.480 -12.959 1.00 0.00 C ATOM 1541 CG ASP A 97 -16.716 15.900 -13.476 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -17.305 16.823 -12.871 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -15.974 16.051 -14.473 1.00 0.00 O ATOM 0 H ASP A 97 -14.430 13.205 -12.222 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.358 15.044 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.610 13.766 -13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.986 14.309 -12.781 1.00 0.00 H new ATOM 1548 N SER A 98 -17.544 12.881 -10.175 1.00 0.00 N ATOM 1549 CA SER A 98 -17.860 11.681 -9.415 1.00 0.00 C ATOM 1550 C SER A 98 -18.329 10.539 -10.308 1.00 0.00 C ATOM 1551 O SER A 98 -17.909 9.396 -10.128 1.00 0.00 O ATOM 1552 CB SER A 98 -18.940 11.994 -8.387 1.00 0.00 C ATOM 1553 OG SER A 98 -18.530 13.064 -7.561 1.00 0.00 O ATOM 0 H SER A 98 -18.141 13.683 -9.974 1.00 0.00 H new ATOM 0 HA SER A 98 -16.944 11.360 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.871 12.251 -8.893 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.141 11.112 -7.779 1.00 0.00 H new ATOM 0 HG SER A 98 -17.812 12.762 -6.966 1.00 0.00 H new ATOM 1559 N HIS A 99 -19.198 10.835 -11.276 1.00 0.00 N ATOM 1560 CA HIS A 99 -19.741 9.816 -12.169 1.00 0.00 C ATOM 1561 C HIS A 99 -20.412 10.457 -13.384 1.00 0.00 C ATOM 1562 O HIS A 99 -21.048 9.768 -14.178 1.00 0.00 O ATOM 1563 CB HIS A 99 -20.748 8.962 -11.391 1.00 0.00 C ATOM 1564 CG HIS A 99 -21.924 9.757 -10.879 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -21.972 10.440 -9.659 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -23.110 9.925 -11.534 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -23.192 11.001 -9.614 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -23.898 10.711 -10.725 1.00 0.00 N ATOM 0 H HIS A 99 -19.541 11.778 -11.460 1.00 0.00 H new ATOM 0 HA HIS A 99 -18.929 9.187 -12.533 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.111 8.161 -12.035 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -20.242 8.490 -10.549 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.377 9.520 -12.499 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.558 11.604 -8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -24.848 11.020 -10.930 1.00 0.00 H new ATOM 1576 N HIS A 100 -20.271 11.779 -13.526 1.00 0.00 N ATOM 1577 CA HIS A 100 -20.892 12.555 -14.589 1.00 0.00 C ATOM 1578 C HIS A 100 -20.270 12.279 -15.961 1.00 0.00 C ATOM 1579 O HIS A 100 -20.717 12.845 -16.958 1.00 0.00 O ATOM 1580 CB HIS A 100 -20.768 14.042 -14.236 1.00 0.00 C ATOM 1581 CG HIS A 100 -21.265 14.356 -12.847 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -20.543 14.167 -11.664 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -22.496 14.864 -12.543 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -21.362 14.573 -10.677 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -22.539 14.995 -11.174 1.00 0.00 N ATOM 0 H HIS A 100 -19.710 12.345 -12.889 1.00 0.00 H new ATOM 0 HA HIS A 100 -21.939 12.261 -14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.724 14.345 -14.321 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -21.331 14.631 -14.960 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -23.282 15.114 -13.241 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -21.109 14.562 -9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -23.326 15.350 -10.631 1.00 0.00 H new ATOM 1593 N SER A 101 -19.246 11.419 -16.016 1.00 0.00 N ATOM 1594 CA SER A 101 -18.546 11.072 -17.246 1.00 0.00 C ATOM 1595 C SER A 101 -17.969 9.662 -17.159 1.00 0.00 C ATOM 1596 O SER A 101 -17.652 9.109 -18.237 1.00 0.00 O ATOM 1597 CB SER A 101 -17.442 12.097 -17.502 1.00 0.00 C ATOM 1598 OG SER A 101 -16.519 12.108 -16.434 1.00 0.00 O ATOM 1599 OXT SER A 101 -17.844 9.145 -16.027 1.00 0.00 O ATOM 0 H SER A 101 -18.880 10.941 -15.193 1.00 0.00 H new ATOM 0 HA SER A 101 -19.250 11.089 -18.078 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.927 11.860 -18.433 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.879 13.088 -17.623 1.00 0.00 H new ATOM 0 HG SER A 101 -15.818 12.768 -16.614 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -13.945 -4.836 -11.776 1.00 0.00 O ATOM 1607 C5' U B 102 -12.608 -4.375 -11.824 1.00 0.00 C ATOM 1608 C4' U B 102 -12.159 -3.785 -10.480 1.00 0.00 C ATOM 1609 O4' U B 102 -12.817 -2.548 -10.251 1.00 0.00 O ATOM 1610 C3' U B 102 -12.494 -4.715 -9.317 1.00 0.00 C ATOM 1611 O3' U B 102 -11.570 -4.585 -8.252 1.00 0.00 O ATOM 1612 C2' U B 102 -13.858 -4.194 -8.876 1.00 0.00 C ATOM 1613 O2' U B 102 -14.087 -4.435 -7.501 1.00 0.00 O ATOM 1614 C1' U B 102 -13.768 -2.705 -9.209 1.00 0.00 C ATOM 1615 N1 U B 102 -15.093 -2.171 -9.602 1.00 0.00 N ATOM 1616 C2 U B 102 -15.958 -1.739 -8.602 1.00 0.00 C ATOM 1617 O2 U B 102 -15.668 -1.776 -7.408 1.00 0.00 O ATOM 1618 N3 U B 102 -17.188 -1.251 -9.014 1.00 0.00 N ATOM 1619 C4 U B 102 -17.627 -1.168 -10.321 1.00 0.00 C ATOM 1620 O4 U B 102 -18.743 -0.723 -10.579 1.00 0.00 O ATOM 1621 C5 U B 102 -16.667 -1.633 -11.300 1.00 0.00 C ATOM 1622 C6 U B 102 -15.457 -2.105 -10.921 1.00 0.00 C ATOM 0 H5' U B 102 -12.512 -3.619 -12.603 1.00 0.00 H new ATOM 0 H5'' U B 102 -11.949 -5.199 -12.097 1.00 0.00 H new ATOM 0 H4' U B 102 -11.079 -3.649 -10.533 1.00 0.00 H new ATOM 0 H3' U B 102 -12.472 -5.768 -9.599 1.00 0.00 H new ATOM 0 H2' U B 102 -14.697 -4.684 -9.369 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.239 -4.655 -7.062 1.00 0.00 H new ATOM 0 HO5' U B 102 -14.531 -4.110 -11.475 1.00 0.00 H new ATOM 0 H1' U B 102 -13.450 -2.141 -8.332 1.00 0.00 H new ATOM 0 H3 U B 102 -17.825 -0.924 -8.288 1.00 0.00 H new ATOM 0 H5 U B 102 -16.921 -1.603 -12.349 1.00 0.00 H new ATOM 0 H6 U B 102 -14.761 -2.438 -11.677 1.00 0.00 H new ATOM 1634 P G B 103 -9.995 -4.838 -8.468 1.00 0.00 P ATOM 1635 OP1 G B 103 -9.806 -5.595 -9.725 1.00 0.00 O ATOM 1636 OP2 G B 103 -9.424 -5.367 -7.205 1.00 0.00 O ATOM 1637 O5' G B 103 -9.455 -3.337 -8.688 1.00 0.00 O ATOM 1638 C5' G B 103 -9.387 -2.453 -7.589 1.00 0.00 C ATOM 1639 C4' G B 103 -8.959 -1.049 -8.018 1.00 0.00 C ATOM 1640 O4' G B 103 -7.671 -1.024 -8.587 1.00 0.00 O ATOM 1641 C3' G B 103 -9.903 -0.404 -9.037 1.00 0.00 C ATOM 1642 O3' G B 103 -10.841 0.383 -8.327 1.00 0.00 O ATOM 1643 C2' G B 103 -8.950 0.393 -9.933 1.00 0.00 C ATOM 1644 O2' G B 103 -9.267 1.766 -10.019 1.00 0.00 O ATOM 1645 C1' G B 103 -7.597 0.211 -9.263 1.00 0.00 C ATOM 1646 N9 G B 103 -6.509 0.251 -10.251 1.00 0.00 N ATOM 1647 C8 G B 103 -5.727 1.319 -10.584 1.00 0.00 C ATOM 1648 N7 G B 103 -4.796 1.040 -11.460 1.00 0.00 N ATOM 1649 C5 G B 103 -5.001 -0.313 -11.745 1.00 0.00 C ATOM 1650 C6 G B 103 -4.295 -1.194 -12.615 1.00 0.00 C ATOM 1651 O6 G B 103 -3.306 -0.966 -13.310 1.00 0.00 O ATOM 1652 N1 G B 103 -4.847 -2.464 -12.636 1.00 0.00 N ATOM 1653 C2 G B 103 -5.936 -2.854 -11.897 1.00 0.00 C ATOM 1654 N2 G B 103 -6.339 -4.115 -12.039 1.00 0.00 N ATOM 1655 N3 G B 103 -6.590 -2.049 -11.055 1.00 0.00 N ATOM 1656 C4 G B 103 -6.071 -0.793 -11.031 1.00 0.00 C ATOM 0 H5' G B 103 -8.681 -2.840 -6.854 1.00 0.00 H new ATOM 0 H5'' G B 103 -10.360 -2.404 -7.101 1.00 0.00 H new ATOM 0 H4' G B 103 -8.981 -0.483 -7.087 1.00 0.00 H new ATOM 0 H3' G B 103 -10.502 -1.085 -9.642 1.00 0.00 H new ATOM 0 H2' G B 103 -8.996 0.038 -10.963 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.122 1.876 -10.486 1.00 0.00 H new ATOM 0 H1' G B 103 -7.374 1.017 -8.563 1.00 0.00 H new ATOM 0 H8 G B 103 -5.864 2.304 -10.163 1.00 0.00 H new ATOM 0 H1 G B 103 -4.413 -3.159 -13.244 1.00 0.00 H new ATOM 0 H21 G B 103 -7.144 -4.456 -11.513 1.00 0.00 H new ATOM 0 H22 G B 103 -5.843 -4.740 -12.674 1.00 0.00 H new ATOM 1668 P G B 104 -12.115 1.068 -9.038 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.311 0.236 -8.778 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.770 1.450 -10.429 1.00 0.00 O ATOM 1671 O5' G B 104 -12.241 2.404 -8.159 1.00 0.00 O ATOM 1672 C5' G B 104 -11.216 3.376 -8.194 1.00 0.00 C ATOM 1673 C4' G B 104 -11.508 4.458 -7.159 1.00 0.00 C ATOM 1674 O4' G B 104 -10.384 4.722 -6.343 1.00 0.00 O ATOM 1675 C3' G B 104 -11.911 5.766 -7.807 1.00 0.00 C ATOM 1676 O3' G B 104 -13.274 5.733 -8.187 1.00 0.00 O ATOM 1677 C2' G B 104 -11.600 6.748 -6.680 1.00 0.00 C ATOM 1678 O2' G B 104 -12.655 6.793 -5.744 1.00 0.00 O ATOM 1679 C1' G B 104 -10.378 6.105 -6.034 1.00 0.00 C ATOM 1680 N9 G B 104 -9.187 6.795 -6.561 1.00 0.00 N ATOM 1681 C8 G B 104 -8.625 7.954 -6.090 1.00 0.00 C ATOM 1682 N7 G B 104 -7.615 8.376 -6.800 1.00 0.00 N ATOM 1683 C5 G B 104 -7.467 7.395 -7.780 1.00 0.00 C ATOM 1684 C6 G B 104 -6.490 7.267 -8.812 1.00 0.00 C ATOM 1685 O6 G B 104 -5.586 8.048 -9.109 1.00 0.00 O ATOM 1686 N1 G B 104 -6.636 6.092 -9.530 1.00 0.00 N ATOM 1687 C2 G B 104 -7.635 5.173 -9.320 1.00 0.00 C ATOM 1688 N2 G B 104 -7.644 4.099 -10.100 1.00 0.00 N ATOM 1689 N3 G B 104 -8.577 5.296 -8.386 1.00 0.00 N ATOM 1690 C4 G B 104 -8.420 6.416 -7.636 1.00 0.00 C ATOM 0 H5' G B 104 -11.152 3.817 -9.189 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.252 2.911 -7.988 1.00 0.00 H new ATOM 0 H4' G B 104 -12.329 4.069 -6.556 1.00 0.00 H new ATOM 0 H3' G B 104 -11.400 6.019 -8.736 1.00 0.00 H new ATOM 0 H2' G B 104 -11.452 7.771 -7.026 1.00 0.00 H new ATOM 0 HO2' G B 104 -12.457 7.467 -5.061 1.00 0.00 H new ATOM 0 H1' G B 104 -10.380 6.198 -4.948 1.00 0.00 H new ATOM 0 H8 G B 104 -8.985 8.470 -5.212 1.00 0.00 H new ATOM 0 H1 G B 104 -5.956 5.896 -10.264 1.00 0.00 H new ATOM 0 H21 G B 104 -8.366 3.389 -9.982 1.00 0.00 H new ATOM 0 H22 G B 104 -6.928 3.984 -10.818 1.00 0.00 H new ATOM 1702 P A B 105 -13.926 6.917 -9.042 1.00 0.00 P ATOM 1703 OP1 A B 105 -15.062 6.347 -9.801 1.00 0.00 O ATOM 1704 OP2 A B 105 -12.840 7.612 -9.765 1.00 0.00 O ATOM 1705 O5' A B 105 -14.528 7.910 -7.921 1.00 0.00 O ATOM 1706 C5' A B 105 -15.498 8.870 -8.286 1.00 0.00 C ATOM 1707 C4' A B 105 -15.948 9.769 -7.127 1.00 0.00 C ATOM 1708 O4' A B 105 -17.363 9.777 -7.094 1.00 0.00 O ATOM 1709 C3' A B 105 -15.540 9.291 -5.730 1.00 0.00 C ATOM 1710 O3' A B 105 -15.460 10.374 -4.808 1.00 0.00 O ATOM 1711 C2' A B 105 -16.649 8.297 -5.386 1.00 0.00 C ATOM 1712 O2' A B 105 -17.012 8.368 -4.025 1.00 0.00 O ATOM 1713 C1' A B 105 -17.814 8.697 -6.296 1.00 0.00 C ATOM 1714 N9 A B 105 -18.286 7.565 -7.125 1.00 0.00 N ATOM 1715 C8 A B 105 -17.526 6.569 -7.651 1.00 0.00 C ATOM 1716 N7 A B 105 -18.185 5.667 -8.329 1.00 0.00 N ATOM 1717 C5 A B 105 -19.499 6.120 -8.259 1.00 0.00 C ATOM 1718 C6 A B 105 -20.711 5.628 -8.779 1.00 0.00 C ATOM 1719 N6 A B 105 -20.815 4.516 -9.511 1.00 0.00 N ATOM 1720 N1 A B 105 -21.835 6.316 -8.534 1.00 0.00 N ATOM 1721 C2 A B 105 -21.759 7.416 -7.804 1.00 0.00 C ATOM 1722 N3 A B 105 -20.697 7.981 -7.254 1.00 0.00 N ATOM 1723 C4 A B 105 -19.574 7.275 -7.525 1.00 0.00 C ATOM 0 H5' A B 105 -16.368 8.356 -8.694 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.095 9.495 -9.083 1.00 0.00 H new ATOM 0 H4' A B 105 -15.474 10.731 -7.321 1.00 0.00 H new ATOM 0 H3' A B 105 -14.547 8.843 -5.688 1.00 0.00 H new ATOM 0 H2' A B 105 -16.335 7.265 -5.542 1.00 0.00 H new ATOM 0 HO2' A B 105 -17.585 9.150 -3.880 1.00 0.00 H new ATOM 0 H1' A B 105 -18.675 8.995 -5.697 1.00 0.00 H new ATOM 0 H8 A B 105 -16.455 6.526 -7.518 1.00 0.00 H new ATOM 0 H61 A B 105 -21.727 4.216 -9.857 1.00 0.00 H new ATOM 0 H62 A B 105 -19.983 3.966 -9.724 1.00 0.00 H new ATOM 0 H2 A B 105 -22.696 7.925 -7.633 1.00 0.00 H new ATOM 1735 P G B 106 -16.601 11.506 -4.651 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.891 10.853 -4.352 1.00 0.00 O ATOM 1737 OP2 G B 106 -16.495 12.448 -5.787 1.00 0.00 O ATOM 1738 O5' G B 106 -16.150 12.287 -3.318 1.00 0.00 O ATOM 1739 C5' G B 106 -16.524 11.796 -2.046 1.00 0.00 C ATOM 1740 C4' G B 106 -15.973 12.644 -0.894 1.00 0.00 C ATOM 1741 O4' G B 106 -14.584 12.417 -0.722 1.00 0.00 O ATOM 1742 C3' G B 106 -16.134 14.148 -1.095 1.00 0.00 C ATOM 1743 O3' G B 106 -16.071 14.797 0.166 1.00 0.00 O ATOM 1744 C2' G B 106 -14.900 14.455 -1.922 1.00 0.00 C ATOM 1745 O2' G B 106 -14.496 15.800 -1.795 1.00 0.00 O ATOM 1746 C1' G B 106 -13.876 13.456 -1.380 1.00 0.00 C ATOM 1747 N9 G B 106 -13.013 12.918 -2.444 1.00 0.00 N ATOM 1748 C8 G B 106 -13.157 12.988 -3.802 1.00 0.00 C ATOM 1749 N7 G B 106 -12.176 12.439 -4.466 1.00 0.00 N ATOM 1750 C5 G B 106 -11.330 11.947 -3.469 1.00 0.00 C ATOM 1751 C6 G B 106 -10.101 11.225 -3.560 1.00 0.00 C ATOM 1752 O6 G B 106 -9.481 10.894 -4.570 1.00 0.00 O ATOM 1753 N1 G B 106 -9.601 10.887 -2.310 1.00 0.00 N ATOM 1754 C2 G B 106 -10.184 11.233 -1.113 1.00 0.00 C ATOM 1755 N2 G B 106 -9.561 10.844 -0.009 1.00 0.00 N ATOM 1756 N3 G B 106 -11.319 11.931 -1.014 1.00 0.00 N ATOM 1757 C4 G B 106 -11.844 12.236 -2.229 1.00 0.00 C ATOM 0 H5' G B 106 -16.168 10.771 -1.939 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.612 11.765 -1.980 1.00 0.00 H new ATOM 0 H4' G B 106 -16.558 12.334 -0.028 1.00 0.00 H new ATOM 0 H3' G B 106 -17.070 14.465 -1.556 1.00 0.00 H new ATOM 0 H2' G B 106 -15.054 14.348 -2.996 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.541 15.876 -2.002 1.00 0.00 H new ATOM 0 H1' G B 106 -13.212 13.963 -0.680 1.00 0.00 H new ATOM 0 H8 G B 106 -14.005 13.455 -4.281 1.00 0.00 H new ATOM 0 H1 G B 106 -8.739 10.343 -2.277 1.00 0.00 H new ATOM 0 H21 G B 106 -9.951 11.075 0.905 1.00 0.00 H new ATOM 0 H22 G B 106 -8.692 10.314 -0.074 1.00 0.00 H new ATOM 1769 P U B 107 -17.309 14.805 1.196 1.00 0.00 P ATOM 1770 OP1 U B 107 -16.755 14.711 2.567 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.301 13.802 0.740 1.00 0.00 O ATOM 1772 O5' U B 107 -17.977 16.262 1.024 1.00 0.00 O ATOM 1773 C5' U B 107 -17.363 17.432 1.545 1.00 0.00 C ATOM 1774 C4' U B 107 -16.014 17.667 0.867 1.00 0.00 C ATOM 1775 O4' U B 107 -16.218 17.703 -0.535 1.00 0.00 O ATOM 1776 C3' U B 107 -15.350 18.998 1.253 1.00 0.00 C ATOM 1777 O3' U B 107 -14.037 18.769 1.724 1.00 0.00 O ATOM 1778 C2' U B 107 -15.312 19.752 -0.070 1.00 0.00 C ATOM 1779 O2' U B 107 -14.220 20.646 -0.176 1.00 0.00 O ATOM 1780 C1' U B 107 -15.262 18.594 -1.057 1.00 0.00 C ATOM 1781 N1 U B 107 -15.572 18.951 -2.462 1.00 0.00 N ATOM 1782 C2 U B 107 -16.760 19.611 -2.763 1.00 0.00 C ATOM 1783 O2 U B 107 -17.625 19.883 -1.927 1.00 0.00 O ATOM 1784 N3 U B 107 -16.939 19.960 -4.095 1.00 0.00 N ATOM 1785 C4 U B 107 -16.062 19.695 -5.130 1.00 0.00 C ATOM 1786 O4 U B 107 -16.313 20.067 -6.273 1.00 0.00 O ATOM 1787 C5 U B 107 -14.881 18.969 -4.732 1.00 0.00 C ATOM 1788 C6 U B 107 -14.674 18.623 -3.440 1.00 0.00 C ATOM 0 H5' U B 107 -17.224 17.330 2.621 1.00 0.00 H new ATOM 0 H5'' U B 107 -18.012 18.293 1.387 1.00 0.00 H new ATOM 0 H4' U B 107 -15.361 16.857 1.190 1.00 0.00 H new ATOM 0 H3' U B 107 -15.875 19.534 2.044 1.00 0.00 H new ATOM 0 H2' U B 107 -16.154 20.426 -0.227 1.00 0.00 H new ATOM 0 HO2' U B 107 -14.250 21.097 -1.045 1.00 0.00 H new ATOM 0 HO3' U B 107 -13.740 19.539 2.252 1.00 0.00 H new ATOM 0 H1' U B 107 -14.252 18.190 -1.135 1.00 0.00 H new ATOM 0 H3 U B 107 -17.797 20.458 -4.332 1.00 0.00 H new ATOM 0 H5 U B 107 -14.149 18.697 -5.478 1.00 0.00 H new ATOM 0 H6 U B 107 -13.781 18.076 -3.176 1.00 0.00 H new TER 1800 U B 107