USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 MET CE :methyl -169:sc= -0.29 (180deg=-0.557) USER MOD Set 2.1: A 39 ASN : amide:sc= -12.2! C(o=-18!,f=-15!) USER MOD Set 2.2: A 42 GLN : amide:sc= -5.54! C(o=-18!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 16 CYS SG : rot -19:sc= -1.09 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= -0.123 (180deg=-0.706) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 21 TYR OH : rot 150:sc= -0.999 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.946) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.87! C(o=-2.9!,f=-7.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.67 K(o=-1.7,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -137:sc= -2.85 (180deg=-5.44!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -61:sc= 1.11 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.772 (180deg=-1.02!) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.11 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.285 19.204 28.141 1.00 0.00 N ATOM 2 CA GLY A 1 -9.587 19.360 26.878 1.00 0.00 C ATOM 3 C GLY A 1 -8.206 18.736 26.897 1.00 0.00 C ATOM 4 O GLY A 1 -7.423 18.973 27.818 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.224 19.647 28.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.394 18.192 28.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.738 19.661 28.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.177 18.905 26.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.500 20.421 26.644 1.00 0.00 H new ATOM 8 N SER A 2 -7.905 17.936 25.880 1.00 0.00 N ATOM 9 CA SER A 2 -6.611 17.271 25.787 1.00 0.00 C ATOM 10 C SER A 2 -6.112 17.254 24.345 1.00 0.00 C ATOM 11 O SER A 2 -6.869 16.966 23.418 1.00 0.00 O ATOM 12 CB SER A 2 -6.708 15.842 26.323 1.00 0.00 C ATOM 13 OG SER A 2 -5.452 15.389 26.799 1.00 0.00 O ATOM 0 H SER A 2 -8.540 17.732 25.108 1.00 0.00 H new ATOM 0 HA SER A 2 -5.898 17.830 26.393 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.442 15.801 27.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.063 15.178 25.535 1.00 0.00 H new ATOM 0 HG SER A 2 -5.541 14.474 27.138 1.00 0.00 H new ATOM 19 N SER A 3 -4.832 17.563 24.165 1.00 0.00 N ATOM 20 CA SER A 3 -4.232 17.587 22.836 1.00 0.00 C ATOM 21 C SER A 3 -4.361 16.227 22.156 1.00 0.00 C ATOM 22 O SER A 3 -3.961 15.204 22.711 1.00 0.00 O ATOM 23 CB SER A 3 -2.758 17.987 22.926 1.00 0.00 C ATOM 24 OG SER A 3 -2.603 19.392 22.827 1.00 0.00 O ATOM 0 H SER A 3 -4.191 17.800 24.922 1.00 0.00 H new ATOM 0 HA SER A 3 -4.766 18.325 22.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.340 17.638 23.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.196 17.499 22.129 1.00 0.00 H new ATOM 0 HG SER A 3 -1.652 19.621 22.889 1.00 0.00 H new ATOM 30 N GLY A 4 -4.923 16.225 20.952 1.00 0.00 N ATOM 31 CA GLY A 4 -5.097 14.986 20.216 1.00 0.00 C ATOM 32 C GLY A 4 -4.175 14.892 19.016 1.00 0.00 C ATOM 33 O GLY A 4 -4.101 15.817 18.207 1.00 0.00 O ATOM 0 H GLY A 4 -5.261 17.059 20.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.911 14.143 20.881 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.132 14.907 19.883 1.00 0.00 H new ATOM 37 N SER A 5 -3.471 13.770 18.900 1.00 0.00 N ATOM 38 CA SER A 5 -2.545 13.561 17.793 1.00 0.00 C ATOM 39 C SER A 5 -2.747 12.183 17.170 1.00 0.00 C ATOM 40 O SER A 5 -2.290 11.174 17.708 1.00 0.00 O ATOM 41 CB SER A 5 -1.100 13.710 18.272 1.00 0.00 C ATOM 42 OG SER A 5 -0.763 15.074 18.461 1.00 0.00 O ATOM 0 H SER A 5 -3.524 12.993 19.558 1.00 0.00 H new ATOM 0 HA SER A 5 -2.747 14.317 17.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.966 13.166 19.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.424 13.263 17.543 1.00 0.00 H new ATOM 0 HG SER A 5 0.165 15.142 18.769 1.00 0.00 H new ATOM 48 N SER A 6 -3.434 12.148 16.033 1.00 0.00 N ATOM 49 CA SER A 6 -3.700 10.894 15.338 1.00 0.00 C ATOM 50 C SER A 6 -2.408 10.286 14.801 1.00 0.00 C ATOM 51 O SER A 6 -2.123 9.109 15.023 1.00 0.00 O ATOM 52 CB SER A 6 -4.685 11.122 14.190 1.00 0.00 C ATOM 53 OG SER A 6 -5.176 9.891 13.687 1.00 0.00 O ATOM 0 H SER A 6 -3.817 12.974 15.573 1.00 0.00 H new ATOM 0 HA SER A 6 -4.140 10.198 16.052 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.517 11.735 14.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.194 11.675 13.390 1.00 0.00 H new ATOM 0 HG SER A 6 -5.805 10.064 12.955 1.00 0.00 H new ATOM 59 N GLY A 7 -1.629 11.097 14.092 1.00 0.00 N ATOM 60 CA GLY A 7 -0.376 10.622 13.534 1.00 0.00 C ATOM 61 C GLY A 7 -0.567 9.894 12.219 1.00 0.00 C ATOM 62 O GLY A 7 0.265 9.999 11.317 1.00 0.00 O ATOM 0 H GLY A 7 -1.843 12.074 13.894 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.295 11.468 13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.107 9.955 14.248 1.00 0.00 H new ATOM 66 N ILE A 8 -1.663 9.152 12.109 1.00 0.00 N ATOM 67 CA ILE A 8 -1.959 8.402 10.894 1.00 0.00 C ATOM 68 C ILE A 8 -1.543 9.182 9.652 1.00 0.00 C ATOM 69 O ILE A 8 -1.806 10.379 9.539 1.00 0.00 O ATOM 70 CB ILE A 8 -3.458 8.062 10.795 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.867 7.122 11.930 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.770 7.435 9.443 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.365 6.978 12.086 1.00 0.00 C ATOM 0 H ILE A 8 -2.361 9.054 12.846 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.387 7.476 10.947 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.031 8.984 10.888 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.432 6.139 11.751 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.446 7.491 12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.833 7.200 9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.511 8.135 8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.189 6.520 9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.581 6.297 12.909 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.804 7.953 12.297 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.790 6.580 11.165 1.00 0.00 H new ATOM 85 N VAL A 9 -0.891 8.494 8.719 1.00 0.00 N ATOM 86 CA VAL A 9 -0.440 9.121 7.482 1.00 0.00 C ATOM 87 C VAL A 9 -0.527 8.150 6.311 1.00 0.00 C ATOM 88 O VAL A 9 -0.286 6.951 6.464 1.00 0.00 O ATOM 89 CB VAL A 9 1.007 9.631 7.607 1.00 0.00 C ATOM 90 CG1 VAL A 9 1.985 8.466 7.607 1.00 0.00 C ATOM 91 CG2 VAL A 9 1.327 10.606 6.485 1.00 0.00 C ATOM 0 H VAL A 9 -0.664 7.503 8.797 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.100 9.968 7.297 1.00 0.00 H new ATOM 0 HB VAL A 9 1.107 10.159 8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.003 8.845 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.768 7.809 8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.886 7.908 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.354 10.956 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.210 10.106 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.647 11.456 6.537 1.00 0.00 H new ATOM 101 N LEU A 10 -0.871 8.673 5.139 1.00 0.00 N ATOM 102 CA LEU A 10 -0.989 7.852 3.940 1.00 0.00 C ATOM 103 C LEU A 10 0.106 6.789 3.897 1.00 0.00 C ATOM 104 O LEU A 10 -0.109 5.682 3.402 1.00 0.00 O ATOM 105 CB LEU A 10 -0.911 8.729 2.688 1.00 0.00 C ATOM 106 CG LEU A 10 -2.237 9.304 2.190 1.00 0.00 C ATOM 107 CD1 LEU A 10 -2.639 10.515 3.017 1.00 0.00 C ATOM 108 CD2 LEU A 10 -2.138 9.672 0.717 1.00 0.00 C ATOM 0 H LEU A 10 -1.073 9.662 4.994 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.957 7.351 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.232 9.557 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.467 8.142 1.884 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.007 8.541 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.585 10.910 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.751 10.222 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.869 11.282 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.091 10.080 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.355 10.418 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.897 8.782 0.135 1.00 0.00 H new ATOM 120 N LEU A 11 1.276 7.132 4.422 1.00 0.00 N ATOM 121 CA LEU A 11 2.404 6.207 4.446 1.00 0.00 C ATOM 122 C LEU A 11 2.025 4.906 5.147 1.00 0.00 C ATOM 123 O LEU A 11 2.171 3.821 4.584 1.00 0.00 O ATOM 124 CB LEU A 11 3.601 6.849 5.150 1.00 0.00 C ATOM 125 CG LEU A 11 4.981 6.401 4.670 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.213 4.935 5.002 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.129 6.641 3.173 1.00 0.00 C ATOM 0 H LEU A 11 1.469 8.044 4.837 1.00 0.00 H new ATOM 0 HA LEU A 11 2.677 5.978 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.530 7.930 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.524 6.640 6.217 1.00 0.00 H new ATOM 0 HG LEU A 11 5.735 6.993 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.201 4.635 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.151 4.792 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.454 4.326 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.118 6.316 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.367 6.075 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.008 7.703 2.961 1.00 0.00 H new ATOM 139 N ARG A 12 1.537 5.024 6.377 1.00 0.00 N ATOM 140 CA ARG A 12 1.136 3.857 7.155 1.00 0.00 C ATOM 141 C ARG A 12 0.533 2.784 6.253 1.00 0.00 C ATOM 142 O ARG A 12 0.677 1.590 6.512 1.00 0.00 O ATOM 143 CB ARG A 12 0.128 4.257 8.234 1.00 0.00 C ATOM 144 CG ARG A 12 0.034 3.263 9.379 1.00 0.00 C ATOM 145 CD ARG A 12 -0.672 3.866 10.583 1.00 0.00 C ATOM 146 NE ARG A 12 -0.368 3.142 11.814 1.00 0.00 N ATOM 147 CZ ARG A 12 -0.870 1.946 12.106 1.00 0.00 C ATOM 148 NH1 ARG A 12 -1.692 1.344 11.258 1.00 0.00 N ATOM 149 NH2 ARG A 12 -0.546 1.350 13.247 1.00 0.00 N ATOM 0 H ARG A 12 1.410 5.915 6.857 1.00 0.00 H new ATOM 0 HA ARG A 12 2.026 3.448 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.404 5.233 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.856 4.366 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.504 2.375 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.035 2.941 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.375 4.909 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.749 3.858 10.414 1.00 0.00 H new ATOM 0 HE ARG A 12 0.264 3.577 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.941 1.798 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.076 0.426 11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.088 1.810 13.900 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.931 0.432 13.470 1.00 0.00 H new ATOM 163 N GLY A 13 -0.142 3.218 5.194 1.00 0.00 N ATOM 164 CA GLY A 13 -0.757 2.283 4.271 1.00 0.00 C ATOM 165 C GLY A 13 0.073 1.030 4.076 1.00 0.00 C ATOM 166 O GLY A 13 -0.468 -0.054 3.850 1.00 0.00 O ATOM 0 H GLY A 13 -0.274 4.202 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.744 2.007 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.904 2.771 3.308 1.00 0.00 H new ATOM 170 N LEU A 14 1.391 1.177 4.162 1.00 0.00 N ATOM 171 CA LEU A 14 2.298 0.047 3.992 1.00 0.00 C ATOM 172 C LEU A 14 2.477 -0.711 5.303 1.00 0.00 C ATOM 173 O LEU A 14 2.217 -1.911 5.378 1.00 0.00 O ATOM 174 CB LEU A 14 3.656 0.531 3.480 1.00 0.00 C ATOM 175 CG LEU A 14 3.627 1.409 2.228 1.00 0.00 C ATOM 176 CD1 LEU A 14 5.006 1.990 1.953 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.134 0.612 1.030 1.00 0.00 C ATOM 0 H LEU A 14 1.855 2.066 4.348 1.00 0.00 H new ATOM 0 HA LEU A 14 1.860 -0.631 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.146 1.088 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.276 -0.341 3.273 1.00 0.00 H new ATOM 0 HG LEU A 14 2.935 2.233 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.967 2.612 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.322 2.595 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.719 1.179 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.120 1.252 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.801 -0.232 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.127 0.244 1.227 1.00 0.00 H new ATOM 189 N GLU A 15 2.919 0.000 6.336 1.00 0.00 N ATOM 190 CA GLU A 15 3.131 -0.606 7.645 1.00 0.00 C ATOM 191 C GLU A 15 1.912 -1.420 8.072 1.00 0.00 C ATOM 192 O GLU A 15 2.043 -2.539 8.568 1.00 0.00 O ATOM 193 CB GLU A 15 3.428 0.473 8.689 1.00 0.00 C ATOM 194 CG GLU A 15 4.806 1.096 8.546 1.00 0.00 C ATOM 195 CD GLU A 15 5.170 1.982 9.722 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.717 1.456 10.714 1.00 0.00 O ATOM 197 OE2 GLU A 15 4.909 3.201 9.649 1.00 0.00 O ATOM 0 H GLU A 15 3.137 0.995 6.291 1.00 0.00 H new ATOM 0 HA GLU A 15 3.987 -1.277 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.675 1.257 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.337 0.038 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.550 0.305 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.842 1.683 7.628 1.00 0.00 H new ATOM 204 N CYS A 16 0.729 -0.849 7.875 1.00 0.00 N ATOM 205 CA CYS A 16 -0.513 -1.520 8.240 1.00 0.00 C ATOM 206 C CYS A 16 -0.441 -3.010 7.919 1.00 0.00 C ATOM 207 O CYS A 16 -0.537 -3.852 8.813 1.00 0.00 O ATOM 208 CB CYS A 16 -1.696 -0.885 7.505 1.00 0.00 C ATOM 209 SG CYS A 16 -3.297 -1.620 7.910 1.00 0.00 S ATOM 0 H CYS A 16 0.604 0.076 7.465 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.657 -1.404 9.314 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.727 0.179 7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.531 -0.970 6.431 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.115 -2.794 8.437 1.00 0.00 H new ATOM 215 N ILE A 17 -0.273 -3.328 6.640 1.00 0.00 N ATOM 216 CA ILE A 17 -0.188 -4.716 6.203 1.00 0.00 C ATOM 217 C ILE A 17 1.063 -5.391 6.755 1.00 0.00 C ATOM 218 O ILE A 17 2.102 -4.753 6.922 1.00 0.00 O ATOM 219 CB ILE A 17 -0.180 -4.822 4.668 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.940 -3.962 4.080 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.529 -4.405 4.100 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.213 -4.240 2.619 1.00 0.00 C ATOM 0 H ILE A 17 -0.193 -2.643 5.888 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.072 -5.224 6.590 1.00 0.00 H new ATOM 0 HB ILE A 17 0.003 -5.861 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.680 -2.910 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.854 -4.130 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.507 -4.486 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.308 -5.057 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.740 -3.374 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.019 -3.594 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.505 -5.283 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.313 -4.044 2.037 1.00 0.00 H new ATOM 234 N ASN A 18 0.956 -6.685 7.035 1.00 0.00 N ATOM 235 CA ASN A 18 2.080 -7.447 7.568 1.00 0.00 C ATOM 236 C ASN A 18 3.052 -7.832 6.456 1.00 0.00 C ATOM 237 O ASN A 18 2.656 -8.010 5.304 1.00 0.00 O ATOM 238 CB ASN A 18 1.578 -8.706 8.278 1.00 0.00 C ATOM 239 CG ASN A 18 1.029 -8.409 9.661 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.316 -7.425 9.860 1.00 0.00 O ATOM 241 ND2 ASN A 18 1.360 -9.261 10.625 1.00 0.00 N ATOM 0 H ASN A 18 0.103 -7.228 6.902 1.00 0.00 H new ATOM 0 HA ASN A 18 2.606 -6.817 8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.801 -9.175 7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.394 -9.424 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.021 -9.113 11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.954 -10.063 10.415 1.00 0.00 H new ATOM 248 N LYS A 19 4.326 -7.958 6.809 1.00 0.00 N ATOM 249 CA LYS A 19 5.356 -8.322 5.844 1.00 0.00 C ATOM 250 C LYS A 19 4.814 -9.312 4.818 1.00 0.00 C ATOM 251 O LYS A 19 5.030 -9.155 3.616 1.00 0.00 O ATOM 252 CB LYS A 19 6.566 -8.926 6.561 1.00 0.00 C ATOM 253 CG LYS A 19 7.608 -7.898 6.966 1.00 0.00 C ATOM 254 CD LYS A 19 7.152 -7.084 8.166 1.00 0.00 C ATOM 255 CE LYS A 19 8.331 -6.466 8.900 1.00 0.00 C ATOM 256 NZ LYS A 19 9.249 -7.503 9.449 1.00 0.00 N ATOM 0 H LYS A 19 4.671 -7.813 7.758 1.00 0.00 H new ATOM 0 HA LYS A 19 5.666 -7.417 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.224 -9.454 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.032 -9.666 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.545 -8.402 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.807 -7.231 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.474 -6.297 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.591 -7.723 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.882 -5.817 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.964 -5.839 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.427 -7.311 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.813 -8.442 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.149 -7.481 8.928 1.00 0.00 H new ATOM 270 N HIS A 20 4.108 -10.331 5.300 1.00 0.00 N ATOM 271 CA HIS A 20 3.534 -11.344 4.424 1.00 0.00 C ATOM 272 C HIS A 20 2.961 -10.710 3.160 1.00 0.00 C ATOM 273 O HIS A 20 3.409 -11.000 2.050 1.00 0.00 O ATOM 274 CB HIS A 20 2.441 -12.122 5.158 1.00 0.00 C ATOM 275 CG HIS A 20 1.661 -13.043 4.269 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.255 -13.900 3.367 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.327 -13.238 4.148 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.320 -14.582 2.730 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.141 -14.199 3.185 1.00 0.00 N ATOM 0 H HIS A 20 3.921 -10.476 6.292 1.00 0.00 H new ATOM 0 HA HIS A 20 4.329 -12.031 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.896 -12.703 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.756 -11.416 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.447 -12.732 4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.491 -15.327 1.967 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.761 -14.558 2.872 1.00 0.00 H new ATOM 288 N TYR A 21 1.969 -9.844 3.336 1.00 0.00 N ATOM 289 CA TYR A 21 1.334 -9.171 2.209 1.00 0.00 C ATOM 290 C TYR A 21 2.285 -8.165 1.568 1.00 0.00 C ATOM 291 O TYR A 21 2.395 -8.091 0.344 1.00 0.00 O ATOM 292 CB TYR A 21 0.057 -8.462 2.666 1.00 0.00 C ATOM 293 CG TYR A 21 -1.132 -9.386 2.804 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.570 -10.152 1.731 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.818 -9.493 4.007 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.656 -10.997 1.852 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.903 -10.336 4.139 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.320 -11.086 3.058 1.00 0.00 C ATOM 299 OH TYR A 21 -4.402 -11.925 3.185 1.00 0.00 O ATOM 0 H TYR A 21 1.587 -9.592 4.248 1.00 0.00 H new ATOM 0 HA TYR A 21 1.078 -9.926 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.243 -7.978 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.186 -7.674 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.052 -10.086 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.497 -8.906 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.983 -11.585 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.423 -10.408 5.083 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.460 -12.247 4.109 1.00 0.00 H new ATOM 309 N PHE A 22 2.972 -7.395 2.404 1.00 0.00 N ATOM 310 CA PHE A 22 3.915 -6.393 1.921 1.00 0.00 C ATOM 311 C PHE A 22 4.750 -6.943 0.769 1.00 0.00 C ATOM 312 O PHE A 22 4.958 -6.267 -0.239 1.00 0.00 O ATOM 313 CB PHE A 22 4.832 -5.935 3.057 1.00 0.00 C ATOM 314 CG PHE A 22 5.800 -4.861 2.650 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.372 -3.765 1.916 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.138 -4.946 3.000 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.260 -2.775 1.541 1.00 0.00 C ATOM 318 CE2 PHE A 22 8.030 -3.958 2.627 1.00 0.00 C ATOM 319 CZ PHE A 22 7.591 -2.872 1.896 1.00 0.00 C ATOM 0 H PHE A 22 2.894 -7.445 3.420 1.00 0.00 H new ATOM 0 HA PHE A 22 3.344 -5.539 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.220 -5.568 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.390 -6.793 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.333 -3.684 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.488 -5.794 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.913 -1.926 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.070 -4.036 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.287 -2.100 1.603 1.00 0.00 H new ATOM 329 N SER A 23 5.227 -8.173 0.926 1.00 0.00 N ATOM 330 CA SER A 23 6.043 -8.814 -0.099 1.00 0.00 C ATOM 331 C SER A 23 5.336 -8.790 -1.450 1.00 0.00 C ATOM 332 O SER A 23 5.954 -8.528 -2.483 1.00 0.00 O ATOM 333 CB SER A 23 6.359 -10.257 0.299 1.00 0.00 C ATOM 334 OG SER A 23 7.483 -10.747 -0.410 1.00 0.00 O ATOM 0 H SER A 23 5.063 -8.746 1.753 1.00 0.00 H new ATOM 0 HA SER A 23 6.976 -8.257 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.551 -10.308 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.495 -10.890 0.099 1.00 0.00 H new ATOM 0 HG SER A 23 7.665 -11.670 -0.136 1.00 0.00 H new ATOM 340 N LEU A 24 4.036 -9.065 -1.436 1.00 0.00 N ATOM 341 CA LEU A 24 3.243 -9.076 -2.660 1.00 0.00 C ATOM 342 C LEU A 24 3.136 -7.674 -3.251 1.00 0.00 C ATOM 343 O LEU A 24 3.274 -7.487 -4.460 1.00 0.00 O ATOM 344 CB LEU A 24 1.845 -9.630 -2.380 1.00 0.00 C ATOM 345 CG LEU A 24 1.746 -11.148 -2.217 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.934 -11.542 -0.760 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.409 -11.654 -2.740 1.00 0.00 C ATOM 0 H LEU A 24 3.509 -9.283 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 24 3.745 -9.719 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.465 -9.161 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.186 -9.328 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 24 2.541 -11.610 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.860 -12.625 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.915 -11.213 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.161 -11.070 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.356 -12.736 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.401 -11.185 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.314 -11.405 -3.797 1.00 0.00 H new ATOM 359 N PHE A 25 2.891 -6.690 -2.392 1.00 0.00 N ATOM 360 CA PHE A 25 2.767 -5.305 -2.829 1.00 0.00 C ATOM 361 C PHE A 25 4.002 -4.869 -3.610 1.00 0.00 C ATOM 362 O PHE A 25 3.896 -4.271 -4.681 1.00 0.00 O ATOM 363 CB PHE A 25 2.560 -4.385 -1.624 1.00 0.00 C ATOM 364 CG PHE A 25 2.174 -2.983 -2.000 1.00 0.00 C ATOM 365 CD1 PHE A 25 0.996 -2.735 -2.687 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.989 -1.913 -1.668 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.637 -1.446 -3.034 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.636 -0.622 -2.013 1.00 0.00 C ATOM 369 CZ PHE A 25 1.459 -0.388 -2.697 1.00 0.00 C ATOM 0 H PHE A 25 2.774 -6.827 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 25 1.900 -5.233 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.786 -4.807 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.478 -4.356 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.351 -3.559 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.911 -2.090 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.285 -1.266 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.280 0.203 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.182 0.620 -2.968 1.00 0.00 H new ATOM 379 N LYS A 26 5.177 -5.172 -3.066 1.00 0.00 N ATOM 380 CA LYS A 26 6.435 -4.812 -3.710 1.00 0.00 C ATOM 381 C LYS A 26 6.540 -5.451 -5.091 1.00 0.00 C ATOM 382 O LYS A 26 7.101 -4.863 -6.016 1.00 0.00 O ATOM 383 CB LYS A 26 7.618 -5.249 -2.843 1.00 0.00 C ATOM 384 CG LYS A 26 8.023 -4.218 -1.804 1.00 0.00 C ATOM 385 CD LYS A 26 9.063 -4.773 -0.845 1.00 0.00 C ATOM 386 CE LYS A 26 8.470 -5.837 0.065 1.00 0.00 C ATOM 387 NZ LYS A 26 9.470 -6.354 1.040 1.00 0.00 N ATOM 0 H LYS A 26 5.284 -5.666 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 26 6.459 -3.729 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.363 -6.181 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.472 -5.459 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.421 -3.334 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.144 -3.899 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.892 -5.198 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.472 -3.963 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.619 -5.420 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.092 -6.662 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.133 -7.254 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.378 -6.507 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.597 -5.662 1.806 1.00 0.00 H new ATOM 401 N SER A 27 5.995 -6.656 -5.224 1.00 0.00 N ATOM 402 CA SER A 27 6.030 -7.375 -6.493 1.00 0.00 C ATOM 403 C SER A 27 5.193 -6.658 -7.547 1.00 0.00 C ATOM 404 O SER A 27 5.579 -6.575 -8.714 1.00 0.00 O ATOM 405 CB SER A 27 5.521 -8.805 -6.307 1.00 0.00 C ATOM 406 OG SER A 27 5.838 -9.609 -7.429 1.00 0.00 O ATOM 0 H SER A 27 5.524 -7.155 -4.469 1.00 0.00 H new ATOM 0 HA SER A 27 7.064 -7.407 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.963 -9.238 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.441 -8.793 -6.157 1.00 0.00 H new ATOM 0 HG SER A 27 5.503 -10.519 -7.285 1.00 0.00 H new ATOM 412 N LEU A 28 4.043 -6.139 -7.128 1.00 0.00 N ATOM 413 CA LEU A 28 3.150 -5.428 -8.035 1.00 0.00 C ATOM 414 C LEU A 28 3.754 -4.093 -8.460 1.00 0.00 C ATOM 415 O LEU A 28 3.565 -3.647 -9.592 1.00 0.00 O ATOM 416 CB LEU A 28 1.792 -5.197 -7.368 1.00 0.00 C ATOM 417 CG LEU A 28 1.104 -6.438 -6.800 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.078 -6.047 -5.747 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.446 -7.240 -7.915 1.00 0.00 C ATOM 0 H LEU A 28 3.708 -6.198 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 28 3.012 -6.042 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.924 -4.478 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.125 -4.738 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 28 1.860 -7.063 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.401 -6.944 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.574 -5.516 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.676 -5.400 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.039 -8.120 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.298 -6.622 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.203 -7.553 -8.634 1.00 0.00 H new ATOM 431 N LEU A 29 4.482 -3.461 -7.546 1.00 0.00 N ATOM 432 CA LEU A 29 5.117 -2.179 -7.826 1.00 0.00 C ATOM 433 C LEU A 29 6.485 -2.377 -8.471 1.00 0.00 C ATOM 434 O LEU A 29 6.973 -1.509 -9.194 1.00 0.00 O ATOM 435 CB LEU A 29 5.261 -1.366 -6.538 1.00 0.00 C ATOM 436 CG LEU A 29 4.072 -0.479 -6.167 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.829 0.566 -7.246 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.824 -1.322 -5.950 1.00 0.00 C ATOM 0 H LEU A 29 4.647 -3.816 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 29 4.482 -1.633 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.444 -2.057 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.145 -0.735 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 29 4.305 0.036 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.979 1.188 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.716 1.190 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.618 0.069 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.988 -0.674 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.588 -1.865 -6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.001 -2.032 -5.142 1.00 0.00 H new ATOM 450 N ALA A 30 7.097 -3.526 -8.206 1.00 0.00 N ATOM 451 CA ALA A 30 8.407 -3.841 -8.764 1.00 0.00 C ATOM 452 C ALA A 30 8.566 -3.246 -10.159 1.00 0.00 C ATOM 453 O ALA A 30 9.567 -2.593 -10.455 1.00 0.00 O ATOM 454 CB ALA A 30 8.615 -5.348 -8.804 1.00 0.00 C ATOM 0 H ALA A 30 6.707 -4.255 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 30 9.166 -3.398 -8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.597 -5.569 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.553 -5.751 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.845 -5.805 -9.425 1.00 0.00 H new ATOM 460 N ARG A 31 7.574 -3.476 -11.013 1.00 0.00 N ATOM 461 CA ARG A 31 7.605 -2.964 -12.377 1.00 0.00 C ATOM 462 C ARG A 31 7.643 -1.438 -12.385 1.00 0.00 C ATOM 463 O ARG A 31 8.494 -0.832 -13.037 1.00 0.00 O ATOM 464 CB ARG A 31 6.387 -3.458 -13.159 1.00 0.00 C ATOM 465 CG ARG A 31 5.162 -3.696 -12.291 1.00 0.00 C ATOM 466 CD ARG A 31 5.109 -5.129 -11.783 1.00 0.00 C ATOM 467 NE ARG A 31 4.382 -6.007 -12.696 1.00 0.00 N ATOM 468 CZ ARG A 31 3.056 -6.082 -12.744 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.317 -5.335 -11.934 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.468 -6.905 -13.602 1.00 0.00 N ATOM 0 H ARG A 31 6.738 -4.014 -10.784 1.00 0.00 H new ATOM 0 HA ARG A 31 8.511 -3.336 -12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.140 -2.728 -13.929 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.646 -4.385 -13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.175 -3.009 -11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.261 -3.478 -12.864 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.124 -5.504 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.631 -5.149 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 31 4.921 -6.595 -13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.766 -4.702 -11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.299 -5.394 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.034 -7.481 -14.226 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.450 -6.962 -13.638 1.00 0.00 H new ATOM 484 N ASP A 32 6.717 -0.826 -11.657 1.00 0.00 N ATOM 485 CA ASP A 32 6.645 0.629 -11.579 1.00 0.00 C ATOM 486 C ASP A 32 7.899 1.201 -10.927 1.00 0.00 C ATOM 487 O ASP A 32 8.636 1.973 -11.544 1.00 0.00 O ATOM 488 CB ASP A 32 5.405 1.058 -10.792 1.00 0.00 C ATOM 489 CG ASP A 32 4.117 0.763 -11.535 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.956 1.267 -12.667 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.270 0.028 -10.987 1.00 0.00 O ATOM 0 H ASP A 32 6.006 -1.314 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 32 6.575 1.020 -12.594 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.392 0.544 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.463 2.126 -10.582 1.00 0.00 H new ATOM 496 N LEU A 33 8.136 0.821 -9.677 1.00 0.00 N ATOM 497 CA LEU A 33 9.302 1.296 -8.940 1.00 0.00 C ATOM 498 C LEU A 33 10.575 0.621 -9.439 1.00 0.00 C ATOM 499 O LEU A 33 11.657 0.836 -8.895 1.00 0.00 O ATOM 500 CB LEU A 33 9.125 1.035 -7.443 1.00 0.00 C ATOM 501 CG LEU A 33 7.839 1.571 -6.815 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.630 0.974 -5.433 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.874 3.091 -6.742 1.00 0.00 C ATOM 0 H LEU A 33 7.536 0.185 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 33 9.394 2.369 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.166 -0.041 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.973 1.473 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 33 7.000 1.277 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.709 1.368 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.559 -0.111 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.472 1.236 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.950 3.455 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.722 3.407 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.974 3.501 -7.747 1.00 0.00 H new ATOM 515 N ASN A 34 10.437 -0.194 -10.480 1.00 0.00 N ATOM 516 CA ASN A 34 11.576 -0.900 -11.054 1.00 0.00 C ATOM 517 C ASN A 34 12.477 -1.461 -9.958 1.00 0.00 C ATOM 518 O ASN A 34 13.698 -1.304 -10.001 1.00 0.00 O ATOM 519 CB ASN A 34 12.380 0.036 -11.960 1.00 0.00 C ATOM 520 CG ASN A 34 11.819 0.100 -13.368 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.280 1.123 -13.787 1.00 0.00 O ATOM 522 ND2 ASN A 34 11.944 -0.998 -14.104 1.00 0.00 N ATOM 0 H ASN A 34 9.548 -0.382 -10.943 1.00 0.00 H new ATOM 0 HA ASN A 34 11.194 -1.731 -11.648 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.387 1.037 -11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.416 -0.302 -11.999 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.585 -1.016 -15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.399 -1.824 -13.715 1.00 0.00 H new ATOM 529 N LEU A 35 11.867 -2.117 -8.977 1.00 0.00 N ATOM 530 CA LEU A 35 12.614 -2.703 -7.868 1.00 0.00 C ATOM 531 C LEU A 35 13.469 -3.873 -8.346 1.00 0.00 C ATOM 532 O LEU A 35 13.516 -4.173 -9.539 1.00 0.00 O ATOM 533 CB LEU A 35 11.654 -3.173 -6.774 1.00 0.00 C ATOM 534 CG LEU A 35 10.573 -2.175 -6.355 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.532 -2.853 -5.478 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.194 -0.990 -5.630 1.00 0.00 C ATOM 0 H LEU A 35 10.858 -2.257 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 35 13.274 -1.937 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.165 -4.086 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.239 -3.435 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 35 10.077 -1.807 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.771 -2.128 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.065 -3.668 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.012 -3.250 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.411 -0.290 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.716 -1.341 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.901 -0.489 -6.291 1.00 0.00 H new ATOM 548 N GLU A 36 14.142 -4.529 -7.407 1.00 0.00 N ATOM 549 CA GLU A 36 14.995 -5.667 -7.732 1.00 0.00 C ATOM 550 C GLU A 36 14.173 -6.948 -7.846 1.00 0.00 C ATOM 551 O GLU A 36 12.944 -6.917 -7.783 1.00 0.00 O ATOM 552 CB GLU A 36 16.082 -5.838 -6.671 1.00 0.00 C ATOM 553 CG GLU A 36 17.361 -5.079 -6.981 1.00 0.00 C ATOM 554 CD GLU A 36 18.596 -5.767 -6.431 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.827 -6.942 -6.784 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.331 -5.129 -5.649 1.00 0.00 O ATOM 0 H GLU A 36 14.114 -4.293 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 36 15.466 -5.471 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.695 -5.502 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.314 -6.898 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.461 -4.969 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.293 -4.074 -6.564 1.00 0.00 H new ATOM 563 N ARG A 37 14.861 -8.073 -8.015 1.00 0.00 N ATOM 564 CA ARG A 37 14.196 -9.363 -8.140 1.00 0.00 C ATOM 565 C ARG A 37 14.353 -10.181 -6.861 1.00 0.00 C ATOM 566 O ARG A 37 13.474 -10.965 -6.502 1.00 0.00 O ATOM 567 CB ARG A 37 14.766 -10.142 -9.327 1.00 0.00 C ATOM 568 CG ARG A 37 16.207 -10.580 -9.133 1.00 0.00 C ATOM 569 CD ARG A 37 16.290 -11.952 -8.483 1.00 0.00 C ATOM 570 NE ARG A 37 16.288 -13.028 -9.470 1.00 0.00 N ATOM 571 CZ ARG A 37 16.123 -14.309 -9.161 1.00 0.00 C ATOM 572 NH1 ARG A 37 15.950 -14.672 -7.898 1.00 0.00 N ATOM 573 NH2 ARG A 37 16.133 -15.230 -10.116 1.00 0.00 N ATOM 0 H ARG A 37 15.879 -8.116 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 37 13.135 -9.181 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.148 -11.023 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.701 -9.523 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.715 -10.602 -10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.730 -9.851 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.197 -12.014 -7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.448 -12.082 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 37 16.421 -12.782 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.943 -13.967 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.823 -15.656 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.268 -14.954 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.006 -16.214 -9.877 1.00 0.00 H new ATOM 587 N ASP A 38 15.477 -9.993 -6.178 1.00 0.00 N ATOM 588 CA ASP A 38 15.749 -10.712 -4.939 1.00 0.00 C ATOM 589 C ASP A 38 15.884 -9.744 -3.767 1.00 0.00 C ATOM 590 O ASP A 38 15.631 -10.105 -2.619 1.00 0.00 O ATOM 591 CB ASP A 38 17.023 -11.546 -5.077 1.00 0.00 C ATOM 592 CG ASP A 38 17.674 -11.836 -3.739 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.026 -12.493 -2.895 1.00 0.00 O ATOM 594 OD2 ASP A 38 18.828 -11.408 -3.534 1.00 0.00 O ATOM 0 H ASP A 38 16.215 -9.348 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 38 14.908 -11.377 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.786 -12.487 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.732 -11.018 -5.716 1.00 0.00 H new ATOM 599 N ASN A 39 16.287 -8.513 -4.067 1.00 0.00 N ATOM 600 CA ASN A 39 16.457 -7.494 -3.038 1.00 0.00 C ATOM 601 C ASN A 39 15.109 -6.931 -2.601 1.00 0.00 C ATOM 602 O ASN A 39 15.032 -6.137 -1.664 1.00 0.00 O ATOM 603 CB ASN A 39 17.351 -6.365 -3.554 1.00 0.00 C ATOM 604 CG ASN A 39 17.061 -5.040 -2.873 1.00 0.00 C ATOM 605 OD1 ASN A 39 15.990 -4.460 -3.051 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.017 -4.555 -2.089 1.00 0.00 N ATOM 0 H ASN A 39 16.502 -8.198 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 39 16.932 -7.960 -2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.396 -6.631 -3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.210 -6.256 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 39 17.879 -3.668 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.889 -5.070 -1.970 1.00 0.00 H new ATOM 613 N GLN A 40 14.049 -7.349 -3.286 1.00 0.00 N ATOM 614 CA GLN A 40 12.703 -6.886 -2.967 1.00 0.00 C ATOM 615 C GLN A 40 12.308 -7.295 -1.552 1.00 0.00 C ATOM 616 O GLN A 40 11.286 -6.849 -1.031 1.00 0.00 O ATOM 617 CB GLN A 40 11.697 -7.447 -3.973 1.00 0.00 C ATOM 618 CG GLN A 40 11.468 -6.544 -5.175 1.00 0.00 C ATOM 619 CD GLN A 40 10.416 -7.087 -6.121 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.242 -6.725 -6.036 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.832 -7.959 -7.031 1.00 0.00 N ATOM 0 H GLN A 40 14.096 -8.007 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 40 12.696 -5.798 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.048 -8.419 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.746 -7.614 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.165 -5.556 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.407 -6.419 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.815 -8.231 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.169 -8.357 -7.696 1.00 0.00 H new ATOM 630 N GLU A 41 13.124 -8.144 -0.936 1.00 0.00 N ATOM 631 CA GLU A 41 12.857 -8.613 0.419 1.00 0.00 C ATOM 632 C GLU A 41 13.460 -7.664 1.451 1.00 0.00 C ATOM 633 O GLU A 41 12.742 -7.078 2.262 1.00 0.00 O ATOM 634 CB GLU A 41 13.421 -10.022 0.615 1.00 0.00 C ATOM 635 CG GLU A 41 12.807 -11.057 -0.313 1.00 0.00 C ATOM 636 CD GLU A 41 13.276 -12.467 -0.006 1.00 0.00 C ATOM 637 OE1 GLU A 41 13.087 -12.916 1.143 1.00 0.00 O ATOM 638 OE2 GLU A 41 13.831 -13.118 -0.915 1.00 0.00 O ATOM 0 H GLU A 41 13.975 -8.521 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 41 11.777 -8.639 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.499 -9.998 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.257 -10.330 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.721 -11.014 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.060 -10.810 -1.344 1.00 0.00 H new ATOM 645 N GLN A 42 14.780 -7.520 1.414 1.00 0.00 N ATOM 646 CA GLN A 42 15.479 -6.643 2.346 1.00 0.00 C ATOM 647 C GLN A 42 14.757 -5.307 2.482 1.00 0.00 C ATOM 648 O GLN A 42 14.530 -4.822 3.591 1.00 0.00 O ATOM 649 CB GLN A 42 16.918 -6.415 1.883 1.00 0.00 C ATOM 650 CG GLN A 42 17.040 -6.117 0.397 1.00 0.00 C ATOM 651 CD GLN A 42 18.471 -6.192 -0.097 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.224 -5.222 -0.002 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.854 -7.346 -0.631 1.00 0.00 N ATOM 0 H GLN A 42 15.387 -7.999 0.749 1.00 0.00 H new ATOM 0 HA GLN A 42 15.492 -7.128 3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.345 -5.586 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.511 -7.299 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.429 -6.825 -0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.642 -5.123 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.197 -8.124 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.805 -7.454 -0.982 1.00 0.00 H new ATOM 662 N TYR A 43 14.400 -4.715 1.348 1.00 0.00 N ATOM 663 CA TYR A 43 13.707 -3.433 1.340 1.00 0.00 C ATOM 664 C TYR A 43 12.751 -3.322 2.524 1.00 0.00 C ATOM 665 O TYR A 43 12.253 -4.328 3.031 1.00 0.00 O ATOM 666 CB TYR A 43 12.937 -3.253 0.029 1.00 0.00 C ATOM 667 CG TYR A 43 13.741 -2.575 -1.056 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.510 -1.451 -0.780 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.731 -3.058 -2.360 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.246 -0.828 -1.770 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.464 -2.442 -3.355 1.00 0.00 C ATOM 672 CZ TYR A 43 15.221 -1.328 -3.055 1.00 0.00 C ATOM 673 OH TYR A 43 15.951 -0.711 -4.045 1.00 0.00 O ATOM 0 H TYR A 43 14.579 -5.103 0.422 1.00 0.00 H new ATOM 0 HA TYR A 43 14.455 -2.645 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.611 -4.230 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.038 -2.668 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.533 -1.057 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.140 -3.930 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.837 0.046 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.445 -2.830 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 43 15.825 -1.189 -4.891 1.00 0.00 H new ATOM 683 N THR A 44 12.498 -2.092 2.960 1.00 0.00 N ATOM 684 CA THR A 44 11.603 -1.849 4.083 1.00 0.00 C ATOM 685 C THR A 44 10.499 -0.868 3.704 1.00 0.00 C ATOM 686 O THR A 44 10.632 -0.107 2.746 1.00 0.00 O ATOM 687 CB THR A 44 12.367 -1.298 5.302 1.00 0.00 C ATOM 688 OG1 THR A 44 12.914 -0.010 4.996 1.00 0.00 O ATOM 689 CG2 THR A 44 13.485 -2.244 5.712 1.00 0.00 C ATOM 0 H THR A 44 12.901 -1.249 2.552 1.00 0.00 H new ATOM 0 HA THR A 44 11.158 -2.809 4.346 1.00 0.00 H new ATOM 0 HB THR A 44 11.666 -1.207 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.397 0.334 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.010 -1.834 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.063 -3.215 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.184 -2.362 4.884 1.00 0.00 H new ATOM 697 N THR A 45 9.408 -0.890 4.463 1.00 0.00 N ATOM 698 CA THR A 45 8.280 -0.003 4.207 1.00 0.00 C ATOM 699 C THR A 45 8.755 1.405 3.867 1.00 0.00 C ATOM 700 O THR A 45 8.067 2.151 3.170 1.00 0.00 O ATOM 701 CB THR A 45 7.331 0.065 5.418 1.00 0.00 C ATOM 702 OG1 THR A 45 8.057 0.461 6.587 1.00 0.00 O ATOM 703 CG2 THR A 45 6.665 -1.282 5.661 1.00 0.00 C ATOM 0 H THR A 45 9.282 -1.513 5.261 1.00 0.00 H new ATOM 0 HA THR A 45 7.739 -0.417 3.356 1.00 0.00 H new ATOM 0 HB THR A 45 6.557 0.802 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.446 0.504 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.000 -1.209 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.090 -1.568 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.428 -2.035 5.856 1.00 0.00 H new ATOM 711 N ILE A 46 9.933 1.763 4.365 1.00 0.00 N ATOM 712 CA ILE A 46 10.500 3.083 4.113 1.00 0.00 C ATOM 713 C ILE A 46 11.037 3.186 2.690 1.00 0.00 C ATOM 714 O ILE A 46 10.531 3.964 1.880 1.00 0.00 O ATOM 715 CB ILE A 46 11.634 3.407 5.102 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.064 3.663 6.499 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.431 4.610 4.620 1.00 0.00 C ATOM 718 CD1 ILE A 46 10.024 4.762 6.535 1.00 0.00 C ATOM 0 H ILE A 46 10.514 1.158 4.945 1.00 0.00 H new ATOM 0 HA ILE A 46 9.694 3.804 4.249 1.00 0.00 H new ATOM 0 HB ILE A 46 12.305 2.550 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.620 2.742 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.880 3.923 7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.229 4.826 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.864 4.392 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.772 5.475 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.664 4.889 7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.468 5.695 6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.190 4.495 5.887 1.00 0.00 H new ATOM 730 N GLN A 47 12.065 2.397 2.392 1.00 0.00 N ATOM 731 CA GLN A 47 12.670 2.401 1.064 1.00 0.00 C ATOM 732 C GLN A 47 11.601 2.340 -0.022 1.00 0.00 C ATOM 733 O GLN A 47 11.675 3.057 -1.019 1.00 0.00 O ATOM 734 CB GLN A 47 13.632 1.221 0.917 1.00 0.00 C ATOM 735 CG GLN A 47 14.866 1.328 1.799 1.00 0.00 C ATOM 736 CD GLN A 47 16.059 0.592 1.224 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.813 1.140 0.418 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.239 -0.658 1.635 1.00 0.00 N ATOM 0 H GLN A 47 12.496 1.748 3.051 1.00 0.00 H new ATOM 0 HA GLN A 47 13.226 3.331 0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.102 0.299 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.945 1.146 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.122 2.379 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.638 0.927 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.590 -1.073 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.026 -1.203 1.282 1.00 0.00 H new ATOM 747 N ILE A 48 10.609 1.478 0.180 1.00 0.00 N ATOM 748 CA ILE A 48 9.525 1.324 -0.783 1.00 0.00 C ATOM 749 C ILE A 48 8.626 2.556 -0.798 1.00 0.00 C ATOM 750 O ILE A 48 8.073 2.920 -1.836 1.00 0.00 O ATOM 751 CB ILE A 48 8.670 0.081 -0.473 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.540 -1.177 -0.477 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.539 -0.048 -1.483 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.277 -1.399 -1.779 1.00 0.00 C ATOM 0 H ILE A 48 10.534 0.877 1.000 1.00 0.00 H new ATOM 0 HA ILE A 48 9.986 1.202 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 48 8.234 0.196 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.265 -1.110 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.912 -2.044 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.943 -0.931 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.907 0.839 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.956 -0.144 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.873 -2.309 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.558 -1.498 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.932 -0.550 -1.976 1.00 0.00 H new ATOM 766 N ALA A 49 8.484 3.193 0.359 1.00 0.00 N ATOM 767 CA ALA A 49 7.655 4.386 0.477 1.00 0.00 C ATOM 768 C ALA A 49 8.189 5.515 -0.399 1.00 0.00 C ATOM 769 O ALA A 49 7.551 5.911 -1.373 1.00 0.00 O ATOM 770 CB ALA A 49 7.578 4.833 1.929 1.00 0.00 C ATOM 0 H ALA A 49 8.932 2.903 1.228 1.00 0.00 H new ATOM 0 HA ALA A 49 6.652 4.137 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.956 5.725 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.143 4.036 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.580 5.059 2.294 1.00 0.00 H new ATOM 776 N ASN A 50 9.361 6.030 -0.042 1.00 0.00 N ATOM 777 CA ASN A 50 9.980 7.115 -0.796 1.00 0.00 C ATOM 778 C ASN A 50 9.763 6.929 -2.295 1.00 0.00 C ATOM 779 O ASN A 50 9.081 7.727 -2.937 1.00 0.00 O ATOM 780 CB ASN A 50 11.477 7.186 -0.491 1.00 0.00 C ATOM 781 CG ASN A 50 11.758 7.696 0.910 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.563 8.875 1.203 1.00 0.00 O ATOM 783 ND2 ASN A 50 12.218 6.806 1.782 1.00 0.00 N ATOM 0 H ASN A 50 9.901 5.714 0.764 1.00 0.00 H new ATOM 0 HA ASN A 50 9.509 8.050 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.917 6.196 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.962 7.839 -1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.425 7.090 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.364 5.838 1.494 1.00 0.00 H new ATOM 790 N MET A 51 10.347 5.870 -2.845 1.00 0.00 N ATOM 791 CA MET A 51 10.216 5.578 -4.267 1.00 0.00 C ATOM 792 C MET A 51 8.809 5.897 -4.761 1.00 0.00 C ATOM 793 O MET A 51 8.635 6.529 -5.802 1.00 0.00 O ATOM 794 CB MET A 51 10.544 4.108 -4.541 1.00 0.00 C ATOM 795 CG MET A 51 12.032 3.831 -4.671 1.00 0.00 C ATOM 796 SD MET A 51 12.379 2.253 -5.470 1.00 0.00 S ATOM 797 CE MET A 51 12.950 1.286 -4.075 1.00 0.00 C ATOM 0 H MET A 51 10.916 5.200 -2.327 1.00 0.00 H new ATOM 0 HA MET A 51 10.923 6.208 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.138 3.497 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.044 3.798 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.498 4.633 -5.243 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.487 3.840 -3.680 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.386 0.353 -4.433 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.703 1.851 -3.525 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.109 1.065 -3.417 1.00 0.00 H new ATOM 807 N MET A 52 7.808 5.456 -4.007 1.00 0.00 N ATOM 808 CA MET A 52 6.415 5.697 -4.367 1.00 0.00 C ATOM 809 C MET A 52 6.058 7.171 -4.204 1.00 0.00 C ATOM 810 O MET A 52 5.388 7.753 -5.055 1.00 0.00 O ATOM 811 CB MET A 52 5.487 4.836 -3.508 1.00 0.00 C ATOM 812 CG MET A 52 5.448 3.376 -3.929 1.00 0.00 C ATOM 813 SD MET A 52 4.060 2.482 -3.206 1.00 0.00 S ATOM 814 CE MET A 52 2.823 2.686 -4.485 1.00 0.00 C ATOM 0 H MET A 52 7.935 4.930 -3.143 1.00 0.00 H new ATOM 0 HA MET A 52 6.284 5.424 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.808 4.897 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.478 5.246 -3.555 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.387 3.317 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.379 2.892 -3.635 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.862 2.922 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.117 3.498 -5.150 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.736 1.762 -5.057 1.00 0.00 H new ATOM 824 N GLU A 53 6.510 7.766 -3.104 1.00 0.00 N ATOM 825 CA GLU A 53 6.236 9.172 -2.831 1.00 0.00 C ATOM 826 C GLU A 53 6.614 10.043 -4.025 1.00 0.00 C ATOM 827 O GLU A 53 5.889 10.969 -4.384 1.00 0.00 O ATOM 828 CB GLU A 53 7.002 9.630 -1.588 1.00 0.00 C ATOM 829 CG GLU A 53 6.307 9.281 -0.281 1.00 0.00 C ATOM 830 CD GLU A 53 6.916 9.993 0.911 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.015 11.237 0.874 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.294 9.305 1.883 1.00 0.00 O ATOM 0 H GLU A 53 7.066 7.297 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 53 5.166 9.279 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.993 9.177 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.145 10.710 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.251 9.541 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.360 8.204 -0.122 1.00 0.00 H new ATOM 839 N GLU A 54 7.756 9.738 -4.633 1.00 0.00 N ATOM 840 CA GLU A 54 8.232 10.494 -5.786 1.00 0.00 C ATOM 841 C GLU A 54 7.512 10.058 -7.058 1.00 0.00 C ATOM 842 O GLU A 54 7.180 10.880 -7.912 1.00 0.00 O ATOM 843 CB GLU A 54 9.742 10.314 -5.954 1.00 0.00 C ATOM 844 CG GLU A 54 10.553 10.828 -4.776 1.00 0.00 C ATOM 845 CD GLU A 54 10.213 12.262 -4.416 1.00 0.00 C ATOM 846 OE1 GLU A 54 9.725 12.996 -5.301 1.00 0.00 O ATOM 847 OE2 GLU A 54 10.435 12.648 -3.250 1.00 0.00 O ATOM 0 H GLU A 54 8.368 8.974 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 54 8.016 11.548 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.959 9.256 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.062 10.832 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.376 10.188 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.615 10.758 -5.012 1.00 0.00 H new ATOM 854 N LYS A 55 7.272 8.756 -7.178 1.00 0.00 N ATOM 855 CA LYS A 55 6.591 8.208 -8.344 1.00 0.00 C ATOM 856 C LYS A 55 5.208 8.829 -8.509 1.00 0.00 C ATOM 857 O LYS A 55 4.864 9.327 -9.582 1.00 0.00 O ATOM 858 CB LYS A 55 6.467 6.688 -8.220 1.00 0.00 C ATOM 859 CG LYS A 55 7.693 5.935 -8.708 1.00 0.00 C ATOM 860 CD LYS A 55 7.748 5.883 -10.225 1.00 0.00 C ATOM 861 CE LYS A 55 8.554 4.688 -10.713 1.00 0.00 C ATOM 862 NZ LYS A 55 10.001 5.012 -10.844 1.00 0.00 N ATOM 0 H LYS A 55 7.540 8.061 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 55 7.185 8.448 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.285 6.431 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.597 6.356 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.593 6.417 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.681 4.921 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.736 5.828 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.192 6.803 -10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.429 3.857 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.167 4.358 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.516 4.173 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.123 5.788 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.377 5.303 -9.919 1.00 0.00 H new ATOM 876 N PHE A 56 4.419 8.798 -7.440 1.00 0.00 N ATOM 877 CA PHE A 56 3.074 9.359 -7.466 1.00 0.00 C ATOM 878 C PHE A 56 2.896 10.397 -6.361 1.00 0.00 C ATOM 879 O PHE A 56 2.400 10.102 -5.273 1.00 0.00 O ATOM 880 CB PHE A 56 2.032 8.250 -7.313 1.00 0.00 C ATOM 881 CG PHE A 56 2.465 6.936 -7.899 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.371 6.706 -9.262 1.00 0.00 C ATOM 883 CD2 PHE A 56 2.966 5.932 -7.087 1.00 0.00 C ATOM 884 CE1 PHE A 56 2.768 5.498 -9.804 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.365 4.721 -7.624 1.00 0.00 C ATOM 886 CZ PHE A 56 3.267 4.505 -8.984 1.00 0.00 C ATOM 0 H PHE A 56 4.688 8.390 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 56 2.931 9.851 -8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.813 8.112 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.105 8.565 -7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.983 7.479 -9.908 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.046 6.096 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.688 5.331 -10.868 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.753 3.946 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.580 3.561 -9.406 1.00 0.00 H new ATOM 896 N PRO A 57 3.309 11.640 -6.645 1.00 0.00 N ATOM 897 CA PRO A 57 3.205 12.746 -5.689 1.00 0.00 C ATOM 898 C PRO A 57 1.762 13.175 -5.453 1.00 0.00 C ATOM 899 O PRO A 57 1.496 14.095 -4.680 1.00 0.00 O ATOM 900 CB PRO A 57 3.995 13.872 -6.362 1.00 0.00 C ATOM 901 CG PRO A 57 3.929 13.562 -7.818 1.00 0.00 C ATOM 902 CD PRO A 57 3.909 12.062 -7.921 1.00 0.00 C ATOM 0 HA PRO A 57 3.583 12.470 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.559 14.847 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.026 13.898 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.037 13.996 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.788 13.978 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.319 11.726 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.912 11.655 -8.047 1.00 0.00 H new ATOM 910 N ALA A 58 0.832 12.503 -6.123 1.00 0.00 N ATOM 911 CA ALA A 58 -0.585 12.814 -5.984 1.00 0.00 C ATOM 912 C ALA A 58 -1.204 12.045 -4.821 1.00 0.00 C ATOM 913 O ALA A 58 -1.806 12.637 -3.925 1.00 0.00 O ATOM 914 CB ALA A 58 -1.324 12.502 -7.278 1.00 0.00 C ATOM 0 H ALA A 58 1.035 11.739 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.679 13.879 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.381 12.739 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.907 13.100 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.214 11.444 -7.514 1.00 0.00 H new ATOM 920 N ASP A 59 -1.053 10.726 -4.843 1.00 0.00 N ATOM 921 CA ASP A 59 -1.597 9.876 -3.790 1.00 0.00 C ATOM 922 C ASP A 59 -0.481 9.313 -2.916 1.00 0.00 C ATOM 923 O ASP A 59 -0.737 8.740 -1.856 1.00 0.00 O ATOM 924 CB ASP A 59 -2.411 8.733 -4.397 1.00 0.00 C ATOM 925 CG ASP A 59 -1.539 7.705 -5.090 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.193 7.921 -6.271 1.00 0.00 O ATOM 927 OD2 ASP A 59 -1.204 6.684 -4.453 1.00 0.00 O ATOM 0 H ASP A 59 -0.558 10.221 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.251 10.486 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.988 8.245 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.126 9.140 -5.112 1.00 0.00 H new ATOM 932 N SER A 60 0.760 9.480 -3.366 1.00 0.00 N ATOM 933 CA SER A 60 1.915 8.983 -2.628 1.00 0.00 C ATOM 934 C SER A 60 1.827 7.474 -2.432 1.00 0.00 C ATOM 935 O SER A 60 2.335 6.933 -1.451 1.00 0.00 O ATOM 936 CB SER A 60 2.015 9.680 -1.270 1.00 0.00 C ATOM 937 OG SER A 60 1.232 9.013 -0.295 1.00 0.00 O ATOM 0 H SER A 60 0.990 9.956 -4.238 1.00 0.00 H new ATOM 0 HA SER A 60 2.810 9.204 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.056 9.708 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.682 10.714 -1.363 1.00 0.00 H new ATOM 0 HG SER A 60 0.291 9.025 -0.567 1.00 0.00 H new ATOM 943 N GLY A 61 1.177 6.797 -3.375 1.00 0.00 N ATOM 944 CA GLY A 61 1.033 5.356 -3.289 1.00 0.00 C ATOM 945 C GLY A 61 -0.232 4.942 -2.566 1.00 0.00 C ATOM 946 O GLY A 61 -0.570 3.758 -2.518 1.00 0.00 O ATOM 0 H GLY A 61 0.748 7.222 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.028 4.934 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.897 4.938 -2.772 1.00 0.00 H new ATOM 950 N LEU A 62 -0.934 5.916 -2.000 1.00 0.00 N ATOM 951 CA LEU A 62 -2.170 5.648 -1.272 1.00 0.00 C ATOM 952 C LEU A 62 -3.121 4.798 -2.110 1.00 0.00 C ATOM 953 O LEU A 62 -3.622 3.773 -1.651 1.00 0.00 O ATOM 954 CB LEU A 62 -2.851 6.960 -0.881 1.00 0.00 C ATOM 955 CG LEU A 62 -4.345 6.873 -0.562 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.561 6.288 0.824 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.994 8.244 -0.672 1.00 0.00 C ATOM 0 H LEU A 62 -0.669 6.900 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.917 5.095 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.337 7.367 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.715 7.673 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.815 6.212 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.629 6.234 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.131 5.287 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.077 6.923 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.056 8.163 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.521 8.928 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.870 8.625 -1.686 1.00 0.00 H new ATOM 969 N GLY A 63 -3.363 5.232 -3.343 1.00 0.00 N ATOM 970 CA GLY A 63 -4.251 4.499 -4.227 1.00 0.00 C ATOM 971 C GLY A 63 -3.715 3.125 -4.578 1.00 0.00 C ATOM 972 O GLY A 63 -4.428 2.127 -4.473 1.00 0.00 O ATOM 0 H GLY A 63 -2.960 6.078 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.227 4.395 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.402 5.072 -5.142 1.00 0.00 H new ATOM 976 N LYS A 64 -2.456 3.071 -4.996 1.00 0.00 N ATOM 977 CA LYS A 64 -1.823 1.810 -5.365 1.00 0.00 C ATOM 978 C LYS A 64 -2.039 0.758 -4.283 1.00 0.00 C ATOM 979 O LYS A 64 -2.342 -0.399 -4.578 1.00 0.00 O ATOM 980 CB LYS A 64 -0.325 2.016 -5.600 1.00 0.00 C ATOM 981 CG LYS A 64 0.266 1.063 -6.623 1.00 0.00 C ATOM 982 CD LYS A 64 0.197 1.639 -8.028 1.00 0.00 C ATOM 983 CE LYS A 64 0.068 0.543 -9.074 1.00 0.00 C ATOM 984 NZ LYS A 64 1.377 -0.110 -9.358 1.00 0.00 N ATOM 0 H LYS A 64 -1.852 3.888 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.283 1.457 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.155 3.041 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.203 1.894 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.304 0.851 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.271 0.115 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.653 2.317 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.093 2.228 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.644 -0.206 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.335 0.965 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.223 -0.956 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.994 0.555 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.829 -0.386 -8.463 1.00 0.00 H new ATOM 998 N LEU A 65 -1.883 1.165 -3.027 1.00 0.00 N ATOM 999 CA LEU A 65 -2.062 0.257 -1.900 1.00 0.00 C ATOM 1000 C LEU A 65 -3.515 -0.193 -1.789 1.00 0.00 C ATOM 1001 O LEU A 65 -3.813 -1.385 -1.865 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.625 0.934 -0.600 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.318 0.002 0.572 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.598 -0.623 1.107 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.331 -1.077 0.151 1.00 0.00 C ATOM 0 H LEU A 65 -1.633 2.118 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.441 -0.622 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.737 1.531 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.410 1.625 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.864 0.590 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.360 -1.283 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.272 0.163 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.081 -1.197 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.124 -1.731 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.757 -1.662 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.596 -0.612 -0.183 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.415 0.768 -1.611 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.837 0.471 -1.493 1.00 0.00 C ATOM 1019 C ILE A 66 -6.225 -0.714 -2.371 1.00 0.00 C ATOM 1020 O ILE A 66 -6.722 -1.727 -1.880 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.700 1.686 -1.878 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.657 2.741 -0.771 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.134 1.253 -2.149 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.116 4.111 -1.222 1.00 0.00 C ATOM 0 H ILE A 66 -4.184 1.759 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.022 0.222 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.295 2.126 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.284 2.412 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.638 2.815 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.732 2.123 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.148 0.534 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.550 0.792 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.059 4.808 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.475 4.462 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.146 4.052 -1.575 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.995 -0.578 -3.673 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.320 -1.639 -4.620 1.00 0.00 C ATOM 1038 C GLU A 67 -5.777 -2.982 -4.141 1.00 0.00 C ATOM 1039 O GLU A 67 -6.529 -3.941 -3.965 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.751 -1.310 -6.003 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.422 -0.121 -6.671 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.859 -0.405 -7.059 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.094 -1.401 -7.777 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.750 0.366 -6.647 1.00 0.00 O ATOM 0 H GLU A 67 -5.586 0.255 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.406 -1.710 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.684 -1.108 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.855 -2.184 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.394 0.734 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.857 0.157 -7.561 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.466 -3.043 -3.932 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.821 -4.268 -3.475 1.00 0.00 C ATOM 1053 C PHE A 68 -4.663 -4.959 -2.407 1.00 0.00 C ATOM 1054 O PHE A 68 -4.786 -6.186 -2.396 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.427 -3.961 -2.923 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.769 -5.141 -2.266 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.503 -6.293 -2.987 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.418 -5.097 -0.926 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.898 -7.380 -2.386 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.812 -6.181 -0.319 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.552 -7.324 -1.050 1.00 0.00 C ATOM 0 H PHE A 68 -3.830 -2.258 -4.072 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.726 -4.939 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.793 -3.608 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.502 -3.148 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.772 -6.342 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.620 -4.206 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.696 -8.272 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.542 -6.134 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.079 -8.172 -0.578 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.239 -4.166 -1.511 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.069 -4.701 -0.438 1.00 0.00 C ATOM 1073 C CYS A 69 -7.363 -5.287 -0.991 1.00 0.00 C ATOM 1074 O CYS A 69 -7.720 -6.425 -0.686 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.386 -3.607 0.584 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.924 -2.784 1.260 1.00 0.00 S ATOM 0 H CYS A 69 -5.147 -3.150 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.512 -5.498 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.026 -2.860 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.956 -4.044 1.404 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.293 -1.874 2.112 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.063 -4.502 -1.804 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.319 -4.943 -2.397 1.00 0.00 C ATOM 1084 C GLU A 70 -9.212 -6.384 -2.888 1.00 0.00 C ATOM 1085 O GLU A 70 -10.059 -7.221 -2.574 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.711 -4.026 -3.557 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.202 -2.658 -3.113 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.694 -2.633 -2.846 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.451 -3.226 -3.642 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.106 -2.018 -1.839 1.00 0.00 O ATOM 0 H GLU A 70 -7.781 -3.558 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.091 -4.895 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.851 -3.898 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.492 -4.510 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.670 -2.361 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.962 -1.923 -3.881 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.168 -6.665 -3.660 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.951 -8.004 -4.195 1.00 0.00 C ATOM 1099 C GLU A 71 -8.013 -9.049 -3.086 1.00 0.00 C ATOM 1100 O GLU A 71 -8.655 -10.090 -3.233 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.600 -8.080 -4.908 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.412 -7.012 -5.971 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.346 -7.192 -7.152 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -7.429 -8.323 -7.674 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -7.994 -6.203 -7.554 1.00 0.00 O ATOM 0 H GLU A 71 -7.459 -5.983 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.744 -8.214 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.803 -7.990 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.497 -9.062 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.578 -6.030 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.380 -7.032 -6.322 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.341 -8.765 -1.974 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.319 -9.680 -0.839 1.00 0.00 C ATOM 1114 C VAL A 72 -8.507 -9.437 0.085 1.00 0.00 C ATOM 1115 O VAL A 72 -8.724 -8.331 0.581 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.016 -9.540 -0.030 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -5.915 -10.641 1.014 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -4.809 -9.558 -0.956 1.00 0.00 C ATOM 0 H VAL A 72 -6.805 -7.908 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.378 -10.690 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.032 -8.581 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.988 -10.526 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.763 -10.575 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.921 -11.613 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.897 -9.458 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.785 -10.500 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.879 -8.729 -1.661 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.297 -10.495 0.323 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.477 -10.422 1.191 1.00 0.00 C ATOM 1130 C PRO A 73 -10.106 -10.244 2.660 1.00 0.00 C ATOM 1131 O PRO A 73 -10.979 -10.153 3.522 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.161 -11.774 0.973 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.065 -12.690 0.548 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.099 -11.843 -0.234 1.00 0.00 C ATOM 0 HA PRO A 73 -11.107 -9.566 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.640 -12.127 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.938 -11.706 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.577 -13.142 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.452 -13.505 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.072 -12.184 -0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.313 -11.872 -1.302 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.807 -10.193 2.935 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.323 -10.022 4.300 1.00 0.00 C ATOM 1144 C ALA A 74 -7.734 -8.630 4.503 1.00 0.00 C ATOM 1145 O ALA A 74 -7.264 -8.296 5.592 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.287 -11.088 4.629 1.00 0.00 C ATOM 0 H ALA A 74 -8.072 -10.267 2.232 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.170 -10.132 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.934 -10.949 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.738 -12.076 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.447 -11.004 3.940 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.764 -7.821 3.450 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.233 -6.464 3.512 1.00 0.00 C ATOM 1154 C LEU A 75 -8.292 -5.445 3.105 1.00 0.00 C ATOM 1155 O LEU A 75 -8.161 -4.253 3.385 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.008 -6.332 2.606 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.817 -7.227 2.952 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.716 -7.076 1.914 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.291 -6.902 4.342 1.00 0.00 C ATOM 0 H LEU A 75 -8.151 -8.081 2.543 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.939 -6.263 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.313 -6.548 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.675 -5.294 2.628 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.153 -8.264 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.877 -7.720 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.099 -7.360 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.382 -6.039 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.444 -7.549 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.972 -5.860 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.080 -7.064 5.077 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.343 -5.923 2.446 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.426 -5.054 2.002 1.00 0.00 C ATOM 1173 C ARG A 76 -10.934 -4.186 3.150 1.00 0.00 C ATOM 1174 O ARG A 76 -11.356 -3.049 2.943 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.576 -5.887 1.431 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.456 -6.148 -0.061 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.337 -7.309 -0.496 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.797 -7.161 -1.874 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.639 -6.213 -2.270 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.112 -5.334 -1.396 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -14.012 -6.144 -3.542 1.00 0.00 N ATOM 0 H ARG A 76 -9.467 -6.907 2.208 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.036 -4.401 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.618 -6.841 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.517 -5.374 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.737 -5.250 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.417 -6.364 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.782 -8.242 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.198 -7.379 0.168 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.453 -7.822 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.829 -5.385 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.758 -4.607 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.652 -6.819 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.659 -5.416 -3.845 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.887 -4.731 4.361 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.341 -4.009 5.544 1.00 0.00 C ATOM 1197 C LYS A 77 -10.658 -2.649 5.645 1.00 0.00 C ATOM 1198 O LYS A 77 -11.299 -1.643 5.953 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.061 -4.828 6.805 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.554 -4.167 8.081 1.00 0.00 C ATOM 1201 CD LYS A 77 -11.657 -5.165 9.222 1.00 0.00 C ATOM 1202 CE LYS A 77 -10.309 -5.383 9.895 1.00 0.00 C ATOM 1203 NZ LYS A 77 -10.404 -6.347 11.026 1.00 0.00 N ATOM 0 H LYS A 77 -10.539 -5.671 4.549 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.416 -3.851 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.534 -5.805 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.988 -5.000 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.874 -3.362 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.529 -3.714 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.378 -4.806 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.034 -6.115 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.592 -5.753 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.927 -4.430 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.466 -6.469 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.069 -5.982 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.744 -7.264 10.673 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.356 -2.624 5.383 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.586 -1.388 5.444 1.00 0.00 C ATOM 1219 C ARG A 78 -8.826 -0.536 4.202 1.00 0.00 C ATOM 1220 O ARG A 78 -8.976 0.682 4.291 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.094 -1.696 5.585 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.724 -2.316 6.923 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.645 -1.268 8.020 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.591 -1.871 9.350 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.568 -1.166 10.476 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.594 0.159 10.433 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.520 -1.786 11.648 1.00 0.00 N ATOM 0 H ARG A 78 -8.811 -3.447 5.126 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.917 -0.827 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.794 -2.373 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.527 -0.775 5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.463 -3.071 7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.765 -2.826 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.761 -0.648 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.511 -0.609 7.955 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.570 -2.889 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.632 0.639 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.576 0.698 11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.501 -2.805 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.502 -1.244 12.512 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.860 -1.186 3.042 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.083 -0.489 1.782 1.00 0.00 C ATOM 1243 C ALA A 79 -10.179 0.562 1.922 1.00 0.00 C ATOM 1244 O ALA A 79 -9.923 1.759 1.795 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.438 -1.482 0.686 1.00 0.00 C ATOM 0 H ALA A 79 -8.736 -2.194 2.950 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.160 0.022 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.602 -0.948 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.621 -2.192 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.346 -2.019 0.961 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.400 0.107 2.183 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.534 1.009 2.339 1.00 0.00 C ATOM 1253 C GLU A 80 -12.203 2.138 3.311 1.00 0.00 C ATOM 1254 O GLU A 80 -12.519 3.300 3.060 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.762 0.240 2.832 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.601 -0.332 4.230 1.00 0.00 C ATOM 1257 CD GLU A 80 -13.983 0.658 5.313 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.091 1.863 5.002 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.173 0.229 6.470 1.00 0.00 O ATOM 0 H GLU A 80 -11.629 -0.881 2.291 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.754 1.445 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.626 0.904 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.974 -0.573 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.218 -1.226 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.566 -0.642 4.375 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.565 1.785 4.422 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.191 2.767 5.432 1.00 0.00 C ATOM 1268 C ILE A 81 -10.281 3.840 4.844 1.00 0.00 C ATOM 1269 O ILE A 81 -10.487 5.034 5.068 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.478 2.104 6.626 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.426 1.139 7.341 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.964 3.161 7.590 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.743 0.285 8.386 1.00 0.00 C ATOM 0 H ILE A 81 -11.296 0.827 4.645 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.115 3.228 5.781 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.625 1.537 6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.224 1.711 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.895 0.489 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.463 2.676 8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.259 3.813 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.801 3.753 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.475 -0.375 8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.964 -0.313 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.297 0.927 9.146 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.277 3.409 4.090 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.336 4.333 3.467 1.00 0.00 C ATOM 1287 C LEU A 82 -9.055 5.285 2.518 1.00 0.00 C ATOM 1288 O LEU A 82 -8.817 6.494 2.534 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.256 3.558 2.708 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.413 2.592 3.541 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.744 1.560 2.647 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.373 3.353 4.351 1.00 0.00 C ATOM 0 H LEU A 82 -9.093 2.425 3.895 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.867 4.921 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.736 2.993 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.587 4.276 2.234 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.073 2.069 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.148 0.881 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.506 0.993 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.097 2.065 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.782 2.649 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.717 3.903 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.874 4.053 5.020 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.939 4.734 1.692 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.698 5.534 0.738 1.00 0.00 C ATOM 1306 C LYS A 83 -11.458 6.651 1.447 1.00 0.00 C ATOM 1307 O LYS A 83 -11.685 7.719 0.878 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.676 4.648 -0.037 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.995 3.661 -0.968 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.984 2.653 -1.531 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.324 1.733 -2.547 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.317 1.146 -3.490 1.00 0.00 N ATOM 0 H LYS A 83 -10.147 3.736 1.664 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.994 5.985 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.295 4.098 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.345 5.282 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.518 4.201 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.206 3.136 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.402 2.059 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.814 3.180 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.575 2.290 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.800 0.932 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.828 0.525 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.018 0.593 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.799 1.909 -4.006 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.848 6.398 2.691 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.580 7.382 3.479 1.00 0.00 C ATOM 1328 C LYS A 84 -11.724 8.617 3.738 1.00 0.00 C ATOM 1329 O LYS A 84 -12.229 9.739 3.760 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.027 6.770 4.809 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.307 7.375 5.358 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.814 6.607 6.567 1.00 0.00 C ATOM 1333 CE LYS A 84 -14.060 6.996 7.829 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.784 6.571 9.060 1.00 0.00 N ATOM 0 H LYS A 84 -11.669 5.519 3.176 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.460 7.684 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.170 5.698 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.231 6.897 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.130 8.414 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.071 7.378 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.878 6.801 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.705 5.537 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.069 6.542 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.915 8.076 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.238 6.854 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.720 7.024 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.900 5.538 9.055 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.427 8.403 3.933 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.501 9.501 4.190 1.00 0.00 C ATOM 1350 C GLU A 85 -8.954 10.067 2.882 1.00 0.00 C ATOM 1351 O GLU A 85 -8.744 11.273 2.756 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.348 9.029 5.077 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.802 8.458 6.411 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.831 7.434 6.966 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -7.092 6.822 6.166 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.810 7.243 8.200 1.00 0.00 O ATOM 0 H GLU A 85 -9.993 7.480 3.918 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.047 10.290 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.776 8.271 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.675 9.866 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.918 9.270 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.782 7.996 6.290 1.00 0.00 H new ATOM 1363 N ARG A 86 -8.723 9.187 1.914 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.197 9.598 0.617 1.00 0.00 C ATOM 1365 C ARG A 86 -8.760 10.955 0.209 1.00 0.00 C ATOM 1366 O ARG A 86 -8.012 11.870 -0.136 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.535 8.551 -0.447 1.00 0.00 C ATOM 1368 CG ARG A 86 -8.398 9.067 -1.871 1.00 0.00 C ATOM 1369 CD ARG A 86 -8.408 7.928 -2.879 1.00 0.00 C ATOM 1370 NE ARG A 86 -8.293 8.412 -4.252 1.00 0.00 N ATOM 1371 CZ ARG A 86 -8.344 7.618 -5.316 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -8.505 6.311 -5.167 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.232 8.134 -6.534 1.00 0.00 N ATOM 0 H ARG A 86 -8.892 8.185 2.003 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.114 9.684 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.881 7.688 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.556 8.203 -0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.214 9.755 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.470 9.631 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.585 7.247 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.330 7.357 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.167 9.413 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.590 5.911 -4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.544 5.705 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.107 9.139 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.271 7.525 -7.351 1.00 0.00 H new ATOM 1387 N SER A 87 -10.083 11.079 0.248 1.00 0.00 N ATOM 1388 CA SER A 87 -10.746 12.323 -0.123 1.00 0.00 C ATOM 1389 C SER A 87 -10.762 13.300 1.050 1.00 0.00 C ATOM 1390 O SER A 87 -11.519 13.128 2.004 1.00 0.00 O ATOM 1391 CB SER A 87 -12.176 12.045 -0.588 1.00 0.00 C ATOM 1392 OG SER A 87 -12.184 11.278 -1.780 1.00 0.00 O ATOM 0 H SER A 87 -10.717 10.332 0.533 1.00 0.00 H new ATOM 0 HA SER A 87 -10.186 12.774 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.719 11.514 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.697 12.988 -0.755 1.00 0.00 H new ATOM 0 HG SER A 87 -13.110 11.112 -2.056 1.00 0.00 H new ATOM 1398 N GLU A 88 -9.920 14.325 0.968 1.00 0.00 N ATOM 1399 CA GLU A 88 -9.837 15.329 2.022 1.00 0.00 C ATOM 1400 C GLU A 88 -10.150 16.720 1.475 1.00 0.00 C ATOM 1401 O GLU A 88 -10.423 17.649 2.234 1.00 0.00 O ATOM 1402 CB GLU A 88 -8.444 15.321 2.656 1.00 0.00 C ATOM 1403 CG GLU A 88 -7.867 13.928 2.838 1.00 0.00 C ATOM 1404 CD GLU A 88 -6.370 13.943 3.077 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -5.957 14.069 4.249 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -5.610 13.830 2.091 1.00 0.00 O ATOM 0 H GLU A 88 -9.287 14.482 0.184 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.577 15.081 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.767 15.907 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.493 15.815 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.361 13.442 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.084 13.331 1.952 1.00 0.00 H new ATOM 1413 N SER A 89 -10.107 16.853 0.154 1.00 0.00 N ATOM 1414 CA SER A 89 -10.382 18.129 -0.496 1.00 0.00 C ATOM 1415 C SER A 89 -11.388 17.956 -1.630 1.00 0.00 C ATOM 1416 O SER A 89 -11.756 18.920 -2.301 1.00 0.00 O ATOM 1417 CB SER A 89 -9.088 18.740 -1.035 1.00 0.00 C ATOM 1418 OG SER A 89 -8.376 17.808 -1.829 1.00 0.00 O ATOM 0 H SER A 89 -9.884 16.092 -0.488 1.00 0.00 H new ATOM 0 HA SER A 89 -10.811 18.802 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.319 19.625 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.463 19.067 -0.204 1.00 0.00 H new ATOM 0 HG SER A 89 -7.554 18.224 -2.163 1.00 0.00 H new ATOM 1424 N GLY A 90 -11.828 16.719 -1.839 1.00 0.00 N ATOM 1425 CA GLY A 90 -12.786 16.441 -2.893 1.00 0.00 C ATOM 1426 C GLY A 90 -14.087 15.874 -2.360 1.00 0.00 C ATOM 1427 O GLY A 90 -14.301 15.789 -1.151 1.00 0.00 O ATOM 0 H GLY A 90 -11.538 15.905 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.992 17.359 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.349 15.736 -3.600 1.00 0.00 H new ATOM 1431 N PRO A 91 -14.983 15.477 -3.274 1.00 0.00 N ATOM 1432 CA PRO A 91 -16.286 14.910 -2.912 1.00 0.00 C ATOM 1433 C PRO A 91 -16.162 13.524 -2.289 1.00 0.00 C ATOM 1434 O PRO A 91 -15.404 12.683 -2.771 1.00 0.00 O ATOM 1435 CB PRO A 91 -17.022 14.831 -4.251 1.00 0.00 C ATOM 1436 CG PRO A 91 -15.942 14.743 -5.273 1.00 0.00 C ATOM 1437 CD PRO A 91 -14.794 15.550 -4.733 1.00 0.00 C ATOM 0 HA PRO A 91 -16.799 15.513 -2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -17.677 13.961 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -17.648 15.709 -4.411 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.646 13.707 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.279 15.137 -6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -13.833 15.134 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.823 16.579 -5.091 1.00 0.00 H new ATOM 1445 N SER A 92 -16.911 13.293 -1.215 1.00 0.00 N ATOM 1446 CA SER A 92 -16.882 12.010 -0.525 1.00 0.00 C ATOM 1447 C SER A 92 -18.286 11.423 -0.410 1.00 0.00 C ATOM 1448 O SER A 92 -18.490 10.228 -0.622 1.00 0.00 O ATOM 1449 CB SER A 92 -16.269 12.170 0.868 1.00 0.00 C ATOM 1450 OG SER A 92 -16.934 13.182 1.604 1.00 0.00 O ATOM 0 H SER A 92 -17.545 13.978 -0.804 1.00 0.00 H new ATOM 0 HA SER A 92 -16.267 11.325 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.330 11.224 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.211 12.417 0.777 1.00 0.00 H new ATOM 0 HG SER A 92 -16.525 13.264 2.491 1.00 0.00 H new ATOM 1456 N SER A 93 -19.250 12.274 -0.073 1.00 0.00 N ATOM 1457 CA SER A 93 -20.635 11.840 0.075 1.00 0.00 C ATOM 1458 C SER A 93 -21.094 11.060 -1.155 1.00 0.00 C ATOM 1459 O SER A 93 -21.689 9.991 -1.038 1.00 0.00 O ATOM 1460 CB SER A 93 -21.549 13.046 0.297 1.00 0.00 C ATOM 1461 OG SER A 93 -21.431 13.538 1.621 1.00 0.00 O ATOM 0 H SER A 93 -19.098 13.267 0.103 1.00 0.00 H new ATOM 0 HA SER A 93 -20.693 11.184 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 93 -21.295 13.834 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.583 12.763 0.101 1.00 0.00 H new ATOM 0 HG SER A 93 -22.024 14.310 1.737 1.00 0.00 H new ATOM 1467 N GLY A 94 -20.811 11.606 -2.334 1.00 0.00 N ATOM 1468 CA GLY A 94 -21.202 10.950 -3.567 1.00 0.00 C ATOM 1469 C GLY A 94 -20.624 11.629 -4.793 1.00 0.00 C ATOM 1470 O GLY A 94 -21.350 11.949 -5.734 1.00 0.00 O ATOM 0 H GLY A 94 -20.318 12.491 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.874 9.911 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -22.289 10.939 -3.640 1.00 0.00 H new TER 1474 GLY A 94