USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -123:sc= 1.32 (180deg=-0.297) USER MOD Single : A 5 THR OG1 : rot 104:sc= 0.875 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 2.11 (180deg=2.06) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 1.09 (180deg=1.07) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.04 K(o=1,f=-2.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0577 K(o=0.058,f=-1.9!) USER MOD Single : A 57 GLN : amide:sc= 1.15 K(o=1.1,f=-0.29) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.18 (180deg=0.829) USER MOD Single : A 70 GLN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= 0.812 (180deg=-1.06!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 0.297 (180deg=0.107) USER MOD Single : A 78 ASN : amide:sc= 1.28 K(o=1.3,f=-5.5!) USER MOD Single : A 82 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0067) USER MOD Single : A 84 THR OG1 : rot 169:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.145) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 1.141 14.767 4.388 1.00 0.00 N ATOM 36 CA LYS A 1 0.158 13.816 3.797 1.00 0.00 C ATOM 37 C LYS A 1 0.321 12.444 4.518 1.00 0.00 C ATOM 38 O LYS A 1 1.389 11.825 4.484 1.00 0.00 O ATOM 39 CB LYS A 1 0.321 13.741 2.252 1.00 0.00 C ATOM 40 CG LYS A 1 -0.762 12.924 1.502 1.00 0.00 C ATOM 41 CD LYS A 1 -0.895 13.366 0.024 1.00 0.00 C ATOM 42 CE LYS A 1 -1.911 12.591 -0.838 1.00 0.00 C ATOM 43 NZ LYS A 1 -3.316 12.774 -0.375 1.00 0.00 N ATOM 0 H1 LYS A 1 1.052 15.693 3.922 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.954 14.872 5.406 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.105 14.401 4.249 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.865 14.158 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.324 14.756 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 1 1.296 13.309 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.511 11.864 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.721 13.044 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.168 14.421 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.085 13.283 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.828 12.920 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.662 11.530 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.736 11.846 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.325 13.360 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.869 13.244 -1.120 1.00 0.00 H new ATOM 57 N VAL A 2 -0.743 11.982 5.190 1.00 0.00 N ATOM 58 CA VAL A 2 -0.694 10.803 6.102 1.00 0.00 C ATOM 59 C VAL A 2 -0.837 9.498 5.257 1.00 0.00 C ATOM 60 O VAL A 2 -1.920 9.225 4.730 1.00 0.00 O ATOM 61 CB VAL A 2 -1.819 10.938 7.196 1.00 0.00 C ATOM 62 CG1 VAL A 2 -1.848 9.748 8.188 1.00 0.00 C ATOM 63 CG2 VAL A 2 -1.754 12.230 8.051 1.00 0.00 C ATOM 0 H VAL A 2 -1.668 12.407 5.125 1.00 0.00 H new ATOM 0 HA VAL A 2 0.262 10.757 6.624 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.723 10.963 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.644 9.901 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.029 8.823 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.891 9.682 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.570 12.229 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.801 12.270 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.846 13.101 7.402 1.00 0.00 H new ATOM 73 N ASP A 3 0.223 8.671 5.166 1.00 0.00 N ATOM 74 CA ASP A 3 0.114 7.295 4.606 1.00 0.00 C ATOM 75 C ASP A 3 -0.562 6.335 5.637 1.00 0.00 C ATOM 76 O ASP A 3 -0.030 6.132 6.731 1.00 0.00 O ATOM 77 CB ASP A 3 1.526 6.808 4.185 1.00 0.00 C ATOM 78 CG ASP A 3 1.530 5.490 3.409 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.492 4.412 4.040 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.542 5.526 2.163 1.00 0.00 O ATOM 0 H ASP A 3 1.163 8.923 5.470 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.523 7.300 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.996 7.578 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.139 6.692 5.079 1.00 0.00 H new ATOM 85 N ILE A 4 -1.709 5.739 5.274 1.00 0.00 N ATOM 86 CA ILE A 4 -2.303 4.596 6.024 1.00 0.00 C ATOM 87 C ILE A 4 -2.164 3.342 5.091 1.00 0.00 C ATOM 88 O ILE A 4 -3.091 3.000 4.346 1.00 0.00 O ATOM 89 CB ILE A 4 -3.781 4.873 6.511 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.057 6.244 7.209 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.252 3.749 7.468 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.460 7.375 6.248 1.00 0.00 C ATOM 0 H ILE A 4 -2.255 6.025 4.461 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.772 4.426 6.961 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.342 4.902 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.849 6.110 7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.163 6.547 7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.271 3.953 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.223 2.792 6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.593 3.710 8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.633 8.290 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.661 7.541 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.373 7.097 5.721 1.00 0.00 H new ATOM 104 N THR A 5 -1.007 2.648 5.123 1.00 0.00 N ATOM 105 CA THR A 5 -0.768 1.444 4.273 1.00 0.00 C ATOM 106 C THR A 5 -1.344 0.172 4.975 1.00 0.00 C ATOM 107 O THR A 5 -0.874 -0.245 6.038 1.00 0.00 O ATOM 108 CB THR A 5 0.736 1.339 3.862 1.00 0.00 C ATOM 109 OG1 THR A 5 1.049 2.375 2.933 1.00 0.00 O ATOM 110 CG2 THR A 5 1.126 0.044 3.123 1.00 0.00 C ATOM 0 H THR A 5 -0.220 2.893 5.724 1.00 0.00 H new ATOM 0 HA THR A 5 -1.309 1.537 3.331 1.00 0.00 H new ATOM 0 HB THR A 5 1.271 1.390 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.554 3.081 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.189 0.069 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.918 -0.815 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.547 -0.038 2.203 1.00 0.00 H new ATOM 118 N ILE A 6 -2.360 -0.442 4.344 1.00 0.00 N ATOM 119 CA ILE A 6 -2.993 -1.702 4.830 1.00 0.00 C ATOM 120 C ILE A 6 -2.395 -2.870 3.981 1.00 0.00 C ATOM 121 O ILE A 6 -2.685 -2.970 2.784 1.00 0.00 O ATOM 122 CB ILE A 6 -4.566 -1.665 4.717 1.00 0.00 C ATOM 123 CG1 ILE A 6 -5.281 -0.356 5.168 1.00 0.00 C ATOM 124 CG2 ILE A 6 -5.242 -2.899 5.374 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.150 0.046 6.642 1.00 0.00 C ATOM 0 H ILE A 6 -2.773 -0.087 3.482 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.779 -1.838 5.890 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.708 -1.695 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.899 0.464 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.342 -0.455 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.324 -2.821 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.893 -3.808 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.984 -2.935 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.695 0.974 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.564 -0.741 7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.098 0.192 6.887 1.00 0.00 H new ATOM 137 N LYS A 7 -1.596 -3.765 4.589 1.00 0.00 N ATOM 138 CA LYS A 7 -1.152 -5.016 3.917 1.00 0.00 C ATOM 139 C LYS A 7 -1.877 -6.248 4.548 1.00 0.00 C ATOM 140 O LYS A 7 -1.604 -6.620 5.695 1.00 0.00 O ATOM 141 CB LYS A 7 0.399 -5.065 3.900 1.00 0.00 C ATOM 142 CG LYS A 7 0.976 -6.280 3.135 1.00 0.00 C ATOM 143 CD LYS A 7 2.513 -6.443 3.223 1.00 0.00 C ATOM 144 CE LYS A 7 3.315 -5.550 2.253 1.00 0.00 C ATOM 145 NZ LYS A 7 3.271 -6.167 0.900 1.00 0.00 N ATOM 0 H LYS A 7 -1.242 -3.653 5.539 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.446 -5.042 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.777 -4.149 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.764 -5.087 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.508 -7.187 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.695 -6.195 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.830 -6.224 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.766 -7.485 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.893 -4.546 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.346 -5.453 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.836 -5.596 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.661 -7.130 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.286 -6.207 0.569 1.00 0.00 H new ATOM 159 N ILE A 8 -2.780 -6.897 3.783 1.00 0.00 N ATOM 160 CA ILE A 8 -3.492 -8.138 4.230 1.00 0.00 C ATOM 161 C ILE A 8 -2.612 -9.362 3.799 1.00 0.00 C ATOM 162 O ILE A 8 -2.564 -9.729 2.620 1.00 0.00 O ATOM 163 CB ILE A 8 -4.971 -8.241 3.697 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.845 -6.967 3.913 1.00 0.00 C ATOM 165 CG2 ILE A 8 -5.703 -9.472 4.301 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.155 -6.927 3.101 1.00 0.00 C ATOM 0 H ILE A 8 -3.042 -6.589 2.847 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.608 -8.116 5.314 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.856 -8.353 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.090 -6.889 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.250 -6.090 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.721 -9.516 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.171 -10.383 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.731 -9.382 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.691 -6.003 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.925 -6.969 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.777 -7.780 3.372 1.00 0.00 H new ATOM 178 N GLN A 9 -1.907 -9.978 4.758 1.00 0.00 N ATOM 179 CA GLN A 9 -0.888 -11.024 4.475 1.00 0.00 C ATOM 180 C GLN A 9 -1.500 -12.455 4.607 1.00 0.00 C ATOM 181 O GLN A 9 -1.487 -13.066 5.680 1.00 0.00 O ATOM 182 CB GLN A 9 0.300 -10.695 5.419 1.00 0.00 C ATOM 183 CG GLN A 9 1.586 -11.526 5.186 1.00 0.00 C ATOM 184 CD GLN A 9 2.779 -11.043 6.019 1.00 0.00 C ATOM 185 OE1 GLN A 9 3.619 -10.278 5.562 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.879 -11.442 7.265 1.00 0.00 N ATOM 0 H GLN A 9 -2.019 -9.773 5.751 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.525 -11.023 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.546 -9.639 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.025 -10.842 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.384 -12.570 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.850 -11.486 4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.184 -12.079 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.652 -11.115 7.845 1.00 0.00 H new ATOM 195 N ARG A 10 -2.047 -13.002 3.506 1.00 0.00 N ATOM 196 CA ARG A 10 -2.739 -14.327 3.517 1.00 0.00 C ATOM 197 C ARG A 10 -1.757 -15.485 3.146 1.00 0.00 C ATOM 198 O ARG A 10 -1.790 -16.027 2.037 1.00 0.00 O ATOM 199 CB ARG A 10 -3.994 -14.248 2.597 1.00 0.00 C ATOM 200 CG ARG A 10 -5.118 -13.275 3.061 1.00 0.00 C ATOM 201 CD ARG A 10 -6.473 -13.922 3.411 1.00 0.00 C ATOM 202 NE ARG A 10 -7.218 -14.317 2.181 1.00 0.00 N ATOM 203 CZ ARG A 10 -8.547 -14.396 2.077 1.00 0.00 C ATOM 204 NH1 ARG A 10 -9.368 -14.223 3.080 1.00 0.00 N ATOM 205 NH2 ARG A 10 -9.068 -14.658 0.914 1.00 0.00 N ATOM 0 H ARG A 10 -2.029 -12.554 2.590 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.083 -14.563 4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.671 -13.950 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.419 -15.248 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.761 -12.731 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.282 -12.540 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.309 -14.799 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.073 -13.223 3.993 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.668 -14.545 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.002 -14.014 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.375 -14.297 2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.464 -14.799 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.081 -14.723 0.812 1.00 0.00 H new ATOM 219 N ASP A 11 -0.873 -15.835 4.104 1.00 0.00 N ATOM 220 CA ASP A 11 0.111 -16.963 3.990 1.00 0.00 C ATOM 221 C ASP A 11 1.015 -16.920 2.702 1.00 0.00 C ATOM 222 O ASP A 11 0.989 -17.827 1.863 1.00 0.00 O ATOM 223 CB ASP A 11 -0.573 -18.340 4.255 1.00 0.00 C ATOM 224 CG ASP A 11 -1.282 -18.496 5.602 1.00 0.00 C ATOM 225 OD1 ASP A 11 -2.453 -18.079 5.714 1.00 0.00 O ATOM 226 OD2 ASP A 11 -0.683 -18.983 6.584 1.00 0.00 O ATOM 0 H ASP A 11 -0.812 -15.343 4.995 1.00 0.00 H new ATOM 0 HA ASP A 11 0.837 -16.818 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.300 -18.519 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.185 -19.120 4.175 1.00 0.00 H new ATOM 231 N GLY A 12 1.773 -15.821 2.519 1.00 0.00 N ATOM 232 CA GLY A 12 2.403 -15.498 1.206 1.00 0.00 C ATOM 233 C GLY A 12 1.653 -14.485 0.306 1.00 0.00 C ATOM 234 O GLY A 12 2.287 -13.563 -0.209 1.00 0.00 O ATOM 0 H GLY A 12 1.968 -15.141 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.404 -15.110 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.522 -16.427 0.648 1.00 0.00 H new ATOM 238 N GLN A 13 0.335 -14.652 0.078 1.00 0.00 N ATOM 239 CA GLN A 13 -0.455 -13.751 -0.815 1.00 0.00 C ATOM 240 C GLN A 13 -0.754 -12.375 -0.119 1.00 0.00 C ATOM 241 O GLN A 13 -1.632 -12.267 0.744 1.00 0.00 O ATOM 242 CB GLN A 13 -1.719 -14.538 -1.283 1.00 0.00 C ATOM 243 CG GLN A 13 -2.361 -14.095 -2.626 1.00 0.00 C ATOM 244 CD GLN A 13 -3.176 -12.797 -2.629 1.00 0.00 C ATOM 245 OE1 GLN A 13 -2.664 -11.703 -2.835 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.476 -12.874 -2.463 1.00 0.00 N ATOM 0 H GLN A 13 -0.215 -15.402 0.497 1.00 0.00 H new ATOM 0 HA GLN A 13 0.111 -13.474 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.452 -15.592 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.476 -14.461 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.563 -13.993 -3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.010 -14.900 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.915 -13.778 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.047 -12.030 -2.506 1.00 0.00 H new ATOM 255 N GLU A 14 0.041 -11.343 -0.462 1.00 0.00 N ATOM 256 CA GLU A 14 0.149 -10.089 0.333 1.00 0.00 C ATOM 257 C GLU A 14 -0.535 -8.875 -0.372 1.00 0.00 C ATOM 258 O GLU A 14 0.050 -8.208 -1.231 1.00 0.00 O ATOM 259 CB GLU A 14 1.640 -9.851 0.734 1.00 0.00 C ATOM 260 CG GLU A 14 2.712 -9.711 -0.389 1.00 0.00 C ATOM 261 CD GLU A 14 4.143 -9.404 0.038 1.00 0.00 C ATOM 262 OE1 GLU A 14 4.364 -8.477 0.844 1.00 0.00 O ATOM 263 OE2 GLU A 14 5.069 -10.060 -0.476 1.00 0.00 O ATOM 0 H GLU A 14 0.629 -11.348 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.415 -10.200 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.677 -8.945 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.943 -10.677 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.723 -10.639 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.387 -8.922 -1.068 1.00 0.00 H new ATOM 270 N ILE A 15 -1.781 -8.557 0.023 1.00 0.00 N ATOM 271 CA ILE A 15 -2.573 -7.458 -0.605 1.00 0.00 C ATOM 272 C ILE A 15 -2.169 -6.095 0.059 1.00 0.00 C ATOM 273 O ILE A 15 -2.764 -5.699 1.066 1.00 0.00 O ATOM 274 CB ILE A 15 -4.124 -7.738 -0.537 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.623 -9.127 -1.057 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.904 -6.630 -1.292 1.00 0.00 C ATOM 277 CD1 ILE A 15 -4.700 -10.222 0.024 1.00 0.00 C ATOM 0 H ILE A 15 -2.271 -9.041 0.775 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.339 -7.404 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.325 -7.743 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.611 -9.002 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.957 -9.464 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.973 -6.836 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.697 -5.663 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.591 -6.612 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.055 -11.151 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.710 -10.381 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.389 -9.911 0.809 1.00 0.00 H new ATOM 289 N GLU A 16 -1.183 -5.379 -0.515 1.00 0.00 N ATOM 290 CA GLU A 16 -0.803 -4.007 -0.070 1.00 0.00 C ATOM 291 C GLU A 16 -1.637 -2.888 -0.762 1.00 0.00 C ATOM 292 O GLU A 16 -1.671 -2.785 -1.993 1.00 0.00 O ATOM 293 CB GLU A 16 0.723 -3.764 -0.203 1.00 0.00 C ATOM 294 CG GLU A 16 1.390 -3.955 -1.594 1.00 0.00 C ATOM 295 CD GLU A 16 2.878 -3.640 -1.615 1.00 0.00 C ATOM 296 OE1 GLU A 16 3.651 -4.343 -0.926 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.285 -2.702 -2.328 1.00 0.00 O ATOM 0 H GLU A 16 -0.625 -5.725 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.051 -3.950 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.925 -2.744 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.226 -4.429 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.243 -4.985 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.884 -3.317 -2.319 1.00 0.00 H new ATOM 304 N ILE A 17 -2.289 -2.036 0.048 1.00 0.00 N ATOM 305 CA ILE A 17 -3.039 -0.843 -0.464 1.00 0.00 C ATOM 306 C ILE A 17 -2.644 0.441 0.347 1.00 0.00 C ATOM 307 O ILE A 17 -2.784 0.500 1.574 1.00 0.00 O ATOM 308 CB ILE A 17 -4.593 -1.066 -0.565 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.274 -1.476 0.773 1.00 0.00 C ATOM 310 CG2 ILE A 17 -4.964 -2.040 -1.717 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.810 -1.413 0.796 1.00 0.00 C ATOM 0 H ILE A 17 -2.320 -2.139 1.062 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.732 -0.688 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.001 -0.084 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.968 -2.494 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.892 -0.831 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.046 -2.167 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.615 -1.631 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.491 -3.007 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.172 -1.720 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.135 -0.393 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.213 -2.081 0.035 1.00 0.00 H new ATOM 323 N ASP A 18 -2.157 1.476 -0.360 1.00 0.00 N ATOM 324 CA ASP A 18 -1.583 2.708 0.248 1.00 0.00 C ATOM 325 C ASP A 18 -2.614 3.890 0.309 1.00 0.00 C ATOM 326 O ASP A 18 -2.757 4.682 -0.629 1.00 0.00 O ATOM 327 CB ASP A 18 -0.247 3.010 -0.490 1.00 0.00 C ATOM 328 CG ASP A 18 -0.277 3.338 -1.993 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.766 2.507 -2.789 1.00 0.00 O ATOM 330 OD2 ASP A 18 0.210 4.422 -2.380 1.00 0.00 O ATOM 0 H ASP A 18 -2.147 1.489 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.353 2.558 1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.227 3.849 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.404 2.147 -0.356 1.00 0.00 H new ATOM 335 N ILE A 19 -3.350 4.023 1.432 1.00 0.00 N ATOM 336 CA ILE A 19 -4.446 5.038 1.567 1.00 0.00 C ATOM 337 C ILE A 19 -3.825 6.377 2.094 1.00 0.00 C ATOM 338 O ILE A 19 -3.648 6.565 3.298 1.00 0.00 O ATOM 339 CB ILE A 19 -5.641 4.458 2.418 1.00 0.00 C ATOM 340 CG1 ILE A 19 -6.320 3.225 1.738 1.00 0.00 C ATOM 341 CG2 ILE A 19 -6.727 5.525 2.729 1.00 0.00 C ATOM 342 CD1 ILE A 19 -7.187 2.352 2.662 1.00 0.00 C ATOM 0 H ILE A 19 -3.215 3.447 2.263 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.899 5.271 0.603 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.186 4.137 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.941 3.582 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.542 2.599 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.525 5.071 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.281 6.344 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.137 5.909 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.610 1.526 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.573 1.957 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.993 2.954 3.080 1.00 0.00 H new ATOM 354 N ARG A 20 -3.476 7.301 1.180 1.00 0.00 N ATOM 355 CA ARG A 20 -2.656 8.502 1.521 1.00 0.00 C ATOM 356 C ARG A 20 -3.539 9.793 1.608 1.00 0.00 C ATOM 357 O ARG A 20 -4.018 10.308 0.593 1.00 0.00 O ATOM 358 CB ARG A 20 -1.487 8.580 0.497 1.00 0.00 C ATOM 359 CG ARG A 20 -0.401 7.479 0.686 1.00 0.00 C ATOM 360 CD ARG A 20 0.216 6.904 -0.596 1.00 0.00 C ATOM 361 NE ARG A 20 1.171 7.835 -1.251 1.00 0.00 N ATOM 362 CZ ARG A 20 1.902 7.531 -2.325 1.00 0.00 C ATOM 363 NH1 ARG A 20 1.793 6.415 -3.007 1.00 0.00 N ATOM 364 NH2 ARG A 20 2.787 8.396 -2.723 1.00 0.00 N ATOM 0 H ARG A 20 -3.744 7.248 0.197 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.223 8.418 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.895 8.503 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.014 9.559 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.402 7.892 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.841 6.658 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.730 5.973 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.581 6.658 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 20 1.275 8.768 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.113 5.709 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.388 6.254 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.905 9.274 -2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.363 8.196 -3.540 1.00 0.00 H new ATOM 378 N VAL A 21 -3.752 10.321 2.829 1.00 0.00 N ATOM 379 CA VAL A 21 -4.854 11.295 3.138 1.00 0.00 C ATOM 380 C VAL A 21 -4.261 12.703 3.495 1.00 0.00 C ATOM 381 O VAL A 21 -3.294 12.817 4.257 1.00 0.00 O ATOM 382 CB VAL A 21 -5.749 10.687 4.283 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.805 11.651 4.877 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.524 9.427 3.820 1.00 0.00 C ATOM 0 H VAL A 21 -3.174 10.094 3.638 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.487 11.454 2.265 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.013 10.452 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.368 11.138 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.305 12.521 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.486 11.974 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.126 9.046 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.175 9.687 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.817 8.661 3.503 1.00 0.00 H new ATOM 394 N SER A 22 -4.865 13.792 2.974 1.00 0.00 N ATOM 395 CA SER A 22 -4.499 15.186 3.384 1.00 0.00 C ATOM 396 C SER A 22 -5.738 16.127 3.443 1.00 0.00 C ATOM 397 O SER A 22 -6.003 16.874 2.494 1.00 0.00 O ATOM 398 CB SER A 22 -3.387 15.719 2.444 1.00 0.00 C ATOM 399 OG SER A 22 -3.101 17.093 2.706 1.00 0.00 O ATOM 0 H SER A 22 -5.604 13.745 2.273 1.00 0.00 H new ATOM 0 HA SER A 22 -4.109 15.164 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.482 15.126 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.698 15.602 1.406 1.00 0.00 H new ATOM 0 HG SER A 22 -2.395 17.402 2.100 1.00 0.00 H new ATOM 405 N THR A 23 -6.488 16.110 4.563 1.00 0.00 N ATOM 406 CA THR A 23 -7.807 16.818 4.655 1.00 0.00 C ATOM 407 C THR A 23 -8.328 16.975 6.121 1.00 0.00 C ATOM 408 O THR A 23 -8.368 18.098 6.628 1.00 0.00 O ATOM 409 CB THR A 23 -8.873 16.268 3.638 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.162 16.836 3.868 1.00 0.00 O ATOM 411 CG2 THR A 23 -9.049 14.744 3.595 1.00 0.00 C ATOM 0 H THR A 23 -6.217 15.622 5.417 1.00 0.00 H new ATOM 0 HA THR A 23 -7.620 17.841 4.329 1.00 0.00 H new ATOM 0 HB THR A 23 -8.454 16.570 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.800 16.474 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.809 14.486 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.104 14.276 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.359 14.386 4.577 1.00 0.00 H new ATOM 419 N GLY A 24 -8.790 15.895 6.775 1.00 0.00 N ATOM 420 CA GLY A 24 -9.603 16.004 8.020 1.00 0.00 C ATOM 421 C GLY A 24 -10.623 14.863 8.205 1.00 0.00 C ATOM 422 O GLY A 24 -10.514 14.092 9.160 1.00 0.00 O ATOM 0 H GLY A 24 -8.620 14.936 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.932 16.021 8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.135 16.955 8.012 1.00 0.00 H new ATOM 426 N LYS A 25 -11.600 14.742 7.285 1.00 0.00 N ATOM 427 CA LYS A 25 -12.429 13.504 7.161 1.00 0.00 C ATOM 428 C LYS A 25 -11.698 12.464 6.235 1.00 0.00 C ATOM 429 O LYS A 25 -10.527 12.175 6.504 1.00 0.00 O ATOM 430 CB LYS A 25 -13.890 13.918 6.795 1.00 0.00 C ATOM 431 CG LYS A 25 -14.715 14.621 7.905 1.00 0.00 C ATOM 432 CD LYS A 25 -15.142 13.678 9.053 1.00 0.00 C ATOM 433 CE LYS A 25 -16.065 14.357 10.081 1.00 0.00 C ATOM 434 NZ LYS A 25 -16.448 13.351 11.105 1.00 0.00 N ATOM 0 H LYS A 25 -11.841 15.474 6.617 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.535 12.957 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.849 14.581 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.430 13.023 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.127 15.440 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.606 15.062 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.652 12.811 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.252 13.308 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.556 15.200 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.953 14.754 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.003 13.812 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.019 12.604 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.590 12.932 11.518 1.00 0.00 H new ATOM 448 N GLU A 26 -12.331 11.873 5.188 1.00 0.00 N ATOM 449 CA GLU A 26 -11.683 10.965 4.196 1.00 0.00 C ATOM 450 C GLU A 26 -11.191 9.576 4.718 1.00 0.00 C ATOM 451 O GLU A 26 -11.693 8.526 4.301 1.00 0.00 O ATOM 452 CB GLU A 26 -10.676 11.792 3.361 1.00 0.00 C ATOM 453 CG GLU A 26 -10.362 11.224 1.973 1.00 0.00 C ATOM 454 CD GLU A 26 -9.299 12.027 1.233 1.00 0.00 C ATOM 455 OE1 GLU A 26 -8.096 11.879 1.543 1.00 0.00 O ATOM 456 OE2 GLU A 26 -9.668 12.827 0.350 1.00 0.00 O ATOM 0 H GLU A 26 -13.324 12.015 5.004 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.459 10.594 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.069 12.802 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.745 11.875 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.026 10.192 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.275 11.204 1.378 1.00 0.00 H new ATOM 463 N LEU A 27 -10.269 9.598 5.691 1.00 0.00 N ATOM 464 CA LEU A 27 -9.957 8.430 6.558 1.00 0.00 C ATOM 465 C LEU A 27 -11.187 7.811 7.305 1.00 0.00 C ATOM 466 O LEU A 27 -11.353 6.597 7.235 1.00 0.00 O ATOM 467 CB LEU A 27 -8.782 8.814 7.507 1.00 0.00 C ATOM 468 CG LEU A 27 -8.282 7.740 8.515 1.00 0.00 C ATOM 469 CD1 LEU A 27 -7.844 6.427 7.839 1.00 0.00 C ATOM 470 CD2 LEU A 27 -7.119 8.299 9.355 1.00 0.00 C ATOM 0 H LEU A 27 -9.712 10.424 5.907 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.647 7.610 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.936 9.112 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.085 9.692 8.077 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.131 7.502 9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.507 5.722 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.686 5.999 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.029 6.630 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.778 7.538 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.297 8.580 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.458 9.176 9.907 1.00 0.00 H new ATOM 482 N GLU A 28 -12.061 8.603 7.956 1.00 0.00 N ATOM 483 CA GLU A 28 -13.362 8.117 8.517 1.00 0.00 C ATOM 484 C GLU A 28 -14.295 7.309 7.534 1.00 0.00 C ATOM 485 O GLU A 28 -14.799 6.240 7.895 1.00 0.00 O ATOM 486 CB GLU A 28 -14.045 9.371 9.133 1.00 0.00 C ATOM 487 CG GLU A 28 -15.291 9.093 10.012 1.00 0.00 C ATOM 488 CD GLU A 28 -15.872 10.348 10.632 1.00 0.00 C ATOM 489 OE1 GLU A 28 -15.337 10.830 11.651 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.841 10.919 10.085 1.00 0.00 O ATOM 0 H GLU A 28 -11.897 9.597 8.114 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.161 7.349 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.309 9.904 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.337 10.039 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.055 8.607 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.021 8.395 10.804 1.00 0.00 H new ATOM 497 N ARG A 29 -14.467 7.783 6.283 1.00 0.00 N ATOM 498 CA ARG A 29 -15.119 7.000 5.189 1.00 0.00 C ATOM 499 C ARG A 29 -14.365 5.688 4.774 1.00 0.00 C ATOM 500 O ARG A 29 -14.993 4.627 4.715 1.00 0.00 O ATOM 501 CB ARG A 29 -15.358 7.927 3.962 1.00 0.00 C ATOM 502 CG ARG A 29 -16.393 9.059 4.170 1.00 0.00 C ATOM 503 CD ARG A 29 -16.562 9.946 2.920 1.00 0.00 C ATOM 504 NE ARG A 29 -17.596 10.999 3.144 1.00 0.00 N ATOM 505 CZ ARG A 29 -18.903 10.869 2.905 1.00 0.00 C ATOM 506 NH1 ARG A 29 -19.456 9.761 2.477 1.00 0.00 N ATOM 507 NH2 ARG A 29 -19.675 11.897 3.114 1.00 0.00 N ATOM 0 H ARG A 29 -14.163 8.713 5.994 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.070 6.647 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.406 8.377 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.683 7.312 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -17.356 8.622 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.084 9.679 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.610 10.414 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.846 9.329 2.068 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.276 11.895 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.881 8.936 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.462 9.724 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -19.277 12.773 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -20.677 11.826 2.940 1.00 0.00 H new ATOM 521 N ALA A 30 -13.040 5.743 4.518 1.00 0.00 N ATOM 522 CA ALA A 30 -12.203 4.525 4.329 1.00 0.00 C ATOM 523 C ALA A 30 -12.153 3.513 5.526 1.00 0.00 C ATOM 524 O ALA A 30 -12.288 2.313 5.295 1.00 0.00 O ATOM 525 CB ALA A 30 -10.803 5.011 3.911 1.00 0.00 C ATOM 0 H ALA A 30 -12.521 6.617 4.436 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.676 3.917 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.150 4.152 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.877 5.578 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.390 5.647 4.694 1.00 0.00 H new ATOM 531 N LEU A 31 -12.019 3.976 6.781 1.00 0.00 N ATOM 532 CA LEU A 31 -12.153 3.146 8.016 1.00 0.00 C ATOM 533 C LEU A 31 -13.464 2.293 8.146 1.00 0.00 C ATOM 534 O LEU A 31 -13.389 1.107 8.481 1.00 0.00 O ATOM 535 CB LEU A 31 -11.958 4.121 9.217 1.00 0.00 C ATOM 536 CG LEU A 31 -11.626 3.479 10.588 1.00 0.00 C ATOM 537 CD1 LEU A 31 -10.162 3.004 10.648 1.00 0.00 C ATOM 538 CD2 LEU A 31 -11.874 4.482 11.727 1.00 0.00 C ATOM 0 H LEU A 31 -11.811 4.954 6.981 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.393 2.365 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.158 4.816 8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.868 4.710 9.329 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.281 2.616 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.964 2.559 11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.988 2.262 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.497 3.854 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.636 4.014 12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.242 5.358 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.921 4.786 11.723 1.00 0.00 H new ATOM 550 N GLN A 32 -14.640 2.877 7.840 1.00 0.00 N ATOM 551 CA GLN A 32 -15.921 2.131 7.710 1.00 0.00 C ATOM 552 C GLN A 32 -15.941 1.003 6.615 1.00 0.00 C ATOM 553 O GLN A 32 -16.348 -0.126 6.914 1.00 0.00 O ATOM 554 CB GLN A 32 -17.006 3.222 7.496 1.00 0.00 C ATOM 555 CG GLN A 32 -18.459 2.704 7.598 1.00 0.00 C ATOM 556 CD GLN A 32 -19.512 3.765 7.274 1.00 0.00 C ATOM 557 OE1 GLN A 32 -20.009 4.475 8.139 1.00 0.00 O ATOM 558 NE2 GLN A 32 -19.888 3.914 6.026 1.00 0.00 N ATOM 0 H GLN A 32 -14.735 3.879 7.675 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.102 1.545 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.861 4.011 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.862 3.673 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.584 1.861 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.632 2.329 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.481 3.328 5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.588 4.616 5.784 1.00 0.00 H new ATOM 567 N GLU A 33 -15.489 1.285 5.374 1.00 0.00 N ATOM 568 CA GLU A 33 -15.244 0.229 4.347 1.00 0.00 C ATOM 569 C GLU A 33 -14.108 -0.801 4.691 1.00 0.00 C ATOM 570 O GLU A 33 -14.290 -1.988 4.426 1.00 0.00 O ATOM 571 CB GLU A 33 -15.077 0.897 2.955 1.00 0.00 C ATOM 572 CG GLU A 33 -15.068 -0.067 1.731 1.00 0.00 C ATOM 573 CD GLU A 33 -16.303 -0.945 1.545 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.388 -0.412 1.227 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.198 -2.178 1.719 1.00 0.00 O ATOM 0 H GLU A 33 -15.284 2.231 5.052 1.00 0.00 H new ATOM 0 HA GLU A 33 -16.127 -0.410 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.885 1.616 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.145 1.461 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.935 0.529 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.197 -0.717 1.815 1.00 0.00 H new ATOM 582 N LEU A 34 -12.982 -0.404 5.315 1.00 0.00 N ATOM 583 CA LEU A 34 -11.974 -1.353 5.878 1.00 0.00 C ATOM 584 C LEU A 34 -12.523 -2.339 6.963 1.00 0.00 C ATOM 585 O LEU A 34 -12.304 -3.542 6.820 1.00 0.00 O ATOM 586 CB LEU A 34 -10.729 -0.572 6.383 1.00 0.00 C ATOM 587 CG LEU A 34 -9.821 0.088 5.309 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.813 1.017 6.004 1.00 0.00 C ATOM 589 CD2 LEU A 34 -9.066 -0.945 4.451 1.00 0.00 C ATOM 0 H LEU A 34 -12.737 0.577 5.448 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.686 -2.006 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.072 0.209 7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.116 -1.256 6.969 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.466 0.652 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.172 1.484 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.350 1.789 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.201 0.438 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.448 -0.427 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.432 -1.557 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.783 -1.583 3.934 1.00 0.00 H new ATOM 601 N GLU A 35 -13.278 -1.885 7.985 1.00 0.00 N ATOM 602 CA GLU A 35 -14.079 -2.788 8.869 1.00 0.00 C ATOM 603 C GLU A 35 -14.994 -3.829 8.122 1.00 0.00 C ATOM 604 O GLU A 35 -14.871 -5.040 8.335 1.00 0.00 O ATOM 605 CB GLU A 35 -14.866 -1.868 9.844 1.00 0.00 C ATOM 606 CG GLU A 35 -15.644 -2.624 10.948 1.00 0.00 C ATOM 607 CD GLU A 35 -16.195 -1.782 12.078 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.438 -1.028 12.720 1.00 0.00 O ATOM 609 OE2 GLU A 35 -17.375 -1.970 12.438 1.00 0.00 O ATOM 0 H GLU A 35 -13.356 -0.897 8.227 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.399 -3.446 9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.167 -1.178 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.569 -1.266 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.474 -3.153 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.984 -3.379 11.375 1.00 0.00 H new ATOM 616 N LYS A 36 -15.854 -3.339 7.210 1.00 0.00 N ATOM 617 CA LYS A 36 -16.614 -4.171 6.238 1.00 0.00 C ATOM 618 C LYS A 36 -15.756 -5.155 5.366 1.00 0.00 C ATOM 619 O LYS A 36 -16.024 -6.358 5.387 1.00 0.00 O ATOM 620 CB LYS A 36 -17.465 -3.131 5.449 1.00 0.00 C ATOM 621 CG LYS A 36 -18.284 -3.613 4.230 1.00 0.00 C ATOM 622 CD LYS A 36 -19.020 -2.424 3.562 1.00 0.00 C ATOM 623 CE LYS A 36 -19.412 -2.627 2.088 1.00 0.00 C ATOM 624 NZ LYS A 36 -20.571 -3.545 1.944 1.00 0.00 N ATOM 0 H LYS A 36 -16.048 -2.342 7.120 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.242 -4.907 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.159 -2.670 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.792 -2.346 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.623 -4.091 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.008 -4.365 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.924 -2.212 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.384 -1.541 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.655 -1.663 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.561 -3.028 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.803 -3.655 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.331 -4.473 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.391 -3.150 2.447 1.00 0.00 H new ATOM 638 N ALA A 37 -14.737 -4.675 4.632 1.00 0.00 N ATOM 639 CA ALA A 37 -13.835 -5.524 3.810 1.00 0.00 C ATOM 640 C ALA A 37 -12.942 -6.553 4.578 1.00 0.00 C ATOM 641 O ALA A 37 -12.867 -7.703 4.140 1.00 0.00 O ATOM 642 CB ALA A 37 -13.003 -4.575 2.927 1.00 0.00 C ATOM 0 H ALA A 37 -14.509 -3.682 4.587 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.467 -6.187 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.324 -5.158 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.669 -3.993 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.426 -3.901 3.560 1.00 0.00 H new ATOM 648 N LEU A 38 -12.305 -6.191 5.713 1.00 0.00 N ATOM 649 CA LEU A 38 -11.572 -7.166 6.579 1.00 0.00 C ATOM 650 C LEU A 38 -12.456 -8.306 7.199 1.00 0.00 C ATOM 651 O LEU A 38 -12.030 -9.466 7.190 1.00 0.00 O ATOM 652 CB LEU A 38 -10.754 -6.420 7.677 1.00 0.00 C ATOM 653 CG LEU A 38 -9.661 -5.401 7.238 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.994 -4.763 8.470 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.597 -6.007 6.312 1.00 0.00 C ATOM 0 H LEU A 38 -12.278 -5.232 6.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.890 -7.688 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.463 -5.890 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.271 -7.174 8.298 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.174 -4.634 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.233 -4.054 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.746 -4.242 9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.530 -5.541 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.868 -5.242 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.093 -6.826 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.074 -6.384 5.407 1.00 0.00 H new ATOM 667 N ALA A 39 -13.683 -8.001 7.677 1.00 0.00 N ATOM 668 CA ALA A 39 -14.696 -9.035 8.017 1.00 0.00 C ATOM 669 C ALA A 39 -15.243 -9.868 6.805 1.00 0.00 C ATOM 670 O ALA A 39 -15.217 -11.100 6.858 1.00 0.00 O ATOM 671 CB ALA A 39 -15.811 -8.298 8.788 1.00 0.00 C ATOM 0 H ALA A 39 -14.000 -7.045 7.838 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.225 -9.810 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.590 -9.007 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.393 -7.845 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.238 -7.521 8.155 1.00 0.00 H new ATOM 677 N ARG A 40 -15.714 -9.219 5.721 1.00 0.00 N ATOM 678 CA ARG A 40 -16.287 -9.911 4.526 1.00 0.00 C ATOM 679 C ARG A 40 -15.293 -10.758 3.659 1.00 0.00 C ATOM 680 O ARG A 40 -15.683 -11.824 3.172 1.00 0.00 O ATOM 681 CB ARG A 40 -17.085 -8.832 3.737 1.00 0.00 C ATOM 682 CG ARG A 40 -17.986 -9.324 2.575 1.00 0.00 C ATOM 683 CD ARG A 40 -17.288 -9.327 1.201 1.00 0.00 C ATOM 684 NE ARG A 40 -18.248 -9.802 0.170 1.00 0.00 N ATOM 685 CZ ARG A 40 -17.976 -9.950 -1.127 1.00 0.00 C ATOM 686 NH1 ARG A 40 -16.804 -9.696 -1.658 1.00 0.00 N ATOM 687 NH2 ARG A 40 -18.927 -10.369 -1.912 1.00 0.00 N ATOM 0 H ARG A 40 -15.712 -8.202 5.640 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.944 -10.712 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.713 -8.291 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.372 -8.115 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.331 -10.334 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.871 -8.690 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.937 -8.325 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.411 -9.974 1.226 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.192 -10.034 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.039 -9.365 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.658 -9.829 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.850 -10.574 -1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.749 -10.492 -2.909 1.00 0.00 H new ATOM 701 N ALA A 41 -14.042 -10.316 3.455 1.00 0.00 N ATOM 702 CA ALA A 41 -12.967 -11.172 2.874 1.00 0.00 C ATOM 703 C ALA A 41 -12.401 -12.318 3.781 1.00 0.00 C ATOM 704 O ALA A 41 -12.017 -13.366 3.250 1.00 0.00 O ATOM 705 CB ALA A 41 -11.837 -10.225 2.423 1.00 0.00 C ATOM 0 H ALA A 41 -13.738 -9.369 3.681 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.421 -11.727 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.025 -10.808 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.222 -9.529 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.465 -9.667 3.282 1.00 0.00 H new ATOM 711 N GLY A 42 -12.291 -12.109 5.108 1.00 0.00 N ATOM 712 CA GLY A 42 -11.649 -13.069 6.045 1.00 0.00 C ATOM 713 C GLY A 42 -10.146 -12.808 6.274 1.00 0.00 C ATOM 714 O GLY A 42 -9.298 -13.601 5.848 1.00 0.00 O ATOM 0 H GLY A 42 -12.644 -11.269 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.165 -13.026 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.778 -14.080 5.659 1.00 0.00 H new ATOM 718 N ALA A 43 -9.808 -11.695 6.938 1.00 0.00 N ATOM 719 CA ALA A 43 -8.404 -11.253 7.080 1.00 0.00 C ATOM 720 C ALA A 43 -7.670 -11.858 8.320 1.00 0.00 C ATOM 721 O ALA A 43 -7.715 -11.314 9.427 1.00 0.00 O ATOM 722 CB ALA A 43 -8.477 -9.722 7.094 1.00 0.00 C ATOM 0 H ALA A 43 -10.485 -11.079 7.388 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.790 -11.617 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.473 -9.311 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.919 -9.370 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.091 -9.395 7.933 1.00 0.00 H new ATOM 728 N ARG A 44 -6.964 -12.985 8.118 1.00 0.00 N ATOM 729 CA ARG A 44 -6.202 -13.670 9.210 1.00 0.00 C ATOM 730 C ARG A 44 -4.931 -12.909 9.729 1.00 0.00 C ATOM 731 O ARG A 44 -4.713 -12.882 10.943 1.00 0.00 O ATOM 732 CB ARG A 44 -5.929 -15.133 8.756 1.00 0.00 C ATOM 733 CG ARG A 44 -5.584 -16.176 9.857 1.00 0.00 C ATOM 734 CD ARG A 44 -4.157 -16.120 10.472 1.00 0.00 C ATOM 735 NE ARG A 44 -3.328 -17.325 10.173 1.00 0.00 N ATOM 736 CZ ARG A 44 -2.735 -17.586 9.005 1.00 0.00 C ATOM 737 NH1 ARG A 44 -2.808 -16.796 7.973 1.00 0.00 N ATOM 738 NH2 ARG A 44 -2.060 -18.690 8.872 1.00 0.00 N ATOM 0 H ARG A 44 -6.897 -13.451 7.213 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.821 -13.673 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.809 -15.488 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.107 -15.115 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.305 -16.062 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.731 -17.171 9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.644 -15.234 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.241 -16.006 11.553 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.204 -18.005 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.339 -15.927 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.334 -17.046 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.989 -19.342 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.601 -18.904 7.986 1.00 0.00 H new ATOM 752 N ASN A 45 -4.095 -12.332 8.843 1.00 0.00 N ATOM 753 CA ASN A 45 -3.019 -11.379 9.240 1.00 0.00 C ATOM 754 C ASN A 45 -3.240 -10.023 8.496 1.00 0.00 C ATOM 755 O ASN A 45 -3.394 -9.988 7.269 1.00 0.00 O ATOM 756 CB ASN A 45 -1.624 -12.018 8.984 1.00 0.00 C ATOM 757 CG ASN A 45 -0.381 -11.192 9.385 1.00 0.00 C ATOM 758 OD1 ASN A 45 -0.303 -9.982 9.216 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.670 -11.818 9.859 1.00 0.00 N ATOM 0 H ASN A 45 -4.139 -12.506 7.839 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.059 -11.165 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.585 -12.967 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.548 -12.247 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.520 -11.297 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.637 -12.826 10.011 1.00 0.00 H new ATOM 766 N VAL A 46 -3.225 -8.906 9.241 1.00 0.00 N ATOM 767 CA VAL A 46 -3.258 -7.535 8.650 1.00 0.00 C ATOM 768 C VAL A 46 -2.110 -6.720 9.317 1.00 0.00 C ATOM 769 O VAL A 46 -2.122 -6.517 10.536 1.00 0.00 O ATOM 770 CB VAL A 46 -4.643 -6.818 8.832 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.731 -5.482 8.055 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.862 -7.651 8.397 1.00 0.00 C ATOM 0 H VAL A 46 -3.190 -8.914 10.260 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.117 -7.606 7.572 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.683 -6.657 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.710 -5.030 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.955 -4.803 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.590 -5.670 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.773 -7.075 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.774 -7.900 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.904 -8.569 8.984 1.00 0.00 H new ATOM 782 N GLN A 47 -1.154 -6.200 8.526 1.00 0.00 N ATOM 783 CA GLN A 47 -0.178 -5.194 9.025 1.00 0.00 C ATOM 784 C GLN A 47 -0.532 -3.758 8.538 1.00 0.00 C ATOM 785 O GLN A 47 -0.468 -3.445 7.344 1.00 0.00 O ATOM 786 CB GLN A 47 1.286 -5.649 8.824 1.00 0.00 C ATOM 787 CG GLN A 47 1.842 -5.765 7.388 1.00 0.00 C ATOM 788 CD GLN A 47 3.295 -6.246 7.326 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.239 -5.465 7.386 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.526 -7.531 7.222 1.00 0.00 N ATOM 0 H GLN A 47 -1.031 -6.452 7.545 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.266 -5.127 10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.925 -4.954 9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.396 -6.624 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.216 -6.454 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.770 -4.793 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.746 -8.187 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.485 -7.876 7.191 1.00 0.00 H new ATOM 799 N ILE A 48 -0.921 -2.895 9.492 1.00 0.00 N ATOM 800 CA ILE A 48 -1.285 -1.476 9.221 1.00 0.00 C ATOM 801 C ILE A 48 -0.035 -0.618 9.584 1.00 0.00 C ATOM 802 O ILE A 48 0.346 -0.530 10.757 1.00 0.00 O ATOM 803 CB ILE A 48 -2.598 -1.062 9.982 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.820 -1.932 9.549 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.897 0.452 9.791 1.00 0.00 C ATOM 806 CD1 ILE A 48 -5.138 -1.737 10.314 1.00 0.00 C ATOM 0 H ILE A 48 -0.995 -3.153 10.476 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.532 -1.314 8.172 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.430 -1.246 11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.012 -1.739 8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.534 -2.980 9.635 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.810 0.713 10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.066 1.039 10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.025 0.667 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.897 -2.405 9.907 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.983 -1.964 11.369 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.470 -0.704 10.210 1.00 0.00 H new ATOM 818 N THR A 49 0.588 0.014 8.574 1.00 0.00 N ATOM 819 CA THR A 49 1.727 0.948 8.796 1.00 0.00 C ATOM 820 C THR A 49 1.233 2.401 8.561 1.00 0.00 C ATOM 821 O THR A 49 0.935 2.786 7.424 1.00 0.00 O ATOM 822 CB THR A 49 2.944 0.553 7.912 1.00 0.00 C ATOM 823 OG1 THR A 49 3.257 -0.823 8.108 1.00 0.00 O ATOM 824 CG2 THR A 49 4.219 1.346 8.243 1.00 0.00 C ATOM 0 H THR A 49 0.329 -0.099 7.594 1.00 0.00 H new ATOM 0 HA THR A 49 2.082 0.883 9.824 1.00 0.00 H new ATOM 0 HB THR A 49 2.647 0.771 6.886 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.023 -1.067 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.029 1.021 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.035 2.410 8.092 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.498 1.170 9.282 1.00 0.00 H new ATOM 832 N ILE A 50 1.133 3.192 9.645 1.00 0.00 N ATOM 833 CA ILE A 50 0.642 4.597 9.573 1.00 0.00 C ATOM 834 C ILE A 50 1.812 5.618 9.752 1.00 0.00 C ATOM 835 O ILE A 50 2.448 5.675 10.810 1.00 0.00 O ATOM 836 CB ILE A 50 -0.606 4.809 10.496 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.375 6.105 10.124 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.303 4.768 12.014 1.00 0.00 C ATOM 839 CD1 ILE A 50 -2.836 6.150 10.602 1.00 0.00 C ATOM 0 H ILE A 50 1.384 2.889 10.586 1.00 0.00 H new ATOM 0 HA ILE A 50 0.267 4.803 8.571 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.243 3.946 10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.844 6.959 10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.359 6.222 9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.225 4.924 12.573 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.120 3.798 12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.410 5.553 12.264 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.290 7.092 10.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.389 5.320 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.866 6.069 11.689 1.00 0.00 H new ATOM 851 N SER A 51 2.086 6.433 8.717 1.00 0.00 N ATOM 852 CA SER A 51 3.176 7.447 8.757 1.00 0.00 C ATOM 853 C SER A 51 2.660 8.804 9.329 1.00 0.00 C ATOM 854 O SER A 51 1.899 9.528 8.675 1.00 0.00 O ATOM 855 CB SER A 51 3.768 7.572 7.337 1.00 0.00 C ATOM 856 OG SER A 51 4.975 8.335 7.355 1.00 0.00 O ATOM 0 H SER A 51 1.571 6.415 7.837 1.00 0.00 H new ATOM 0 HA SER A 51 3.969 7.132 9.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.966 6.579 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.042 8.047 6.676 1.00 0.00 H new ATOM 0 HG SER A 51 5.334 8.400 6.446 1.00 0.00 H new ATOM 862 N ALA A 52 3.052 9.117 10.576 1.00 0.00 N ATOM 863 CA ALA A 52 2.542 10.298 11.316 1.00 0.00 C ATOM 864 C ALA A 52 3.531 11.512 11.366 1.00 0.00 C ATOM 865 O ALA A 52 4.749 11.374 11.204 1.00 0.00 O ATOM 866 CB ALA A 52 2.201 9.753 12.718 1.00 0.00 C ATOM 0 H ALA A 52 3.728 8.565 11.103 1.00 0.00 H new ATOM 0 HA ALA A 52 1.678 10.727 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.814 10.561 13.338 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.447 8.970 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.100 9.342 13.177 1.00 0.00 H new ATOM 872 N GLU A 53 2.988 12.713 11.643 1.00 0.00 N ATOM 873 CA GLU A 53 3.791 13.971 11.793 1.00 0.00 C ATOM 874 C GLU A 53 4.750 14.029 13.041 1.00 0.00 C ATOM 875 O GLU A 53 5.866 14.543 12.945 1.00 0.00 O ATOM 876 CB GLU A 53 2.820 15.191 11.845 1.00 0.00 C ATOM 877 CG GLU A 53 1.858 15.434 10.649 1.00 0.00 C ATOM 878 CD GLU A 53 0.733 16.418 10.948 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.152 16.074 11.762 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.715 17.516 10.354 1.00 0.00 O ATOM 0 H GLU A 53 1.986 12.853 11.771 1.00 0.00 H new ATOM 0 HA GLU A 53 4.448 13.995 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.211 15.090 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.425 16.089 11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.435 15.804 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.423 14.481 10.347 1.00 0.00 H new ATOM 887 N ASN A 54 4.288 13.563 14.218 1.00 0.00 N ATOM 888 CA ASN A 54 5.005 13.695 15.518 1.00 0.00 C ATOM 889 C ASN A 54 4.782 12.422 16.412 1.00 0.00 C ATOM 890 O ASN A 54 3.869 11.621 16.177 1.00 0.00 O ATOM 891 CB ASN A 54 4.478 15.015 16.166 1.00 0.00 C ATOM 892 CG ASN A 54 5.243 15.508 17.396 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.920 15.173 18.531 1.00 0.00 O ATOM 894 ND2 ASN A 54 6.283 16.285 17.219 1.00 0.00 N ATOM 0 H ASN A 54 3.395 13.077 14.302 1.00 0.00 H new ATOM 0 HA ASN A 54 6.086 13.755 15.392 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.498 15.801 15.411 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.435 14.868 16.446 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.820 16.609 18.023 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.555 16.566 16.277 1.00 0.00 H new ATOM 901 N ASP A 55 5.583 12.270 17.487 1.00 0.00 N ATOM 902 CA ASP A 55 5.327 11.259 18.563 1.00 0.00 C ATOM 903 C ASP A 55 3.909 11.348 19.247 1.00 0.00 C ATOM 904 O ASP A 55 3.250 10.315 19.391 1.00 0.00 O ATOM 905 CB ASP A 55 6.519 11.328 19.558 1.00 0.00 C ATOM 906 CG ASP A 55 6.555 10.217 20.609 1.00 0.00 C ATOM 907 OD1 ASP A 55 7.051 9.114 20.298 1.00 0.00 O ATOM 908 OD2 ASP A 55 6.087 10.445 21.745 1.00 0.00 O ATOM 0 H ASP A 55 6.419 12.832 17.644 1.00 0.00 H new ATOM 0 HA ASP A 55 5.278 10.269 18.109 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.448 11.299 18.989 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.489 12.290 20.070 1.00 0.00 H new ATOM 913 N GLU A 56 3.391 12.550 19.585 1.00 0.00 N ATOM 914 CA GLU A 56 1.969 12.720 20.023 1.00 0.00 C ATOM 915 C GLU A 56 0.878 12.332 18.962 1.00 0.00 C ATOM 916 O GLU A 56 -0.056 11.607 19.313 1.00 0.00 O ATOM 917 CB GLU A 56 1.728 14.130 20.626 1.00 0.00 C ATOM 918 CG GLU A 56 2.466 14.400 21.964 1.00 0.00 C ATOM 919 CD GLU A 56 1.841 15.484 22.824 1.00 0.00 C ATOM 920 OE1 GLU A 56 2.209 16.668 22.676 1.00 0.00 O ATOM 921 OE2 GLU A 56 0.987 15.138 23.670 1.00 0.00 O ATOM 0 H GLU A 56 3.926 13.418 19.566 1.00 0.00 H new ATOM 0 HA GLU A 56 1.834 11.977 20.809 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.039 14.879 19.898 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.658 14.264 20.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.500 13.474 22.538 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.497 14.678 21.745 1.00 0.00 H new ATOM 928 N GLN A 57 1.014 12.735 17.681 1.00 0.00 N ATOM 929 CA GLN A 57 0.186 12.187 16.556 1.00 0.00 C ATOM 930 C GLN A 57 0.261 10.630 16.368 1.00 0.00 C ATOM 931 O GLN A 57 -0.784 9.978 16.310 1.00 0.00 O ATOM 932 CB GLN A 57 0.546 12.937 15.236 1.00 0.00 C ATOM 933 CG GLN A 57 0.005 14.386 15.082 1.00 0.00 C ATOM 934 CD GLN A 57 -1.497 14.481 14.774 1.00 0.00 C ATOM 935 OE1 GLN A 57 -2.351 14.207 15.610 1.00 0.00 O ATOM 936 NE2 GLN A 57 -1.883 14.867 13.581 1.00 0.00 N ATOM 0 H GLN A 57 1.689 13.441 17.387 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.854 12.370 16.827 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.632 12.969 15.149 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.177 12.346 14.398 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.209 14.935 16.001 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.558 14.883 14.285 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.189 15.100 12.871 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.877 14.934 13.364 1.00 0.00 H new ATOM 945 N ALA A 58 1.470 10.030 16.333 1.00 0.00 N ATOM 946 CA ALA A 58 1.664 8.562 16.495 1.00 0.00 C ATOM 947 C ALA A 58 1.003 7.888 17.751 1.00 0.00 C ATOM 948 O ALA A 58 0.383 6.832 17.609 1.00 0.00 O ATOM 949 CB ALA A 58 3.190 8.337 16.437 1.00 0.00 C ATOM 0 H ALA A 58 2.341 10.543 16.192 1.00 0.00 H new ATOM 0 HA ALA A 58 1.126 8.057 15.692 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.406 7.275 16.550 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.573 8.685 15.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.671 8.892 17.242 1.00 0.00 H new ATOM 955 N LYS A 59 1.081 8.503 18.949 1.00 0.00 N ATOM 956 CA LYS A 59 0.335 8.053 20.161 1.00 0.00 C ATOM 957 C LYS A 59 -1.228 8.093 20.055 1.00 0.00 C ATOM 958 O LYS A 59 -1.871 7.110 20.434 1.00 0.00 O ATOM 959 CB LYS A 59 0.903 8.856 21.368 1.00 0.00 C ATOM 960 CG LYS A 59 0.569 8.319 22.784 1.00 0.00 C ATOM 961 CD LYS A 59 -0.708 8.893 23.449 1.00 0.00 C ATOM 962 CE LYS A 59 -0.526 10.198 24.260 1.00 0.00 C ATOM 963 NZ LYS A 59 -0.392 11.401 23.392 1.00 0.00 N ATOM 0 H LYS A 59 1.661 9.326 19.112 1.00 0.00 H new ATOM 0 HA LYS A 59 0.503 6.984 20.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.988 8.898 21.268 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.536 9.880 21.298 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.467 7.235 22.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.417 8.524 23.437 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.449 9.074 22.670 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.121 8.132 24.111 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.379 10.329 24.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.359 10.109 24.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.375 12.256 23.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.492 11.339 22.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.199 11.449 22.738 1.00 0.00 H new ATOM 977 N GLU A 60 -1.843 9.175 19.534 1.00 0.00 N ATOM 978 CA GLU A 60 -3.319 9.216 19.283 1.00 0.00 C ATOM 979 C GLU A 60 -3.810 8.232 18.161 1.00 0.00 C ATOM 980 O GLU A 60 -4.764 7.476 18.372 1.00 0.00 O ATOM 981 CB GLU A 60 -3.823 10.668 19.030 1.00 0.00 C ATOM 982 CG GLU A 60 -3.436 11.787 20.039 1.00 0.00 C ATOM 983 CD GLU A 60 -3.551 11.501 21.529 1.00 0.00 C ATOM 984 OE1 GLU A 60 -4.537 10.888 21.983 1.00 0.00 O ATOM 985 OE2 GLU A 60 -2.628 11.911 22.263 1.00 0.00 O ATOM 0 H GLU A 60 -1.354 10.032 19.277 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.773 8.854 20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.466 10.974 18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.911 10.634 18.977 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.404 12.072 19.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.055 12.657 19.821 1.00 0.00 H new ATOM 992 N LEU A 61 -3.131 8.190 16.998 1.00 0.00 N ATOM 993 CA LEU A 61 -3.363 7.158 15.940 1.00 0.00 C ATOM 994 C LEU A 61 -3.197 5.658 16.370 1.00 0.00 C ATOM 995 O LEU A 61 -3.974 4.812 15.916 1.00 0.00 O ATOM 996 CB LEU A 61 -2.463 7.492 14.716 1.00 0.00 C ATOM 997 CG LEU A 61 -2.748 8.824 13.968 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.606 9.144 12.993 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.090 8.819 13.215 1.00 0.00 C ATOM 0 H LEU A 61 -2.405 8.864 16.755 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.423 7.223 15.695 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.427 7.509 15.053 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.552 6.676 13.999 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.813 9.599 14.732 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.820 10.080 12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.672 9.240 13.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.514 8.340 12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.230 9.777 12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.089 8.019 12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.903 8.658 13.922 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.243 5.330 17.267 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.188 4.021 17.982 1.00 0.00 C ATOM 1013 C LEU A 62 -3.508 3.596 18.708 1.00 0.00 C ATOM 1014 O LEU A 62 -3.989 2.494 18.431 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.926 4.063 18.890 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.596 2.829 19.770 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.472 1.517 18.976 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.712 3.092 20.538 1.00 0.00 C ATOM 0 H LEU A 62 -1.484 5.962 17.522 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.100 3.213 17.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.065 4.251 18.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.024 4.923 19.552 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.435 2.696 20.453 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.240 0.699 19.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.413 1.309 18.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.326 1.612 18.239 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.950 2.228 21.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.522 3.263 19.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.592 3.971 21.171 1.00 0.00 H new ATOM 1030 N GLU A 63 -4.133 4.458 19.543 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.536 4.240 20.013 1.00 0.00 C ATOM 1032 C GLU A 63 -6.592 3.998 18.881 1.00 0.00 C ATOM 1033 O GLU A 63 -7.249 2.956 18.898 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.981 5.369 20.983 1.00 0.00 C ATOM 1035 CG GLU A 63 -7.267 5.032 21.795 1.00 0.00 C ATOM 1036 CD GLU A 63 -8.460 5.942 21.564 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -9.041 5.948 20.460 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -8.903 6.590 22.530 1.00 0.00 O ATOM 0 H GLU A 63 -3.699 5.306 19.907 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.507 3.295 20.556 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.168 5.578 21.679 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.153 6.280 20.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.564 4.010 21.559 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.019 5.055 22.856 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.717 4.900 17.889 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.674 4.751 16.751 1.00 0.00 C ATOM 1047 C LEU A 64 -7.582 3.418 15.931 1.00 0.00 C ATOM 1048 O LEU A 64 -8.614 2.791 15.667 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.536 6.011 15.841 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.425 7.230 16.193 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -8.139 7.861 17.568 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.283 8.321 15.117 1.00 0.00 C ATOM 0 H LEU A 64 -6.163 5.755 17.844 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.670 4.679 17.187 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.495 6.333 15.863 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.757 5.715 14.816 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.440 6.835 16.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.809 8.706 17.727 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.300 7.119 18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.105 8.206 17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.913 9.172 15.376 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.243 8.643 15.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.592 7.922 14.151 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.365 2.965 15.574 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.153 1.603 14.993 1.00 0.00 C ATOM 1066 C ILE A 65 -6.418 0.466 16.053 1.00 0.00 C ATOM 1067 O ILE A 65 -7.264 -0.392 15.793 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.778 1.427 14.248 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.354 2.565 13.271 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.779 0.100 13.440 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -2.865 2.534 12.867 1.00 0.00 C ATOM 0 H ILE A 65 -5.510 3.512 15.673 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.905 1.500 14.210 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.051 1.442 15.060 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.964 2.500 12.370 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.572 3.527 13.735 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.824 -0.014 12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.929 -0.739 14.119 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.585 0.122 12.706 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.655 3.359 12.187 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.244 2.631 13.758 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.642 1.589 12.371 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.739 0.430 17.222 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.977 -0.607 18.273 1.00 0.00 C ATOM 1085 C ALA A 66 -7.451 -0.801 18.791 1.00 0.00 C ATOM 1086 O ALA A 66 -7.902 -1.940 18.931 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.972 -0.334 19.409 1.00 0.00 C ATOM 0 H ALA A 66 -5.017 1.107 17.470 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.815 -1.576 17.802 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.110 -1.070 20.201 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.956 -0.405 19.021 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.138 0.666 19.810 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.209 0.290 19.000 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.693 0.281 19.218 1.00 0.00 C ATOM 1095 C ARG A 67 -10.549 -0.363 18.074 1.00 0.00 C ATOM 1096 O ARG A 67 -11.417 -1.187 18.373 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.014 1.771 19.523 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.442 2.256 19.887 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.313 3.701 20.438 1.00 0.00 C ATOM 1100 NE ARG A 67 -12.581 4.454 20.635 1.00 0.00 N ATOM 1101 CZ ARG A 67 -12.652 5.676 21.189 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -11.615 6.399 21.550 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -13.826 6.192 21.389 1.00 0.00 N ATOM 0 H ARG A 67 -7.813 1.229 19.025 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.977 -0.384 20.034 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.364 2.068 20.346 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.703 2.343 18.649 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.090 2.236 19.011 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.892 1.600 20.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.791 3.656 21.394 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.681 4.270 19.757 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.450 4.015 20.331 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.670 6.039 21.415 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.755 7.320 21.965 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.663 5.671 21.127 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.911 7.118 21.808 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.280 -0.063 16.782 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.811 -0.860 15.633 1.00 0.00 C ATOM 1119 C LEU A 68 -10.455 -2.390 15.679 1.00 0.00 C ATOM 1120 O LEU A 68 -11.347 -3.236 15.586 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.306 -0.188 14.319 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.944 -0.728 13.005 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -12.237 0.030 12.670 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.961 -0.665 11.825 1.00 0.00 C ATOM 0 H LEU A 68 -9.698 0.726 16.501 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.900 -0.848 15.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.497 0.883 14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.225 -0.316 14.258 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.191 -1.776 13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.663 -0.366 11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.953 -0.094 13.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.015 1.089 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.445 -1.051 10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.658 0.369 11.658 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.082 -1.268 12.051 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.164 -2.722 15.844 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.659 -4.119 15.948 1.00 0.00 C ATOM 1138 C LEU A 69 -9.242 -4.958 17.143 1.00 0.00 C ATOM 1139 O LEU A 69 -9.757 -6.060 16.928 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.107 -4.043 15.985 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.378 -3.402 14.767 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.896 -3.177 15.109 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.563 -4.194 13.465 1.00 0.00 C ATOM 0 H LEU A 69 -8.423 -2.024 15.911 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.011 -4.672 15.077 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.821 -3.485 16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.726 -5.057 16.107 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.843 -2.435 14.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.389 -2.728 14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.818 -2.511 15.968 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.429 -4.132 15.347 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.030 -3.694 12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.166 -5.201 13.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.624 -4.250 13.221 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.218 -4.432 18.383 1.00 0.00 N ATOM 1156 CA GLN A 70 -9.933 -5.036 19.543 1.00 0.00 C ATOM 1157 C GLN A 70 -11.501 -5.119 19.423 1.00 0.00 C ATOM 1158 O GLN A 70 -12.073 -6.114 19.876 1.00 0.00 O ATOM 1159 CB GLN A 70 -9.406 -4.300 20.809 1.00 0.00 C ATOM 1160 CG GLN A 70 -9.961 -4.750 22.185 1.00 0.00 C ATOM 1161 CD GLN A 70 -9.656 -6.193 22.603 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -8.626 -6.497 23.196 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -10.535 -7.126 22.324 1.00 0.00 N ATOM 0 H GLN A 70 -8.707 -3.581 18.617 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.704 -6.100 19.596 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.322 -4.408 20.833 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.618 -3.237 20.692 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.564 -4.082 22.949 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.043 -4.618 22.177 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.395 -6.885 21.831 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.358 -8.092 22.600 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.187 -4.140 18.795 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.615 -4.293 18.372 1.00 0.00 C ATOM 1174 C LYS A 71 -13.876 -5.387 17.272 1.00 0.00 C ATOM 1175 O LYS A 71 -14.874 -6.104 17.369 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.148 -2.897 17.938 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.692 -2.769 17.893 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.195 -1.452 17.255 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.071 -1.352 15.720 1.00 0.00 C ATOM 1180 NZ LYS A 71 -17.100 -2.188 15.048 1.00 0.00 N ATOM 0 H LYS A 71 -11.784 -3.232 18.565 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.167 -4.669 19.233 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.756 -2.146 18.624 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.750 -2.664 16.950 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.100 -3.611 17.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.082 -2.841 18.908 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.243 -1.318 17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.644 -0.623 17.699 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.181 -0.313 15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.077 -1.673 15.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.437 -1.702 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.685 -3.105 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.899 -2.343 15.696 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.005 -5.527 16.248 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.056 -6.656 15.270 1.00 0.00 C ATOM 1196 C LEU A 72 -12.881 -8.093 15.875 1.00 0.00 C ATOM 1197 O LEU A 72 -13.656 -8.997 15.552 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.015 -6.402 14.124 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.505 -6.504 12.657 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -13.071 -7.888 12.297 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.515 -5.401 12.313 1.00 0.00 C ATOM 0 H LEU A 72 -12.247 -4.868 16.070 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.074 -6.658 14.881 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.598 -5.405 14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.198 -7.112 14.253 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.615 -6.359 12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.395 -7.889 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.299 -8.645 12.437 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.921 -8.113 12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.833 -5.509 11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.382 -5.484 12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.049 -4.425 12.450 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.850 -8.292 16.713 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.525 -9.605 17.326 1.00 0.00 C ATOM 1215 C GLY A 73 -10.163 -10.198 16.909 1.00 0.00 C ATOM 1216 O GLY A 73 -10.097 -11.328 16.420 1.00 0.00 O ATOM 0 H GLY A 73 -11.211 -7.547 16.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.541 -9.497 18.411 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.309 -10.315 17.065 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.076 -9.453 17.155 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.694 -9.895 16.835 1.00 0.00 C ATOM 1222 C TYR A 74 -6.942 -10.202 18.168 1.00 0.00 C ATOM 1223 O TYR A 74 -6.657 -9.298 18.958 1.00 0.00 O ATOM 1224 CB TYR A 74 -6.992 -8.790 15.998 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.470 -8.631 14.536 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -7.024 -9.509 13.537 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.303 -7.572 14.178 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -7.393 -9.303 12.207 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.673 -7.367 12.852 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.215 -8.240 11.865 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.572 -8.031 10.559 1.00 0.00 O ATOM 0 H TYR A 74 -9.120 -8.527 17.581 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.698 -10.807 16.239 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.128 -7.836 16.508 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.922 -8.997 15.988 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.394 -10.346 13.798 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.667 -6.900 14.941 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.037 -9.975 11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.311 -6.537 12.589 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.152 -7.243 10.500 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.615 -11.485 18.413 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.874 -11.920 19.643 1.00 0.00 C ATOM 1243 C LYS A 75 -4.414 -11.367 19.833 1.00 0.00 C ATOM 1244 O LYS A 75 -4.011 -11.052 20.954 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.957 -13.478 19.734 1.00 0.00 C ATOM 1246 CG LYS A 75 -4.984 -14.266 18.818 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.296 -15.764 18.643 1.00 0.00 C ATOM 1248 CE LYS A 75 -4.165 -16.473 17.865 1.00 0.00 C ATOM 1249 NZ LYS A 75 -4.660 -17.732 17.248 1.00 0.00 N ATOM 0 H LYS A 75 -6.847 -12.251 17.781 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.377 -11.451 20.489 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.770 -13.772 20.767 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.976 -13.782 19.495 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.981 -13.797 17.834 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.976 -14.168 19.221 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.419 -16.231 19.620 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.240 -15.884 18.111 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.779 -15.810 17.091 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.337 -16.693 18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.859 -18.373 17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.338 -18.190 17.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.129 -17.515 16.346 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.632 -11.306 18.743 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.239 -10.803 18.734 1.00 0.00 C ATOM 1265 C ASP A 76 -2.269 -9.395 18.073 1.00 0.00 C ATOM 1266 O ASP A 76 -2.741 -9.245 16.943 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.434 -11.870 17.951 1.00 0.00 C ATOM 1268 CG ASP A 76 0.016 -11.546 17.611 1.00 0.00 C ATOM 1269 OD1 ASP A 76 0.935 -11.872 18.388 1.00 0.00 O ATOM 1270 OD2 ASP A 76 0.273 -11.073 16.486 1.00 0.00 O ATOM 0 H ASP A 76 -3.952 -11.610 17.823 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.774 -10.673 19.711 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.446 -12.793 18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.961 -12.072 17.019 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.804 -8.371 18.804 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.766 -6.959 18.312 1.00 0.00 C ATOM 1277 C ILE A 77 -0.282 -6.492 18.494 1.00 0.00 C ATOM 1278 O ILE A 77 0.134 -6.089 19.585 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.853 -6.080 19.043 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -4.328 -6.548 18.806 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.763 -4.578 18.670 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -5.312 -6.247 19.950 1.00 0.00 C ATOM 0 H ILE A 77 -1.442 -8.483 19.751 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.036 -6.856 17.261 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.613 -6.219 20.097 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.699 -6.074 17.897 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.325 -7.623 18.627 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.535 -4.024 19.203 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.782 -4.192 18.948 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.908 -4.460 17.596 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.304 -6.612 19.683 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.975 -6.744 20.860 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.355 -5.171 20.119 1.00 0.00 H new ATOM 1294 N ASN A 78 0.534 -6.609 17.432 1.00 0.00 N ATOM 1295 CA ASN A 78 2.017 -6.681 17.555 1.00 0.00 C ATOM 1296 C ASN A 78 2.673 -5.355 17.038 1.00 0.00 C ATOM 1297 O ASN A 78 2.808 -5.126 15.831 1.00 0.00 O ATOM 1298 CB ASN A 78 2.431 -7.979 16.795 1.00 0.00 C ATOM 1299 CG ASN A 78 3.798 -8.569 17.145 1.00 0.00 C ATOM 1300 OD1 ASN A 78 4.783 -7.874 17.368 1.00 0.00 O ATOM 1301 ND2 ASN A 78 3.924 -9.873 17.164 1.00 0.00 N ATOM 0 H ASN A 78 0.198 -6.657 16.470 1.00 0.00 H new ATOM 0 HA ASN A 78 2.373 -6.752 18.583 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.673 -8.740 16.982 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.414 -7.768 15.726 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.831 -10.295 17.362 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.115 -10.466 16.981 1.00 0.00 H new ATOM 1308 N VAL A 79 3.041 -4.465 17.976 1.00 0.00 N ATOM 1309 CA VAL A 79 3.295 -3.017 17.684 1.00 0.00 C ATOM 1310 C VAL A 79 4.834 -2.714 17.618 1.00 0.00 C ATOM 1311 O VAL A 79 5.569 -3.013 18.566 1.00 0.00 O ATOM 1312 CB VAL A 79 2.589 -2.124 18.777 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.687 -0.606 18.483 1.00 0.00 C ATOM 1314 CG2 VAL A 79 1.089 -2.427 19.032 1.00 0.00 C ATOM 0 H VAL A 79 3.174 -4.713 18.956 1.00 0.00 H new ATOM 0 HA VAL A 79 2.875 -2.778 16.707 1.00 0.00 H new ATOM 0 HB VAL A 79 3.155 -2.395 19.668 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.182 -0.049 19.272 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.735 -0.310 18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.213 -0.389 17.526 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.708 -1.755 19.801 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.526 -2.280 18.110 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.978 -3.459 19.365 1.00 0.00 H new ATOM 1324 N ARG A 80 5.306 -2.043 16.547 1.00 0.00 N ATOM 1325 CA ARG A 80 6.655 -1.393 16.516 1.00 0.00 C ATOM 1326 C ARG A 80 6.586 -0.013 15.785 1.00 0.00 C ATOM 1327 O ARG A 80 6.176 0.063 14.621 1.00 0.00 O ATOM 1328 CB ARG A 80 7.710 -2.336 15.855 1.00 0.00 C ATOM 1329 CG ARG A 80 8.461 -3.236 16.870 1.00 0.00 C ATOM 1330 CD ARG A 80 9.179 -4.478 16.289 1.00 0.00 C ATOM 1331 NE ARG A 80 8.311 -5.470 15.581 1.00 0.00 N ATOM 1332 CZ ARG A 80 7.337 -6.198 16.132 1.00 0.00 C ATOM 1333 NH1 ARG A 80 6.972 -6.109 17.384 1.00 0.00 N ATOM 1334 NH2 ARG A 80 6.699 -7.055 15.392 1.00 0.00 N ATOM 0 H ARG A 80 4.777 -1.931 15.682 1.00 0.00 H new ATOM 0 HA ARG A 80 6.973 -1.210 17.543 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.210 -2.969 15.122 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.436 -1.731 15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.201 -2.624 17.387 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.747 -3.574 17.620 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.947 -4.137 15.594 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.691 -4.990 17.103 1.00 0.00 H new ATOM 0 HE ARG A 80 8.479 -5.602 14.584 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.441 -5.451 18.006 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.218 -6.697 17.738 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.946 -7.162 14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.952 -7.620 15.795 1.00 0.00 H new ATOM 1348 N VAL A 81 7.034 1.075 16.446 1.00 0.00 N ATOM 1349 CA VAL A 81 7.174 2.418 15.814 1.00 0.00 C ATOM 1350 C VAL A 81 8.606 2.635 15.209 1.00 0.00 C ATOM 1351 O VAL A 81 9.612 2.553 15.923 1.00 0.00 O ATOM 1352 CB VAL A 81 6.700 3.525 16.819 1.00 0.00 C ATOM 1353 CG1 VAL A 81 7.613 3.789 18.041 1.00 0.00 C ATOM 1354 CG2 VAL A 81 6.467 4.873 16.113 1.00 0.00 C ATOM 0 H VAL A 81 7.309 1.055 17.428 1.00 0.00 H new ATOM 0 HA VAL A 81 6.516 2.490 14.948 1.00 0.00 H new ATOM 0 HB VAL A 81 5.774 3.100 17.206 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.177 4.574 18.658 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.707 2.876 18.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.599 4.103 17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.140 5.614 16.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.395 5.206 15.649 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.701 4.755 15.347 1.00 0.00 H new ATOM 1364 N ASN A 82 8.699 2.952 13.903 1.00 0.00 N ATOM 1365 CA ASN A 82 9.973 3.408 13.271 1.00 0.00 C ATOM 1366 C ASN A 82 10.000 4.971 13.207 1.00 0.00 C ATOM 1367 O ASN A 82 9.562 5.580 12.225 1.00 0.00 O ATOM 1368 CB ASN A 82 10.122 2.685 11.905 1.00 0.00 C ATOM 1369 CG ASN A 82 11.464 2.918 11.199 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.529 2.624 11.732 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.478 3.439 9.996 1.00 0.00 N ATOM 0 H ASN A 82 7.912 2.904 13.256 1.00 0.00 H new ATOM 0 HA ASN A 82 10.849 3.138 13.860 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.990 1.614 12.060 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.318 3.014 11.246 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.365 3.594 9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.601 3.689 9.538 1.00 0.00 H new ATOM 1378 N GLY A 83 10.476 5.622 14.288 1.00 0.00 N ATOM 1379 CA GLY A 83 10.411 7.106 14.422 1.00 0.00 C ATOM 1380 C GLY A 83 8.996 7.641 14.716 1.00 0.00 C ATOM 1381 O GLY A 83 8.563 7.666 15.869 1.00 0.00 O ATOM 0 H GLY A 83 10.910 5.152 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.082 7.419 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.778 7.561 13.502 1.00 0.00 H new ATOM 1385 N THR A 84 8.275 8.016 13.654 1.00 0.00 N ATOM 1386 CA THR A 84 6.792 8.241 13.708 1.00 0.00 C ATOM 1387 C THR A 84 5.919 7.171 12.942 1.00 0.00 C ATOM 1388 O THR A 84 4.687 7.257 12.994 1.00 0.00 O ATOM 1389 CB THR A 84 6.431 9.681 13.228 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.675 9.841 11.833 1.00 0.00 O ATOM 1391 CG2 THR A 84 7.124 10.841 13.959 1.00 0.00 C ATOM 0 H THR A 84 8.681 8.176 12.732 1.00 0.00 H new ATOM 0 HA THR A 84 6.533 8.120 14.760 1.00 0.00 H new ATOM 0 HB THR A 84 5.371 9.750 13.471 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.281 10.685 11.527 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.791 11.789 13.535 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.869 10.808 15.018 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.204 10.751 13.843 1.00 0.00 H new ATOM 1399 N GLU A 85 6.510 6.172 12.250 1.00 0.00 N ATOM 1400 CA GLU A 85 5.767 5.151 11.464 1.00 0.00 C ATOM 1401 C GLU A 85 5.258 4.000 12.387 1.00 0.00 C ATOM 1402 O GLU A 85 6.026 3.113 12.776 1.00 0.00 O ATOM 1403 CB GLU A 85 6.680 4.557 10.358 1.00 0.00 C ATOM 1404 CG GLU A 85 7.223 5.506 9.262 1.00 0.00 C ATOM 1405 CD GLU A 85 8.159 4.823 8.272 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.134 4.164 8.698 1.00 0.00 O ATOM 1407 OE2 GLU A 85 7.926 4.968 7.056 1.00 0.00 O ATOM 0 H GLU A 85 7.522 6.047 12.218 1.00 0.00 H new ATOM 0 HA GLU A 85 4.908 5.640 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.536 4.092 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.125 3.760 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.383 5.936 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.751 6.332 9.738 1.00 0.00 H new ATOM 1414 N VAL A 86 3.965 4.010 12.741 1.00 0.00 N ATOM 1415 CA VAL A 86 3.379 3.010 13.686 1.00 0.00 C ATOM 1416 C VAL A 86 2.956 1.739 12.876 1.00 0.00 C ATOM 1417 O VAL A 86 1.903 1.715 12.229 1.00 0.00 O ATOM 1418 CB VAL A 86 2.262 3.690 14.555 1.00 0.00 C ATOM 1419 CG1 VAL A 86 1.392 2.718 15.379 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.817 4.744 15.537 1.00 0.00 C ATOM 0 H VAL A 86 3.293 4.695 12.394 1.00 0.00 H new ATOM 0 HA VAL A 86 4.104 2.654 14.418 1.00 0.00 H new ATOM 0 HB VAL A 86 1.637 4.159 13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.651 3.283 15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.885 2.025 14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.025 2.158 16.068 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.996 5.177 16.108 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.523 4.270 16.219 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.325 5.530 14.978 1.00 0.00 H new ATOM 1430 N LYS A 87 3.798 0.689 12.922 1.00 0.00 N ATOM 1431 CA LYS A 87 3.534 -0.608 12.247 1.00 0.00 C ATOM 1432 C LYS A 87 2.870 -1.594 13.257 1.00 0.00 C ATOM 1433 O LYS A 87 3.545 -2.188 14.107 1.00 0.00 O ATOM 1434 CB LYS A 87 4.875 -1.088 11.619 1.00 0.00 C ATOM 1435 CG LYS A 87 4.792 -2.317 10.676 1.00 0.00 C ATOM 1436 CD LYS A 87 5.172 -3.657 11.343 1.00 0.00 C ATOM 1437 CE LYS A 87 5.016 -4.843 10.371 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.305 -6.127 11.062 1.00 0.00 N ATOM 0 H LYS A 87 4.684 0.711 13.428 1.00 0.00 H new ATOM 0 HA LYS A 87 2.817 -0.529 11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.308 -0.258 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.566 -1.324 12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.777 -2.393 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.449 -2.150 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.202 -3.609 11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.543 -3.819 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.003 -4.860 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.692 -4.719 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.897 -6.914 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.334 -6.256 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.886 -6.111 12.014 1.00 0.00 H new ATOM 1452 N ILE A 88 1.537 -1.753 13.155 1.00 0.00 N ATOM 1453 CA ILE A 88 0.760 -2.704 14.009 1.00 0.00 C ATOM 1454 C ILE A 88 0.442 -3.954 13.129 1.00 0.00 C ATOM 1455 O ILE A 88 -0.400 -3.880 12.226 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.533 -2.048 14.618 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.261 -0.740 15.418 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.289 -3.051 15.534 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.489 0.155 15.644 1.00 0.00 C ATOM 0 H ILE A 88 0.962 -1.237 12.489 1.00 0.00 H new ATOM 0 HA ILE A 88 1.349 -2.997 14.878 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.147 -1.781 13.758 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.158 -1.007 16.388 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.498 -0.162 14.891 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.179 -2.572 15.942 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.582 -3.925 14.953 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.637 -3.360 16.351 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.196 1.039 16.210 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.899 0.460 14.681 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.245 -0.398 16.202 1.00 0.00 H new ATOM 1471 N GLU A 89 1.091 -5.097 13.413 1.00 0.00 N ATOM 1472 CA GLU A 89 0.734 -6.396 12.781 1.00 0.00 C ATOM 1473 C GLU A 89 -0.245 -7.190 13.685 1.00 0.00 C ATOM 1474 O GLU A 89 0.106 -7.617 14.786 1.00 0.00 O ATOM 1475 CB GLU A 89 2.026 -7.158 12.404 1.00 0.00 C ATOM 1476 CG GLU A 89 1.801 -8.463 11.585 1.00 0.00 C ATOM 1477 CD GLU A 89 2.993 -9.027 10.821 1.00 0.00 C ATOM 1478 OE1 GLU A 89 3.959 -8.287 10.522 1.00 0.00 O ATOM 1479 OE2 GLU A 89 2.939 -10.224 10.470 1.00 0.00 O ATOM 0 H GLU A 89 1.866 -5.156 14.074 1.00 0.00 H new ATOM 0 HA GLU A 89 0.192 -6.235 11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.669 -6.492 11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.563 -7.408 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.445 -9.233 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.000 -8.278 10.870 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.479 -7.394 13.206 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.465 -8.272 13.891 1.00 0.00 C ATOM 1488 C VAL A 90 -2.491 -9.705 13.303 1.00 0.00 C ATOM 1489 O VAL A 90 -2.410 -9.899 12.088 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.906 -7.685 13.955 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -4.022 -6.594 15.017 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.516 -7.200 12.628 1.00 0.00 C ATOM 0 H VAL A 90 -1.828 -6.968 12.348 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.106 -8.326 14.919 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.507 -8.551 14.231 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.041 -6.208 15.032 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.777 -7.010 15.994 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.331 -5.784 14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.520 -6.815 12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.894 -6.409 12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.567 -8.032 11.926 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.675 -10.696 14.191 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.871 -12.116 13.792 1.00 0.00 C ATOM 1504 C ARG A 91 -4.133 -12.677 14.529 1.00 0.00 C ATOM 1505 O ARG A 91 -4.246 -12.585 15.757 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.586 -12.952 14.070 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.305 -12.475 13.331 1.00 0.00 C ATOM 1508 CD ARG A 91 0.986 -13.259 13.639 1.00 0.00 C ATOM 1509 NE ARG A 91 1.450 -12.984 15.028 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.452 -13.601 15.651 1.00 0.00 C ATOM 1511 NH1 ARG A 91 3.245 -14.459 15.061 1.00 0.00 N ATOM 1512 NH2 ARG A 91 2.659 -13.341 16.911 1.00 0.00 N ATOM 0 H ARG A 91 -2.693 -10.546 15.200 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.047 -12.185 12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.391 -12.941 15.142 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.780 -13.988 13.792 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.489 -12.525 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.137 -11.427 13.577 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.807 -14.327 13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.764 -12.981 12.928 1.00 0.00 H new ATOM 0 HE ARG A 91 0.956 -12.259 15.548 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.110 -14.684 14.075 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.998 -14.903 15.587 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.059 -12.676 17.400 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.421 -13.802 17.408 1.00 0.00 H new ATOM 1526 N VAL A 92 -5.091 -13.280 13.791 1.00 0.00 N ATOM 1527 CA VAL A 92 -6.376 -13.787 14.374 1.00 0.00 C ATOM 1528 C VAL A 92 -6.132 -15.015 15.290 1.00 0.00 C ATOM 1529 O VAL A 92 -5.682 -16.097 14.901 1.00 0.00 O ATOM 1530 CB VAL A 92 -7.466 -14.049 13.275 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.778 -14.691 13.795 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.905 -12.767 12.533 1.00 0.00 C ATOM 0 H VAL A 92 -5.008 -13.433 12.786 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.783 -12.999 15.007 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.947 -14.743 12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.468 -14.833 12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.555 -15.656 14.250 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.234 -14.036 14.537 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.659 -13.018 11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.323 -12.058 13.248 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.043 -12.319 12.040 1.00 0.00 H new