USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 99:sc= -0.0532 USER MOD Set 1.2: A 81 MET CE :methyl 162:sc= -0.0581 (180deg=-0.693) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0.631 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -109:sc= 0.69 (180deg=-0.547!) USER MOD Set 3.1: A 30 GLN : amide:sc= 1.08 K(o=2,f=0) USER MOD Set 3.2: A 41 THR OG1 : rot 86:sc= 0.929 USER MOD Single : A 0 SER N :NH3+ -179:sc= -0.195 (180deg=-0.25) USER MOD Single : A 0 SER OG : rot 95:sc= 1.21 USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= 1.91 (180deg=0.988) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.7) USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= 0.0258 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0585 (180deg=-0.341) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.237) USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= 0.459 (180deg=0.0754!) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.0975 (180deg=-0.533) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.53 (180deg=-2.23!) USER MOD Single : A 49 THR OG1 : rot 88:sc= 0.328 USER MOD Single : A 50 SER OG : rot 5:sc= 0.333 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 63:sc= 0.337 USER MOD Single : A 59 SER OG : rot 13:sc= 0.0923 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= 1.02 (180deg=-0.661!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.11 (180deg=-0.664) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 8.692 1.510 3.893 1.00 0.00 N ATOM 11 CA SER A 0 9.898 1.826 3.141 1.00 0.00 C ATOM 12 C SER A 0 10.934 2.430 4.086 1.00 0.00 C ATOM 13 O SER A 0 12.035 2.796 3.689 1.00 0.00 O ATOM 14 CB SER A 0 9.580 2.788 1.991 1.00 0.00 C ATOM 15 OG SER A 0 10.710 3.009 1.171 1.00 0.00 O ATOM 0 H1 SER A 0 7.989 1.082 3.257 1.00 0.00 H new ATOM 0 H2 SER A 0 8.923 0.840 4.654 1.00 0.00 H new ATOM 0 H3 SER A 0 8.302 2.381 4.305 1.00 0.00 H new ATOM 0 HA SER A 0 10.303 0.913 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.767 2.381 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.232 3.738 2.396 1.00 0.00 H new ATOM 0 HG SER A 0 10.683 2.399 0.405 1.00 0.00 H new ATOM 21 N LEU A 1 10.568 2.502 5.363 1.00 0.00 N ATOM 22 CA LEU A 1 11.484 2.966 6.394 1.00 0.00 C ATOM 23 C LEU A 1 12.328 1.793 6.875 1.00 0.00 C ATOM 24 O LEU A 1 13.009 1.863 7.895 1.00 0.00 O ATOM 25 CB LEU A 1 10.717 3.591 7.561 1.00 0.00 C ATOM 26 CG LEU A 1 9.844 4.796 7.195 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.066 5.274 8.411 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.697 5.921 6.628 1.00 0.00 C ATOM 0 H LEU A 1 9.643 2.244 5.706 1.00 0.00 H new ATOM 0 HA LEU A 1 12.135 3.734 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.083 2.826 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.433 3.899 8.323 1.00 0.00 H new ATOM 0 HG LEU A 1 9.132 4.488 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.450 6.130 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.427 4.469 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.763 5.566 9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.060 6.768 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.432 6.230 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.211 5.572 5.732 1.00 0.00 H new ATOM 40 N ILE A 2 12.243 0.708 6.122 1.00 0.00 N ATOM 41 CA ILE A 2 13.105 -0.444 6.295 1.00 0.00 C ATOM 42 C ILE A 2 14.463 -0.119 5.663 1.00 0.00 C ATOM 43 O ILE A 2 14.879 -0.701 4.663 1.00 0.00 O ATOM 44 CB ILE A 2 12.448 -1.696 5.653 1.00 0.00 C ATOM 45 CG1 ILE A 2 13.374 -2.918 5.713 1.00 0.00 C ATOM 46 CG2 ILE A 2 12.003 -1.402 4.219 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.746 -4.179 5.158 1.00 0.00 C ATOM 0 H ILE A 2 11.566 0.604 5.366 1.00 0.00 H new ATOM 0 HA ILE A 2 13.252 -0.668 7.351 1.00 0.00 H new ATOM 0 HB ILE A 2 11.561 -1.940 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.286 -2.701 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.666 -3.092 6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.546 -2.294 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.278 -0.588 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.868 -1.114 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.456 -5.002 5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.850 -4.421 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.479 -4.023 4.113 1.00 0.00 H new ATOM 59 N LEU A 3 15.133 0.856 6.256 1.00 0.00 N ATOM 60 CA LEU A 3 16.260 1.507 5.614 1.00 0.00 C ATOM 61 C LEU A 3 17.596 1.048 6.160 1.00 0.00 C ATOM 62 O LEU A 3 17.703 0.569 7.294 1.00 0.00 O ATOM 63 CB LEU A 3 16.117 3.050 5.712 1.00 0.00 C ATOM 64 CG LEU A 3 16.440 3.749 7.058 1.00 0.00 C ATOM 65 CD1 LEU A 3 15.820 3.033 8.249 1.00 0.00 C ATOM 66 CD2 LEU A 3 17.939 3.919 7.246 1.00 0.00 C ATOM 0 H LEU A 3 14.913 1.214 7.185 1.00 0.00 H new ATOM 0 HA LEU A 3 16.244 1.214 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.760 3.490 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.090 3.303 5.447 1.00 0.00 H new ATOM 0 HG LEU A 3 15.987 4.739 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.077 3.563 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.736 3.009 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.202 2.014 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.133 4.412 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.420 2.941 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.341 4.526 6.435 1.00 0.00 H new ATOM 78 N ASP A 4 18.595 1.184 5.305 1.00 0.00 N ATOM 79 CA ASP A 4 19.994 1.028 5.676 1.00 0.00 C ATOM 80 C ASP A 4 20.871 1.396 4.487 1.00 0.00 C ATOM 81 O ASP A 4 22.092 1.252 4.523 1.00 0.00 O ATOM 82 CB ASP A 4 20.301 -0.399 6.133 1.00 0.00 C ATOM 83 CG ASP A 4 20.995 -0.425 7.479 1.00 0.00 C ATOM 84 OD1 ASP A 4 20.317 -0.694 8.492 1.00 0.00 O ATOM 85 OD2 ASP A 4 22.211 -0.163 7.539 1.00 0.00 O ATOM 0 H ASP A 4 18.457 1.409 4.320 1.00 0.00 H new ATOM 0 HA ASP A 4 20.204 1.692 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.374 -0.969 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.930 -0.890 5.391 1.00 0.00 H new ATOM 90 N GLY A 5 20.229 1.879 3.427 1.00 0.00 N ATOM 91 CA GLY A 5 20.944 2.252 2.230 1.00 0.00 C ATOM 92 C GLY A 5 20.802 1.211 1.142 1.00 0.00 C ATOM 93 O GLY A 5 21.792 0.589 0.750 1.00 0.00 O ATOM 0 H GLY A 5 19.219 2.017 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 5 20.571 3.210 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.999 2.390 2.465 1.00 0.00 H new ATOM 97 N ASP A 6 19.562 1.001 0.684 1.00 0.00 N ATOM 98 CA ASP A 6 19.268 0.029 -0.381 1.00 0.00 C ATOM 99 C ASP A 6 19.462 -1.376 0.174 1.00 0.00 C ATOM 100 O ASP A 6 19.722 -2.337 -0.552 1.00 0.00 O ATOM 101 CB ASP A 6 20.166 0.264 -1.615 1.00 0.00 C ATOM 102 CG ASP A 6 19.647 -0.391 -2.890 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.022 -1.548 -3.178 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.889 0.268 -3.634 1.00 0.00 O ATOM 0 H ASP A 6 18.741 1.493 1.035 1.00 0.00 H new ATOM 0 HA ASP A 6 18.236 0.154 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.263 1.337 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.165 -0.117 -1.403 1.00 0.00 H new ATOM 109 N LEU A 7 19.314 -1.485 1.485 1.00 0.00 N ATOM 110 CA LEU A 7 19.519 -2.744 2.174 1.00 0.00 C ATOM 111 C LEU A 7 18.196 -3.280 2.677 1.00 0.00 C ATOM 112 O LEU A 7 17.604 -2.725 3.602 1.00 0.00 O ATOM 113 CB LEU A 7 20.500 -2.573 3.337 1.00 0.00 C ATOM 114 CG LEU A 7 21.935 -2.211 2.932 1.00 0.00 C ATOM 115 CD1 LEU A 7 22.816 -2.060 4.163 1.00 0.00 C ATOM 116 CD2 LEU A 7 22.512 -3.259 1.993 1.00 0.00 C ATOM 0 H LEU A 7 19.051 -0.710 2.094 1.00 0.00 H new ATOM 0 HA LEU A 7 19.947 -3.458 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.120 -1.797 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.524 -3.500 3.911 1.00 0.00 H new ATOM 0 HG LEU A 7 21.908 -1.257 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.830 -1.803 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 7 22.419 -1.270 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 7 22.832 -2.999 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 7 23.530 -2.981 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.522 -4.228 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.898 -3.320 1.094 1.00 0.00 H new ATOM 128 N LEU A 8 17.733 -4.354 2.054 1.00 0.00 N ATOM 129 CA LEU A 8 16.455 -4.945 2.409 1.00 0.00 C ATOM 130 C LEU A 8 16.507 -5.491 3.824 1.00 0.00 C ATOM 131 O LEU A 8 15.704 -5.100 4.669 1.00 0.00 O ATOM 132 CB LEU A 8 16.058 -6.060 1.429 1.00 0.00 C ATOM 133 CG LEU A 8 15.855 -5.626 -0.032 1.00 0.00 C ATOM 134 CD1 LEU A 8 15.150 -4.281 -0.095 1.00 0.00 C ATOM 135 CD2 LEU A 8 17.181 -5.558 -0.773 1.00 0.00 C ATOM 0 H LEU A 8 18.225 -4.833 1.300 1.00 0.00 H new ATOM 0 HA LEU A 8 15.698 -4.163 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.827 -6.832 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.135 -6.518 1.784 1.00 0.00 H new ATOM 0 HG LEU A 8 15.230 -6.375 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.015 -3.990 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.177 -4.357 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.752 -3.530 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.006 -5.249 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.835 -4.836 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.654 -6.540 -0.764 1.00 0.00 H new ATOM 147 N LYS A 9 17.470 -6.383 4.070 1.00 0.00 N ATOM 148 CA LYS A 9 17.666 -7.008 5.382 1.00 0.00 C ATOM 149 C LYS A 9 16.503 -7.935 5.731 1.00 0.00 C ATOM 150 O LYS A 9 16.683 -9.142 5.882 1.00 0.00 O ATOM 151 CB LYS A 9 17.854 -5.947 6.472 1.00 0.00 C ATOM 152 CG LYS A 9 19.062 -5.049 6.248 1.00 0.00 C ATOM 153 CD LYS A 9 19.176 -3.986 7.329 1.00 0.00 C ATOM 154 CE LYS A 9 18.006 -3.017 7.288 1.00 0.00 C ATOM 155 NZ LYS A 9 18.057 -2.045 8.412 1.00 0.00 N ATOM 0 H LYS A 9 18.138 -6.693 3.364 1.00 0.00 H new ATOM 0 HA LYS A 9 18.574 -7.609 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.958 -5.329 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.955 -6.444 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.969 -5.654 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.984 -4.570 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.218 -4.465 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.109 -3.436 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.013 -2.478 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.070 -3.574 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.695 -1.124 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.472 -2.393 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.040 -1.937 8.734 1.00 0.00 H new ATOM 169 N ASP A 10 15.312 -7.369 5.848 1.00 0.00 N ATOM 170 CA ASP A 10 14.114 -8.152 6.098 1.00 0.00 C ATOM 171 C ASP A 10 13.333 -8.357 4.813 1.00 0.00 C ATOM 172 O ASP A 10 12.451 -7.566 4.471 1.00 0.00 O ATOM 173 CB ASP A 10 13.209 -7.492 7.144 1.00 0.00 C ATOM 174 CG ASP A 10 13.644 -7.772 8.565 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.426 -8.905 9.046 1.00 0.00 O ATOM 176 OD2 ASP A 10 14.189 -6.856 9.213 1.00 0.00 O ATOM 0 H ASP A 10 15.150 -6.365 5.773 1.00 0.00 H new ATOM 0 HA ASP A 10 14.438 -9.117 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.199 -6.415 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.187 -7.845 7.007 1.00 0.00 H new ATOM 181 N LYS A 11 13.700 -9.384 4.068 1.00 0.00 N ATOM 182 CA LYS A 11 12.899 -9.826 2.946 1.00 0.00 C ATOM 183 C LYS A 11 12.332 -11.200 3.274 1.00 0.00 C ATOM 184 O LYS A 11 13.049 -12.081 3.758 1.00 0.00 O ATOM 185 CB LYS A 11 13.712 -9.823 1.637 1.00 0.00 C ATOM 186 CG LYS A 11 14.878 -10.802 1.596 1.00 0.00 C ATOM 187 CD LYS A 11 14.489 -12.103 0.908 1.00 0.00 C ATOM 188 CE LYS A 11 15.658 -13.072 0.840 1.00 0.00 C ATOM 189 NZ LYS A 11 15.318 -14.294 0.066 1.00 0.00 N ATOM 0 H LYS A 11 14.550 -9.927 4.222 1.00 0.00 H new ATOM 0 HA LYS A 11 12.074 -9.133 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.039 -10.049 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.097 -8.817 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.718 -10.348 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.214 -11.012 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.662 -12.567 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.133 -11.890 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.514 -12.577 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.956 -13.353 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.141 -14.930 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.517 -14.780 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.058 -14.029 -0.905 1.00 0.00 H new ATOM 203 N LEU A 12 11.042 -11.370 3.054 1.00 0.00 N ATOM 204 CA LEU A 12 10.362 -12.570 3.510 1.00 0.00 C ATOM 205 C LEU A 12 10.539 -13.727 2.537 1.00 0.00 C ATOM 206 O LEU A 12 11.335 -13.659 1.601 1.00 0.00 O ATOM 207 CB LEU A 12 8.879 -12.301 3.748 1.00 0.00 C ATOM 208 CG LEU A 12 8.579 -11.140 4.699 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.082 -10.954 4.852 1.00 0.00 C ATOM 210 CD2 LEU A 12 9.225 -11.372 6.052 1.00 0.00 C ATOM 0 H LEU A 12 10.447 -10.700 2.567 1.00 0.00 H new ATOM 0 HA LEU A 12 10.822 -12.857 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.403 -12.098 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.420 -13.206 4.146 1.00 0.00 H new ATOM 0 HG LEU A 12 9.000 -10.230 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.886 -10.125 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.641 -10.738 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.641 -11.866 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.999 -10.534 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.836 -12.292 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.305 -11.456 5.930 1.00 0.00 H new ATOM 222 N LYS A 13 9.782 -14.787 2.774 1.00 0.00 N ATOM 223 CA LYS A 13 9.970 -16.041 2.067 1.00 0.00 C ATOM 224 C LYS A 13 8.635 -16.734 1.851 1.00 0.00 C ATOM 225 O LYS A 13 8.576 -17.939 1.601 1.00 0.00 O ATOM 226 CB LYS A 13 10.894 -16.951 2.883 1.00 0.00 C ATOM 227 CG LYS A 13 10.330 -17.344 4.247 1.00 0.00 C ATOM 228 CD LYS A 13 11.009 -16.608 5.396 1.00 0.00 C ATOM 229 CE LYS A 13 10.195 -15.414 5.882 1.00 0.00 C ATOM 230 NZ LYS A 13 10.800 -14.794 7.093 1.00 0.00 N ATOM 0 H LYS A 13 9.025 -14.801 3.458 1.00 0.00 H new ATOM 0 HA LYS A 13 10.419 -15.835 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.095 -17.856 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.849 -16.446 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.260 -17.135 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.447 -18.418 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.166 -17.299 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.993 -16.267 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.128 -14.671 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.177 -15.734 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.220 -13.985 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.841 -15.496 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.762 -14.467 6.872 1.00 0.00 H new ATOM 244 N LEU A 14 7.573 -15.958 1.911 1.00 0.00 N ATOM 245 CA LEU A 14 6.231 -16.511 1.983 1.00 0.00 C ATOM 246 C LEU A 14 5.254 -15.750 1.093 1.00 0.00 C ATOM 247 O LEU A 14 5.547 -14.641 0.642 1.00 0.00 O ATOM 248 CB LEU A 14 5.766 -16.511 3.448 1.00 0.00 C ATOM 249 CG LEU A 14 6.132 -15.260 4.257 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.312 -14.064 3.814 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.948 -15.511 5.743 1.00 0.00 C ATOM 0 H LEU A 14 7.610 -14.939 1.911 1.00 0.00 H new ATOM 0 HA LEU A 14 6.254 -17.535 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.683 -16.631 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.192 -17.382 3.946 1.00 0.00 H new ATOM 0 HG LEU A 14 7.182 -15.036 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.592 -13.192 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.501 -13.864 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.253 -14.275 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.213 -14.612 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.908 -15.768 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.591 -16.334 6.055 1.00 0.00 H new ATOM 263 N PRO A 15 4.102 -16.376 0.794 1.00 0.00 N ATOM 264 CA PRO A 15 2.976 -15.733 0.096 1.00 0.00 C ATOM 265 C PRO A 15 2.366 -14.586 0.895 1.00 0.00 C ATOM 266 O PRO A 15 3.060 -13.860 1.607 1.00 0.00 O ATOM 267 CB PRO A 15 1.955 -16.869 -0.044 1.00 0.00 C ATOM 268 CG PRO A 15 2.740 -18.111 0.100 1.00 0.00 C ATOM 269 CD PRO A 15 3.817 -17.791 1.082 1.00 0.00 C ATOM 0 HA PRO A 15 3.290 -15.290 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.182 -16.800 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.452 -16.830 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.116 -18.931 0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.161 -18.422 -0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.485 -17.937 2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.696 -18.419 0.939 1.00 0.00 H new ATOM 277 N VAL A 16 1.063 -14.414 0.735 1.00 0.00 N ATOM 278 CA VAL A 16 0.311 -13.420 1.492 1.00 0.00 C ATOM 279 C VAL A 16 0.655 -13.482 2.985 1.00 0.00 C ATOM 280 O VAL A 16 0.677 -14.552 3.598 1.00 0.00 O ATOM 281 CB VAL A 16 -1.213 -13.582 1.284 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.696 -14.941 1.765 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.979 -12.456 1.965 1.00 0.00 C ATOM 0 H VAL A 16 0.498 -14.955 0.081 1.00 0.00 H new ATOM 0 HA VAL A 16 0.602 -12.440 1.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.409 -13.523 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.771 -15.023 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.185 -15.727 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.478 -15.049 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.048 -12.594 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.769 -12.468 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.669 -11.499 1.545 1.00 0.00 H new ATOM 293 N ILE A 17 0.957 -12.325 3.547 1.00 0.00 N ATOM 294 CA ILE A 17 1.389 -12.225 4.930 1.00 0.00 C ATOM 295 C ILE A 17 0.226 -11.847 5.821 1.00 0.00 C ATOM 296 O ILE A 17 -0.280 -12.661 6.593 1.00 0.00 O ATOM 297 CB ILE A 17 2.511 -11.175 5.106 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.087 -10.759 3.750 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.614 -11.731 5.982 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.077 -9.618 3.829 1.00 0.00 C ATOM 0 H ILE A 17 0.910 -11.430 3.059 1.00 0.00 H new ATOM 0 HA ILE A 17 1.777 -13.203 5.214 1.00 0.00 H new ATOM 0 HB ILE A 17 2.080 -10.295 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.576 -11.620 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.268 -10.471 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.398 -10.983 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.208 -11.986 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.031 -12.625 5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.440 -9.381 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.589 -8.741 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.917 -9.908 4.461 1.00 0.00 H new ATOM 312 N ASP A 18 -0.163 -10.589 5.709 1.00 0.00 N ATOM 313 CA ASP A 18 -1.306 -10.028 6.440 1.00 0.00 C ATOM 314 C ASP A 18 -1.067 -10.023 7.946 1.00 0.00 C ATOM 315 O ASP A 18 -1.979 -9.773 8.726 1.00 0.00 O ATOM 316 CB ASP A 18 -2.598 -10.784 6.110 1.00 0.00 C ATOM 317 CG ASP A 18 -3.229 -10.331 4.807 1.00 0.00 C ATOM 318 OD1 ASP A 18 -4.469 -10.412 4.691 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.490 -9.874 3.904 1.00 0.00 O ATOM 0 H ASP A 18 0.305 -9.914 5.104 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.416 -8.994 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.384 -11.851 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.312 -10.645 6.922 1.00 0.00 H new ATOM 324 N ASN A 19 0.174 -10.268 8.344 1.00 0.00 N ATOM 325 CA ASN A 19 0.554 -10.273 9.754 1.00 0.00 C ATOM 326 C ASN A 19 0.788 -8.842 10.235 1.00 0.00 C ATOM 327 O ASN A 19 1.904 -8.478 10.612 1.00 0.00 O ATOM 328 CB ASN A 19 1.825 -11.116 9.937 1.00 0.00 C ATOM 329 CG ASN A 19 2.229 -11.292 11.390 1.00 0.00 C ATOM 330 OD1 ASN A 19 1.384 -11.327 12.284 1.00 0.00 O ATOM 331 ND2 ASN A 19 3.526 -11.413 11.632 1.00 0.00 N ATOM 0 H ASN A 19 0.943 -10.468 7.705 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.250 -10.710 10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.668 -12.098 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.645 -10.646 9.394 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.857 -11.541 12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.194 -11.378 10.862 1.00 0.00 H new ATOM 338 N LEU A 20 -0.266 -8.018 10.164 1.00 0.00 N ATOM 339 CA LEU A 20 -0.193 -6.595 10.477 1.00 0.00 C ATOM 340 C LEU A 20 0.767 -5.877 9.518 1.00 0.00 C ATOM 341 O LEU A 20 0.980 -4.677 9.621 1.00 0.00 O ATOM 342 CB LEU A 20 0.241 -6.399 11.931 1.00 0.00 C ATOM 343 CG LEU A 20 -0.617 -5.432 12.757 1.00 0.00 C ATOM 344 CD1 LEU A 20 -0.173 -5.444 14.210 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.555 -4.019 12.196 1.00 0.00 C ATOM 0 H LEU A 20 -1.197 -8.328 9.885 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.183 -6.157 10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.239 -7.370 12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.270 -6.040 11.938 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.652 -5.769 12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.790 -4.753 14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.281 -6.450 14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.871 -5.137 14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.174 -3.359 12.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.476 -3.666 12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.923 -4.018 11.170 1.00 0.00 H new ATOM 357 N PHE A 21 1.303 -6.625 8.559 1.00 0.00 N ATOM 358 CA PHE A 21 2.301 -6.116 7.635 1.00 0.00 C ATOM 359 C PHE A 21 1.743 -5.000 6.765 1.00 0.00 C ATOM 360 O PHE A 21 2.219 -3.870 6.822 1.00 0.00 O ATOM 361 CB PHE A 21 2.825 -7.259 6.765 1.00 0.00 C ATOM 362 CG PHE A 21 4.107 -7.860 7.266 1.00 0.00 C ATOM 363 CD1 PHE A 21 5.330 -7.375 6.831 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.090 -8.910 8.168 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.512 -7.926 7.287 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.269 -9.466 8.627 1.00 0.00 C ATOM 367 CZ PHE A 21 6.482 -8.973 8.186 1.00 0.00 C ATOM 0 H PHE A 21 1.055 -7.602 8.403 1.00 0.00 H new ATOM 0 HA PHE A 21 3.121 -5.696 8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.066 -8.039 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.979 -6.891 5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.360 -6.556 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.145 -9.299 8.517 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.458 -7.538 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.242 -10.285 9.330 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.405 -9.406 8.544 1.00 0.00 H new ATOM 377 N GLY A 22 0.723 -5.319 5.979 1.00 0.00 N ATOM 378 CA GLY A 22 0.157 -4.344 5.065 1.00 0.00 C ATOM 379 C GLY A 22 -0.422 -3.160 5.796 1.00 0.00 C ATOM 380 O GLY A 22 -0.339 -2.024 5.330 1.00 0.00 O ATOM 0 H GLY A 22 0.277 -6.236 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.928 -4.003 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.621 -4.817 4.466 1.00 0.00 H new ATOM 384 N LYS A 23 -0.996 -3.433 6.955 1.00 0.00 N ATOM 385 CA LYS A 23 -1.577 -2.407 7.782 1.00 0.00 C ATOM 386 C LYS A 23 -0.495 -1.490 8.351 1.00 0.00 C ATOM 387 O LYS A 23 -0.702 -0.291 8.460 1.00 0.00 O ATOM 388 CB LYS A 23 -2.396 -3.061 8.891 1.00 0.00 C ATOM 389 CG LYS A 23 -3.722 -3.636 8.411 1.00 0.00 C ATOM 390 CD LYS A 23 -4.655 -2.545 7.900 1.00 0.00 C ATOM 391 CE LYS A 23 -5.997 -3.114 7.461 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.957 -2.050 7.056 1.00 0.00 N ATOM 0 H LYS A 23 -1.069 -4.374 7.343 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.238 -1.785 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.807 -3.858 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.590 -2.324 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.539 -4.360 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.203 -4.174 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.812 -1.804 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.187 -2.028 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.843 -3.798 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.426 -3.696 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.793 -2.083 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.500 -1.120 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.249 -2.203 6.070 1.00 0.00 H new ATOM 406 N GLU A 24 0.657 -2.064 8.691 1.00 0.00 N ATOM 407 CA GLU A 24 1.813 -1.311 9.148 1.00 0.00 C ATOM 408 C GLU A 24 2.313 -0.361 8.070 1.00 0.00 C ATOM 409 O GLU A 24 2.476 0.838 8.301 1.00 0.00 O ATOM 410 CB GLU A 24 2.909 -2.296 9.502 1.00 0.00 C ATOM 411 CG GLU A 24 3.149 -2.436 10.982 1.00 0.00 C ATOM 412 CD GLU A 24 3.994 -1.312 11.536 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.467 -0.488 12.315 1.00 0.00 O ATOM 414 OE2 GLU A 24 5.191 -1.238 11.187 1.00 0.00 O ATOM 0 H GLU A 24 0.811 -3.072 8.655 1.00 0.00 H new ATOM 0 HA GLU A 24 1.531 -0.714 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.653 -3.273 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.836 -1.982 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.191 -2.458 11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.641 -3.388 11.179 1.00 0.00 H new ATOM 421 N LEU A 25 2.573 -0.922 6.897 1.00 0.00 N ATOM 422 CA LEU A 25 3.032 -0.156 5.743 1.00 0.00 C ATOM 423 C LEU A 25 2.086 1.016 5.480 1.00 0.00 C ATOM 424 O LEU A 25 2.475 2.182 5.559 1.00 0.00 O ATOM 425 CB LEU A 25 3.047 -1.050 4.509 1.00 0.00 C ATOM 426 CG LEU A 25 3.575 -2.461 4.726 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.401 -3.287 3.470 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.025 -2.436 5.161 1.00 0.00 C ATOM 0 H LEU A 25 2.472 -1.921 6.717 1.00 0.00 H new ATOM 0 HA LEU A 25 4.034 0.219 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.032 -1.117 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.652 -0.569 3.741 1.00 0.00 H new ATOM 0 HG LEU A 25 2.997 -2.925 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.783 -4.293 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.343 -3.339 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.951 -2.824 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.378 -3.457 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.627 -1.952 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.115 -1.882 6.095 1.00 0.00 H new ATOM 440 N LEU A 26 0.836 0.676 5.170 1.00 0.00 N ATOM 441 CA LEU A 26 -0.204 1.650 4.893 1.00 0.00 C ATOM 442 C LEU A 26 -0.449 2.610 6.055 1.00 0.00 C ATOM 443 O LEU A 26 -0.913 3.721 5.843 1.00 0.00 O ATOM 444 CB LEU A 26 -1.502 0.925 4.537 1.00 0.00 C ATOM 445 CG LEU A 26 -1.553 0.366 3.117 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.672 -0.653 2.970 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.698 1.477 2.127 1.00 0.00 C ATOM 0 H LEU A 26 0.520 -0.292 5.105 1.00 0.00 H new ATOM 0 HA LEU A 26 0.139 2.254 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.649 0.106 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.336 1.614 4.672 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.614 -0.150 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.685 -1.034 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.507 -1.478 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.628 -0.178 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.733 1.064 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.619 2.025 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.848 2.154 2.212 1.00 0.00 H new ATOM 459 N ASP A 27 -0.167 2.185 7.279 1.00 0.00 N ATOM 460 CA ASP A 27 -0.327 3.063 8.440 1.00 0.00 C ATOM 461 C ASP A 27 0.676 4.208 8.391 1.00 0.00 C ATOM 462 O ASP A 27 0.331 5.364 8.637 1.00 0.00 O ATOM 463 CB ASP A 27 -0.154 2.277 9.743 1.00 0.00 C ATOM 464 CG ASP A 27 -0.168 3.161 10.972 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.248 3.683 11.325 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.899 3.326 11.600 1.00 0.00 O ATOM 0 H ASP A 27 0.171 1.248 7.497 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.335 3.476 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.951 1.538 9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.787 1.728 9.708 1.00 0.00 H new ATOM 471 N LYS A 28 1.910 3.878 8.049 1.00 0.00 N ATOM 472 CA LYS A 28 2.978 4.865 7.978 1.00 0.00 C ATOM 473 C LYS A 28 2.803 5.765 6.764 1.00 0.00 C ATOM 474 O LYS A 28 2.991 6.978 6.837 1.00 0.00 O ATOM 475 CB LYS A 28 4.333 4.162 7.909 1.00 0.00 C ATOM 476 CG LYS A 28 4.538 3.158 9.026 1.00 0.00 C ATOM 477 CD LYS A 28 5.891 2.480 8.940 1.00 0.00 C ATOM 478 CE LYS A 28 6.034 1.419 10.016 1.00 0.00 C ATOM 479 NZ LYS A 28 5.800 1.967 11.382 1.00 0.00 N ATOM 0 H LYS A 28 2.200 2.929 7.815 1.00 0.00 H new ATOM 0 HA LYS A 28 2.935 5.482 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.423 3.653 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.126 4.909 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.446 3.662 9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.752 2.404 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.013 2.025 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.682 3.222 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.327 0.612 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.033 0.986 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.119 1.277 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.333 2.853 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.785 2.154 11.512 1.00 0.00 H new ATOM 493 N PHE A 29 2.422 5.163 5.648 1.00 0.00 N ATOM 494 CA PHE A 29 2.292 5.900 4.400 1.00 0.00 C ATOM 495 C PHE A 29 0.898 6.462 4.223 1.00 0.00 C ATOM 496 O PHE A 29 0.624 7.103 3.222 1.00 0.00 O ATOM 497 CB PHE A 29 2.653 5.016 3.212 1.00 0.00 C ATOM 498 CG PHE A 29 4.097 4.643 3.195 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.036 5.499 2.645 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.517 3.450 3.745 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.373 5.168 2.647 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.853 3.110 3.748 1.00 0.00 C ATOM 503 CZ PHE A 29 6.782 3.972 3.200 1.00 0.00 C ATOM 0 H PHE A 29 2.198 4.170 5.580 1.00 0.00 H new ATOM 0 HA PHE A 29 2.989 6.737 4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.047 4.110 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.405 5.537 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.717 6.435 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.792 2.776 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.099 5.842 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.172 2.172 4.178 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.830 3.710 3.204 1.00 0.00 H new ATOM 513 N GLN A 30 0.026 6.224 5.193 1.00 0.00 N ATOM 514 CA GLN A 30 -1.316 6.749 5.168 1.00 0.00 C ATOM 515 C GLN A 30 -1.305 8.244 4.904 1.00 0.00 C ATOM 516 O GLN A 30 -2.073 8.747 4.090 1.00 0.00 O ATOM 517 CB GLN A 30 -1.980 6.462 6.504 1.00 0.00 C ATOM 518 CG GLN A 30 -3.389 6.934 6.563 1.00 0.00 C ATOM 519 CD GLN A 30 -3.992 6.827 7.948 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.918 7.763 8.745 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.580 5.681 8.248 1.00 0.00 N ATOM 0 H GLN A 30 0.237 5.660 6.016 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.874 6.269 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.953 5.389 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.408 6.941 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.433 7.972 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.991 6.352 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.619 4.932 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.995 5.547 9.170 1.00 0.00 H new ATOM 530 N ASP A 31 -0.406 8.936 5.583 1.00 0.00 N ATOM 531 CA ASP A 31 -0.282 10.377 5.449 1.00 0.00 C ATOM 532 C ASP A 31 0.157 10.773 4.040 1.00 0.00 C ATOM 533 O ASP A 31 -0.237 11.819 3.544 1.00 0.00 O ATOM 534 CB ASP A 31 0.713 10.908 6.485 1.00 0.00 C ATOM 535 CG ASP A 31 0.947 12.398 6.362 1.00 0.00 C ATOM 536 OD1 ASP A 31 1.990 12.795 5.808 1.00 0.00 O ATOM 537 OD2 ASP A 31 0.087 13.177 6.820 1.00 0.00 O ATOM 0 H ASP A 31 0.254 8.518 6.238 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.262 10.821 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.343 10.684 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.663 10.385 6.372 1.00 0.00 H new ATOM 542 N ASP A 32 0.949 9.922 3.391 1.00 0.00 N ATOM 543 CA ASP A 32 1.455 10.214 2.047 1.00 0.00 C ATOM 544 C ASP A 32 0.433 9.797 0.999 1.00 0.00 C ATOM 545 O ASP A 32 0.194 10.501 0.017 1.00 0.00 O ATOM 546 CB ASP A 32 2.771 9.485 1.794 1.00 0.00 C ATOM 547 CG ASP A 32 3.506 10.030 0.586 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.449 9.404 -0.491 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.139 11.101 0.709 1.00 0.00 O ATOM 0 H ASP A 32 1.255 9.026 3.771 1.00 0.00 H new ATOM 0 HA ASP A 32 1.629 11.288 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.408 9.573 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.574 8.423 1.648 1.00 0.00 H new ATOM 554 N ILE A 33 -0.168 8.643 1.229 1.00 0.00 N ATOM 555 CA ILE A 33 -1.214 8.114 0.372 1.00 0.00 C ATOM 556 C ILE A 33 -2.427 9.045 0.384 1.00 0.00 C ATOM 557 O ILE A 33 -3.098 9.237 -0.630 1.00 0.00 O ATOM 558 CB ILE A 33 -1.614 6.690 0.840 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.419 5.738 0.691 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.809 6.168 0.058 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.610 4.395 1.365 1.00 0.00 C ATOM 0 H ILE A 33 0.058 8.042 2.022 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.839 8.051 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.902 6.742 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.227 5.576 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.468 6.218 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.065 5.168 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.660 6.833 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.560 6.127 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.278 3.782 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.770 4.543 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.476 3.892 0.935 1.00 0.00 H new ATOM 573 N LYS A 34 -2.679 9.649 1.530 1.00 0.00 N ATOM 574 CA LYS A 34 -3.771 10.591 1.678 1.00 0.00 C ATOM 575 C LYS A 34 -3.338 11.956 1.163 1.00 0.00 C ATOM 576 O LYS A 34 -4.129 12.699 0.592 1.00 0.00 O ATOM 577 CB LYS A 34 -4.177 10.659 3.140 1.00 0.00 C ATOM 578 CG LYS A 34 -5.534 11.288 3.381 1.00 0.00 C ATOM 579 CD LYS A 34 -6.013 10.988 4.788 1.00 0.00 C ATOM 580 CE LYS A 34 -7.432 11.474 5.031 1.00 0.00 C ATOM 581 NZ LYS A 34 -8.421 10.785 4.161 1.00 0.00 N ATOM 0 H LYS A 34 -2.135 9.501 2.380 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.632 10.265 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.179 9.650 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.424 11.226 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.474 12.366 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.253 10.906 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.964 9.913 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.342 11.460 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.695 11.311 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.481 12.548 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.382 10.966 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.338 11.144 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.237 9.762 4.169 1.00 0.00 H new ATOM 595 N ASP A 35 -2.063 12.254 1.362 1.00 0.00 N ATOM 596 CA ASP A 35 -1.439 13.470 0.845 1.00 0.00 C ATOM 597 C ASP A 35 -1.607 13.581 -0.665 1.00 0.00 C ATOM 598 O ASP A 35 -1.993 14.625 -1.189 1.00 0.00 O ATOM 599 CB ASP A 35 0.050 13.463 1.192 1.00 0.00 C ATOM 600 CG ASP A 35 0.846 14.571 0.532 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.425 14.329 -0.550 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.932 15.674 1.114 1.00 0.00 O ATOM 0 H ASP A 35 -1.425 11.658 1.889 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.929 14.328 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.160 13.546 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.475 12.502 0.901 1.00 0.00 H new ATOM 607 N LYS A 36 -1.323 12.490 -1.354 1.00 0.00 N ATOM 608 CA LYS A 36 -1.283 12.492 -2.804 1.00 0.00 C ATOM 609 C LYS A 36 -2.590 12.037 -3.438 1.00 0.00 C ATOM 610 O LYS A 36 -3.048 12.626 -4.420 1.00 0.00 O ATOM 611 CB LYS A 36 -0.143 11.608 -3.272 1.00 0.00 C ATOM 612 CG LYS A 36 1.203 12.250 -3.054 1.00 0.00 C ATOM 613 CD LYS A 36 2.294 11.223 -2.984 1.00 0.00 C ATOM 614 CE LYS A 36 3.628 11.863 -2.649 1.00 0.00 C ATOM 615 NZ LYS A 36 3.568 12.628 -1.374 1.00 0.00 N ATOM 0 H LYS A 36 -1.116 11.586 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.126 13.522 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.181 10.658 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.270 11.385 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.410 12.949 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.186 12.829 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.046 10.476 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.367 10.701 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.393 11.091 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.926 12.529 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.832 13.618 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.602 12.590 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.228 12.211 -0.687 1.00 0.00 H new ATOM 629 N TYR A 37 -3.192 10.992 -2.891 1.00 0.00 N ATOM 630 CA TYR A 37 -4.332 10.365 -3.547 1.00 0.00 C ATOM 631 C TYR A 37 -5.623 10.599 -2.769 1.00 0.00 C ATOM 632 O TYR A 37 -6.712 10.357 -3.285 1.00 0.00 O ATOM 633 CB TYR A 37 -4.082 8.862 -3.713 1.00 0.00 C ATOM 634 CG TYR A 37 -2.632 8.507 -3.968 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.947 9.012 -5.065 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.947 7.673 -3.096 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.620 8.695 -5.281 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.623 7.349 -3.306 1.00 0.00 C ATOM 639 CZ TYR A 37 0.038 7.864 -4.398 1.00 0.00 C ATOM 640 OH TYR A 37 1.359 7.540 -4.612 1.00 0.00 O ATOM 0 H TYR A 37 -2.916 10.564 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.446 10.823 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.420 8.346 -2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.688 8.492 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.459 9.662 -5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.461 7.270 -2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.099 9.096 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.108 6.695 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 37 1.930 8.108 -4.053 1.00 0.00 H new ATOM 650 N GLY A 38 -5.495 11.069 -1.534 1.00 0.00 N ATOM 651 CA GLY A 38 -6.665 11.321 -0.708 1.00 0.00 C ATOM 652 C GLY A 38 -7.357 10.040 -0.286 1.00 0.00 C ATOM 653 O GLY A 38 -8.571 9.897 -0.437 1.00 0.00 O ATOM 0 H GLY A 38 -4.602 11.281 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.367 11.880 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.368 11.947 -1.258 1.00 0.00 H new ATOM 657 N VAL A 39 -6.580 9.104 0.244 1.00 0.00 N ATOM 658 CA VAL A 39 -7.091 7.797 0.619 1.00 0.00 C ATOM 659 C VAL A 39 -6.963 7.573 2.122 1.00 0.00 C ATOM 660 O VAL A 39 -6.091 8.142 2.773 1.00 0.00 O ATOM 661 CB VAL A 39 -6.305 6.691 -0.103 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.927 5.327 0.133 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.204 6.976 -1.591 1.00 0.00 C ATOM 0 H VAL A 39 -5.584 9.231 0.424 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.142 7.760 0.333 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.298 6.681 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.347 4.567 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.930 5.108 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.951 5.324 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.643 6.178 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.205 7.030 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.692 7.926 -1.746 1.00 0.00 H new ATOM 673 N ASP A 40 -7.841 6.746 2.659 1.00 0.00 N ATOM 674 CA ASP A 40 -7.757 6.318 4.047 1.00 0.00 C ATOM 675 C ASP A 40 -7.410 4.835 4.099 1.00 0.00 C ATOM 676 O ASP A 40 -8.167 3.994 3.614 1.00 0.00 O ATOM 677 CB ASP A 40 -9.080 6.583 4.769 1.00 0.00 C ATOM 678 CG ASP A 40 -9.093 6.057 6.192 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.007 5.882 6.785 1.00 0.00 O ATOM 680 OD2 ASP A 40 -10.200 5.826 6.726 1.00 0.00 O ATOM 0 H ASP A 40 -8.631 6.352 2.149 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.976 6.887 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.272 7.656 4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.893 6.120 4.209 1.00 0.00 H new ATOM 685 N THR A 41 -6.268 4.518 4.690 1.00 0.00 N ATOM 686 CA THR A 41 -5.763 3.153 4.689 1.00 0.00 C ATOM 687 C THR A 41 -6.528 2.268 5.664 1.00 0.00 C ATOM 688 O THR A 41 -6.437 1.039 5.613 1.00 0.00 O ATOM 689 CB THR A 41 -4.265 3.117 5.023 1.00 0.00 C ATOM 690 OG1 THR A 41 -4.016 3.811 6.250 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.454 3.755 3.907 1.00 0.00 C ATOM 0 H THR A 41 -5.673 5.188 5.177 1.00 0.00 H new ATOM 0 HA THR A 41 -5.911 2.762 3.682 1.00 0.00 H new ATOM 0 HB THR A 41 -3.964 2.075 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.146 3.199 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.395 3.720 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.622 3.210 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.763 4.793 3.780 1.00 0.00 H new ATOM 699 N LYS A 42 -7.290 2.899 6.542 1.00 0.00 N ATOM 700 CA LYS A 42 -8.123 2.188 7.485 1.00 0.00 C ATOM 701 C LYS A 42 -9.374 1.659 6.782 1.00 0.00 C ATOM 702 O LYS A 42 -10.045 0.750 7.270 1.00 0.00 O ATOM 703 CB LYS A 42 -8.485 3.129 8.632 1.00 0.00 C ATOM 704 CG LYS A 42 -9.524 2.579 9.581 1.00 0.00 C ATOM 705 CD LYS A 42 -9.821 3.563 10.697 1.00 0.00 C ATOM 706 CE LYS A 42 -11.053 3.164 11.486 1.00 0.00 C ATOM 707 NZ LYS A 42 -12.269 3.136 10.633 1.00 0.00 N ATOM 0 H LYS A 42 -7.345 3.915 6.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.585 1.331 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.581 3.361 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.851 4.068 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.440 2.358 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.172 1.639 10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.963 3.622 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.966 4.558 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.898 2.181 11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.201 3.865 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.114 3.249 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.226 3.912 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.319 2.227 10.130 1.00 0.00 H new ATOM 721 N ASP A 43 -9.662 2.214 5.613 1.00 0.00 N ATOM 722 CA ASP A 43 -10.836 1.815 4.847 1.00 0.00 C ATOM 723 C ASP A 43 -10.430 0.844 3.747 1.00 0.00 C ATOM 724 O ASP A 43 -11.262 0.139 3.175 1.00 0.00 O ATOM 725 CB ASP A 43 -11.519 3.047 4.250 1.00 0.00 C ATOM 726 CG ASP A 43 -12.863 2.736 3.617 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.027 2.981 2.403 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.769 2.265 4.339 1.00 0.00 O ATOM 0 H ASP A 43 -9.099 2.942 5.174 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.543 1.317 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.657 3.793 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.864 3.490 3.499 1.00 0.00 H new ATOM 733 N LEU A 44 -9.133 0.808 3.470 1.00 0.00 N ATOM 734 CA LEU A 44 -8.586 -0.091 2.466 1.00 0.00 C ATOM 735 C LEU A 44 -8.699 -1.537 2.920 1.00 0.00 C ATOM 736 O LEU A 44 -8.170 -1.914 3.970 1.00 0.00 O ATOM 737 CB LEU A 44 -7.119 0.231 2.189 1.00 0.00 C ATOM 738 CG LEU A 44 -6.844 1.614 1.608 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.345 1.844 1.497 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.511 1.763 0.248 1.00 0.00 C ATOM 0 H LEU A 44 -8.438 1.395 3.930 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.163 0.048 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.562 0.131 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.726 -0.517 1.501 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.264 2.365 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.159 2.834 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.892 1.775 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.908 1.088 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.304 2.756 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.119 1.008 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.588 1.632 0.355 1.00 0.00 H new ATOM 752 N LYS A 45 -9.387 -2.336 2.128 1.00 0.00 N ATOM 753 CA LYS A 45 -9.514 -3.749 2.393 1.00 0.00 C ATOM 754 C LYS A 45 -8.319 -4.490 1.823 1.00 0.00 C ATOM 755 O LYS A 45 -8.229 -4.692 0.617 1.00 0.00 O ATOM 756 CB LYS A 45 -10.803 -4.273 1.780 1.00 0.00 C ATOM 757 CG LYS A 45 -10.976 -5.766 1.936 1.00 0.00 C ATOM 758 CD LYS A 45 -10.924 -6.199 3.389 1.00 0.00 C ATOM 759 CE LYS A 45 -10.992 -7.711 3.515 1.00 0.00 C ATOM 760 NZ LYS A 45 -10.928 -8.154 4.930 1.00 0.00 N ATOM 0 H LYS A 45 -9.871 -2.022 1.287 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.545 -3.912 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.650 -3.766 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.821 -4.021 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.930 -6.067 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.195 -6.281 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.005 -5.834 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.753 -5.748 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.916 -8.071 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.169 -8.159 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.977 -9.192 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.034 -7.833 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.727 -7.748 5.457 1.00 0.00 H new ATOM 774 N ILE A 46 -7.393 -4.875 2.681 1.00 0.00 N ATOM 775 CA ILE A 46 -6.212 -5.580 2.229 1.00 0.00 C ATOM 776 C ILE A 46 -6.577 -7.005 1.832 1.00 0.00 C ATOM 777 O ILE A 46 -7.016 -7.809 2.655 1.00 0.00 O ATOM 778 CB ILE A 46 -5.087 -5.580 3.287 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.722 -4.134 3.660 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.867 -6.323 2.755 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.538 -4.010 4.594 1.00 0.00 C ATOM 0 H ILE A 46 -7.436 -4.712 3.687 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.826 -5.050 1.358 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.437 -6.093 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.509 -3.579 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.587 -3.662 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.080 -6.317 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.140 -7.353 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.507 -5.832 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.350 -2.957 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.753 -4.534 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.657 -4.449 4.125 1.00 0.00 H new ATOM 793 N LEU A 47 -6.419 -7.282 0.552 1.00 0.00 N ATOM 794 CA LEU A 47 -6.763 -8.569 -0.025 1.00 0.00 C ATOM 795 C LEU A 47 -5.587 -9.518 0.100 1.00 0.00 C ATOM 796 O LEU A 47 -5.754 -10.721 0.307 1.00 0.00 O ATOM 797 CB LEU A 47 -7.105 -8.395 -1.504 1.00 0.00 C ATOM 798 CG LEU A 47 -7.973 -7.180 -1.835 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.170 -7.064 -3.340 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.317 -7.273 -1.127 1.00 0.00 C ATOM 0 H LEU A 47 -6.045 -6.615 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.622 -8.977 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.176 -8.322 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.618 -9.293 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.462 -6.284 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.790 -6.195 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.201 -6.951 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.661 -7.963 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.920 -6.400 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.836 -8.176 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.159 -7.310 -0.049 1.00 0.00 H new ATOM 812 N LYS A 48 -4.396 -8.961 -0.039 1.00 0.00 N ATOM 813 CA LYS A 48 -3.180 -9.738 -0.009 1.00 0.00 C ATOM 814 C LYS A 48 -1.992 -8.856 0.323 1.00 0.00 C ATOM 815 O LYS A 48 -1.576 -8.029 -0.492 1.00 0.00 O ATOM 816 CB LYS A 48 -2.924 -10.405 -1.359 1.00 0.00 C ATOM 817 CG LYS A 48 -1.728 -11.339 -1.324 1.00 0.00 C ATOM 818 CD LYS A 48 -1.233 -11.720 -2.708 1.00 0.00 C ATOM 819 CE LYS A 48 -2.069 -12.820 -3.355 1.00 0.00 C ATOM 820 NZ LYS A 48 -3.442 -12.373 -3.712 1.00 0.00 N ATOM 0 H LYS A 48 -4.250 -7.961 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.301 -10.503 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.810 -10.964 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.760 -9.637 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.918 -10.862 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.996 -12.244 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.244 -10.838 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.197 -12.051 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.563 -13.173 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.135 -13.668 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.736 -12.828 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.102 -12.637 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.450 -11.340 -3.834 1.00 0.00 H new ATOM 834 N THR A 49 -1.457 -9.019 1.512 1.00 0.00 N ATOM 835 CA THR A 49 -0.205 -8.390 1.853 1.00 0.00 C ATOM 836 C THR A 49 0.926 -9.290 1.402 1.00 0.00 C ATOM 837 O THR A 49 0.873 -10.494 1.619 1.00 0.00 O ATOM 838 CB THR A 49 -0.060 -8.163 3.366 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.227 -7.529 3.894 1.00 0.00 O ATOM 840 CG2 THR A 49 1.159 -7.310 3.654 1.00 0.00 C ATOM 0 H THR A 49 -1.870 -9.581 2.256 1.00 0.00 H new ATOM 0 HA THR A 49 -0.175 -7.419 1.358 1.00 0.00 H new ATOM 0 HB THR A 49 0.060 -9.134 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.888 -8.211 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.250 -7.157 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.051 -7.813 3.282 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.053 -6.345 3.158 1.00 0.00 H new ATOM 848 N SER A 50 1.928 -8.726 0.768 1.00 0.00 N ATOM 849 CA SER A 50 3.086 -9.500 0.366 1.00 0.00 C ATOM 850 C SER A 50 4.252 -8.587 0.054 1.00 0.00 C ATOM 851 O SER A 50 4.149 -7.365 0.175 1.00 0.00 O ATOM 852 CB SER A 50 2.750 -10.365 -0.853 1.00 0.00 C ATOM 853 OG SER A 50 2.037 -9.620 -1.830 1.00 0.00 O ATOM 0 H SER A 50 1.968 -7.738 0.519 1.00 0.00 H new ATOM 0 HA SER A 50 3.368 -10.153 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.669 -10.756 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.155 -11.223 -0.541 1.00 0.00 H new ATOM 0 HG SER A 50 1.983 -8.682 -1.551 1.00 0.00 H new ATOM 859 N GLU A 51 5.352 -9.188 -0.337 1.00 0.00 N ATOM 860 CA GLU A 51 6.525 -8.450 -0.749 1.00 0.00 C ATOM 861 C GLU A 51 7.360 -9.311 -1.671 1.00 0.00 C ATOM 862 O GLU A 51 7.165 -10.527 -1.743 1.00 0.00 O ATOM 863 CB GLU A 51 7.363 -8.014 0.453 1.00 0.00 C ATOM 864 CG GLU A 51 7.828 -9.165 1.325 1.00 0.00 C ATOM 865 CD GLU A 51 9.001 -8.784 2.200 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.146 -9.093 1.816 1.00 0.00 O ATOM 867 OE2 GLU A 51 8.794 -8.158 3.255 1.00 0.00 O ATOM 0 H GLU A 51 5.460 -10.201 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 51 6.198 -7.551 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.235 -7.465 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.778 -7.323 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.002 -9.499 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.108 -10.007 0.692 1.00 0.00 H new ATOM 874 N ASP A 52 8.277 -8.683 -2.374 1.00 0.00 N ATOM 875 CA ASP A 52 9.164 -9.390 -3.272 1.00 0.00 C ATOM 876 C ASP A 52 10.415 -8.563 -3.501 1.00 0.00 C ATOM 877 O ASP A 52 10.363 -7.514 -4.144 1.00 0.00 O ATOM 878 CB ASP A 52 8.467 -9.679 -4.602 1.00 0.00 C ATOM 879 CG ASP A 52 9.175 -10.746 -5.403 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.857 -11.939 -5.211 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.048 -10.409 -6.229 1.00 0.00 O ATOM 0 H ASP A 52 8.428 -7.675 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 52 9.440 -10.343 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.441 -9.993 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.416 -8.762 -5.189 1.00 0.00 H new ATOM 886 N LYS A 53 11.526 -9.021 -2.934 1.00 0.00 N ATOM 887 CA LYS A 53 12.801 -8.322 -3.043 1.00 0.00 C ATOM 888 C LYS A 53 12.689 -6.886 -2.521 1.00 0.00 C ATOM 889 O LYS A 53 12.386 -6.656 -1.351 1.00 0.00 O ATOM 890 CB LYS A 53 13.296 -8.322 -4.498 1.00 0.00 C ATOM 891 CG LYS A 53 13.641 -9.700 -5.039 1.00 0.00 C ATOM 892 CD LYS A 53 14.903 -10.253 -4.401 1.00 0.00 C ATOM 893 CE LYS A 53 15.295 -11.588 -5.009 1.00 0.00 C ATOM 894 NZ LYS A 53 16.620 -12.046 -4.520 1.00 0.00 N ATOM 0 H LYS A 53 11.568 -9.882 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 53 13.526 -8.853 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.528 -7.877 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.177 -7.685 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.811 -10.382 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.774 -9.644 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.718 -9.541 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.748 -10.372 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.539 -12.335 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.318 -11.500 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.854 -12.960 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.345 -11.345 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.590 -12.154 -3.486 1.00 0.00 H new ATOM 908 N ARG A 54 12.878 -5.928 -3.414 1.00 0.00 N ATOM 909 CA ARG A 54 12.957 -4.522 -3.042 1.00 0.00 C ATOM 910 C ARG A 54 11.587 -3.860 -3.027 1.00 0.00 C ATOM 911 O ARG A 54 11.485 -2.634 -3.007 1.00 0.00 O ATOM 912 CB ARG A 54 13.867 -3.787 -4.027 1.00 0.00 C ATOM 913 CG ARG A 54 15.349 -4.006 -3.778 1.00 0.00 C ATOM 914 CD ARG A 54 16.190 -3.427 -4.901 1.00 0.00 C ATOM 915 NE ARG A 54 17.595 -3.295 -4.527 1.00 0.00 N ATOM 916 CZ ARG A 54 18.589 -3.970 -5.098 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.338 -4.867 -6.047 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.837 -3.739 -4.722 1.00 0.00 N ATOM 0 H ARG A 54 12.981 -6.101 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 54 13.365 -4.466 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.627 -4.112 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.654 -2.719 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.633 -3.543 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.550 -5.073 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.108 -4.066 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.797 -2.449 -5.180 1.00 0.00 H new ATOM 0 HE ARG A 54 17.830 -2.643 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.377 -5.042 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.106 -5.380 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.032 -3.047 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.604 -4.253 -5.156 1.00 0.00 H new ATOM 932 N PHE A 55 10.536 -4.659 -3.011 1.00 0.00 N ATOM 933 CA PHE A 55 9.192 -4.121 -3.177 1.00 0.00 C ATOM 934 C PHE A 55 8.197 -4.773 -2.226 1.00 0.00 C ATOM 935 O PHE A 55 8.229 -5.984 -2.020 1.00 0.00 O ATOM 936 CB PHE A 55 8.713 -4.329 -4.618 1.00 0.00 C ATOM 937 CG PHE A 55 9.661 -3.811 -5.667 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.647 -4.631 -6.197 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.567 -2.506 -6.121 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.519 -4.158 -7.159 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.438 -2.029 -7.083 1.00 0.00 C ATOM 942 CZ PHE A 55 11.415 -2.856 -7.601 1.00 0.00 C ATOM 0 H PHE A 55 10.581 -5.670 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 55 9.242 -3.057 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.552 -5.394 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.748 -3.837 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.734 -5.651 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.805 -1.854 -5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.281 -4.807 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.354 -1.009 -7.429 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.097 -2.484 -8.351 1.00 0.00 H new ATOM 952 N TYR A 56 7.331 -3.957 -1.641 1.00 0.00 N ATOM 953 CA TYR A 56 6.171 -4.456 -0.915 1.00 0.00 C ATOM 954 C TYR A 56 4.945 -4.398 -1.809 1.00 0.00 C ATOM 955 O TYR A 56 4.765 -3.444 -2.565 1.00 0.00 O ATOM 956 CB TYR A 56 5.912 -3.647 0.361 1.00 0.00 C ATOM 957 CG TYR A 56 6.592 -4.209 1.583 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.069 -5.319 2.234 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.751 -3.638 2.088 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.682 -5.845 3.352 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.370 -4.158 3.207 1.00 0.00 C ATOM 962 CZ TYR A 56 7.832 -5.263 3.834 1.00 0.00 C ATOM 963 OH TYR A 56 8.450 -5.793 4.942 1.00 0.00 O ATOM 0 H TYR A 56 7.411 -2.940 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 56 6.375 -5.487 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.251 -2.623 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.838 -3.604 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.167 -5.778 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.175 -2.774 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.262 -6.709 3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.271 -3.702 3.590 1.00 0.00 H new ATOM 0 HH TYR A 56 8.747 -6.706 4.746 1.00 0.00 H new ATOM 973 N TYR A 57 4.112 -5.420 -1.723 1.00 0.00 N ATOM 974 CA TYR A 57 2.917 -5.512 -2.547 1.00 0.00 C ATOM 975 C TYR A 57 1.682 -5.683 -1.674 1.00 0.00 C ATOM 976 O TYR A 57 1.366 -6.794 -1.242 1.00 0.00 O ATOM 977 CB TYR A 57 3.022 -6.694 -3.515 1.00 0.00 C ATOM 978 CG TYR A 57 4.129 -6.569 -4.539 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.899 -5.950 -5.759 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.399 -7.075 -4.290 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.899 -5.841 -6.702 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.407 -6.966 -5.228 1.00 0.00 C ATOM 983 CZ TYR A 57 6.151 -6.349 -6.433 1.00 0.00 C ATOM 984 OH TYR A 57 7.149 -6.229 -7.374 1.00 0.00 O ATOM 0 H TYR A 57 4.242 -6.205 -1.085 1.00 0.00 H new ATOM 0 HA TYR A 57 2.828 -4.588 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.178 -7.606 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.072 -6.805 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.920 -5.547 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.601 -7.562 -3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.701 -5.359 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.390 -7.362 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 57 7.972 -6.637 -7.032 1.00 0.00 H new ATOM 994 N VAL A 58 0.996 -4.586 -1.390 1.00 0.00 N ATOM 995 CA VAL A 58 -0.210 -4.644 -0.574 1.00 0.00 C ATOM 996 C VAL A 58 -1.451 -4.524 -1.444 1.00 0.00 C ATOM 997 O VAL A 58 -1.930 -3.421 -1.708 1.00 0.00 O ATOM 998 CB VAL A 58 -0.249 -3.530 0.490 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.273 -3.858 1.565 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.124 -3.308 1.092 1.00 0.00 C ATOM 0 H VAL A 58 1.250 -3.651 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.194 -5.609 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.551 -2.602 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.288 -3.061 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.260 -3.950 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.006 -4.799 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.070 -2.517 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.468 -4.229 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.823 -3.018 0.307 1.00 0.00 H new ATOM 1010 N SER A 59 -1.958 -5.654 -1.903 1.00 0.00 N ATOM 1011 CA SER A 59 -3.140 -5.665 -2.744 1.00 0.00 C ATOM 1012 C SER A 59 -4.361 -5.347 -1.897 1.00 0.00 C ATOM 1013 O SER A 59 -4.643 -6.044 -0.930 1.00 0.00 O ATOM 1014 CB SER A 59 -3.298 -7.026 -3.424 1.00 0.00 C ATOM 1015 OG SER A 59 -4.204 -6.963 -4.514 1.00 0.00 O ATOM 0 H SER A 59 -1.569 -6.576 -1.707 1.00 0.00 H new ATOM 0 HA SER A 59 -3.037 -4.909 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.327 -7.372 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.652 -7.757 -2.698 1.00 0.00 H new ATOM 0 HG SER A 59 -4.382 -6.026 -4.738 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.068 -4.282 -2.245 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.218 -3.844 -1.471 1.00 0.00 C ATOM 1023 C VAL A 60 -7.399 -3.537 -2.375 1.00 0.00 C ATOM 1024 O VAL A 60 -7.236 -3.242 -3.560 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.913 -2.587 -0.621 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.706 -2.822 0.268 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.709 -1.368 -1.510 1.00 0.00 C ATOM 0 H VAL A 60 -4.864 -3.704 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.461 -4.669 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.772 -2.392 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.508 -1.927 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.904 -3.660 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.837 -3.049 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.496 -0.497 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.872 -1.546 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.613 -1.187 -2.092 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.580 -3.617 -1.805 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.794 -3.227 -2.487 1.00 0.00 C ATOM 1039 C ASP A 61 -10.202 -1.843 -2.018 1.00 0.00 C ATOM 1040 O ASP A 61 -10.280 -1.587 -0.814 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.911 -4.232 -2.202 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.231 -3.842 -2.834 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.279 -4.045 -2.186 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.229 -3.328 -3.975 1.00 0.00 O ATOM 0 H ASP A 61 -8.726 -3.955 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.616 -3.211 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.613 -5.213 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.043 -4.324 -1.124 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.430 -0.945 -2.962 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.868 0.399 -2.630 1.00 0.00 C ATOM 1051 C ALA A 62 -12.382 0.406 -2.467 1.00 0.00 C ATOM 1052 O ALA A 62 -12.979 1.402 -2.055 1.00 0.00 O ATOM 1053 CB ALA A 62 -10.403 1.390 -3.690 1.00 0.00 C ATOM 0 H ALA A 62 -10.319 -1.122 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.421 0.711 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.740 2.392 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.315 1.377 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.821 1.111 -4.657 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.990 -0.729 -2.801 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.398 -0.941 -2.550 1.00 0.00 C ATOM 1061 C GLY A 63 -15.287 -0.219 -3.531 1.00 0.00 C ATOM 1062 O GLY A 63 -15.748 -0.802 -4.513 1.00 0.00 O ATOM 0 H GLY A 63 -12.520 -1.516 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.612 -2.009 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.635 -0.608 -1.540 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.499 1.059 -3.276 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.403 1.872 -4.074 1.00 0.00 C ATOM 1068 C ASP A 64 -15.825 2.151 -5.455 1.00 0.00 C ATOM 1069 O ASP A 64 -16.558 2.419 -6.408 1.00 0.00 O ATOM 1070 CB ASP A 64 -16.685 3.189 -3.345 1.00 0.00 C ATOM 1071 CG ASP A 64 -17.553 4.133 -4.149 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -17.034 5.172 -4.610 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -18.755 3.839 -4.324 1.00 0.00 O ATOM 0 H ASP A 64 -15.051 1.564 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 64 -17.334 1.321 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.174 2.975 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.740 3.680 -3.114 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.510 2.064 -5.568 1.00 0.00 N ATOM 1079 CA GLY A 65 -13.864 2.420 -6.812 1.00 0.00 C ATOM 1080 C GLY A 65 -12.961 1.337 -7.364 1.00 0.00 C ATOM 1081 O GLY A 65 -13.405 0.466 -8.111 1.00 0.00 O ATOM 0 H GLY A 65 -13.882 1.755 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.628 2.655 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.278 3.326 -6.660 1.00 0.00 H new ATOM 1085 N GLU A 66 -11.700 1.380 -6.968 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.655 0.596 -7.614 1.00 0.00 C ATOM 1087 C GLU A 66 -10.286 -0.668 -6.858 1.00 0.00 C ATOM 1088 O GLU A 66 -10.790 -0.949 -5.773 1.00 0.00 O ATOM 1089 CB GLU A 66 -9.395 1.446 -7.737 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.446 2.465 -8.851 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.312 1.836 -10.220 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.166 1.674 -10.689 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.345 1.505 -10.833 1.00 0.00 O ATOM 0 H GLU A 66 -11.370 1.956 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.052 0.299 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.225 1.964 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.540 0.789 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.388 3.011 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.647 3.193 -8.710 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.375 -1.408 -7.466 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.686 -2.505 -6.817 1.00 0.00 C ATOM 1102 C LYS A 67 -7.204 -2.277 -7.036 1.00 0.00 C ATOM 1103 O LYS A 67 -6.767 -2.082 -8.166 1.00 0.00 O ATOM 1104 CB LYS A 67 -9.110 -3.862 -7.384 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.440 -5.040 -6.688 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.833 -6.365 -7.318 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.328 -6.611 -7.221 1.00 0.00 C ATOM 1108 NZ LYS A 67 -10.729 -7.864 -7.907 1.00 0.00 N ATOM 0 H LYS A 67 -9.091 -1.261 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.934 -2.528 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.192 -3.963 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.873 -3.894 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.357 -4.922 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.715 -5.043 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.530 -6.374 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.298 -7.176 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.620 -6.662 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.864 -5.769 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.757 -7.995 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.474 -7.806 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.238 -8.671 -7.471 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.437 -2.271 -5.971 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.071 -1.795 -6.048 1.00 0.00 C ATOM 1124 C CYS A 68 -4.114 -2.742 -5.337 1.00 0.00 C ATOM 1125 O CYS A 68 -4.507 -3.796 -4.836 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.002 -0.399 -5.428 1.00 0.00 C ATOM 1127 SG CYS A 68 -3.512 0.545 -5.870 1.00 0.00 S ATOM 0 H CYS A 68 -6.730 -2.587 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.767 -1.753 -7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.881 0.167 -5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.049 -0.494 -4.343 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.855 -2.353 -5.325 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.794 -3.105 -4.693 1.00 0.00 C ATOM 1134 C LYS A 69 -0.636 -2.159 -4.427 1.00 0.00 C ATOM 1135 O LYS A 69 0.221 -1.955 -5.286 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.345 -4.269 -5.584 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.204 -5.084 -5.005 1.00 0.00 C ATOM 1138 CD LYS A 69 0.422 -6.001 -6.045 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.579 -6.988 -6.618 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.072 -7.954 -7.543 1.00 0.00 N ATOM 0 H LYS A 69 -2.536 -1.489 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.151 -3.532 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.196 -4.927 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.041 -3.875 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.557 -4.412 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.571 -5.680 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.839 -5.400 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.250 -6.547 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.062 -7.531 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.362 -6.446 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.641 -8.613 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.511 -7.437 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.802 -8.488 -7.030 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.647 -1.545 -3.254 1.00 0.00 N ATOM 1155 CA PHE A 70 0.353 -0.553 -2.900 1.00 0.00 C ATOM 1156 C PHE A 70 1.746 -1.134 -2.999 1.00 0.00 C ATOM 1157 O PHE A 70 2.128 -2.013 -2.224 1.00 0.00 O ATOM 1158 CB PHE A 70 0.094 -0.001 -1.502 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.078 0.930 -1.464 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.337 0.465 -1.141 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.916 2.274 -1.764 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.418 1.321 -1.118 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -1.994 3.135 -1.741 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.247 2.658 -1.417 1.00 0.00 C ATOM 0 H PHE A 70 -1.342 -1.719 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 70 0.280 0.271 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.080 -0.828 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.983 0.523 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.477 -0.579 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.064 2.651 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.399 0.945 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.857 4.180 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.093 3.329 -1.397 1.00 0.00 H new ATOM 1174 N LYS A 71 2.491 -0.642 -3.972 1.00 0.00 N ATOM 1175 CA LYS A 71 3.813 -1.150 -4.241 1.00 0.00 C ATOM 1176 C LYS A 71 4.831 -0.302 -3.517 1.00 0.00 C ATOM 1177 O LYS A 71 5.484 0.573 -4.100 1.00 0.00 O ATOM 1178 CB LYS A 71 4.067 -1.185 -5.744 1.00 0.00 C ATOM 1179 CG LYS A 71 5.403 -1.788 -6.139 1.00 0.00 C ATOM 1180 CD LYS A 71 5.256 -2.472 -7.482 1.00 0.00 C ATOM 1181 CE LYS A 71 6.559 -3.027 -8.020 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.302 -4.035 -9.084 1.00 0.00 N ATOM 0 H LYS A 71 2.196 0.114 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 71 3.900 -2.173 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.270 -1.754 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.011 -0.169 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.166 -1.011 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.731 -2.504 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.534 -3.283 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.848 -1.761 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.168 -2.216 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.128 -3.483 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.535 -4.984 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.299 -4.004 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.892 -3.823 -9.913 1.00 0.00 H new ATOM 1196 N ILE A 72 4.926 -0.547 -2.228 1.00 0.00 N ATOM 1197 CA ILE A 72 5.804 0.211 -1.380 1.00 0.00 C ATOM 1198 C ILE A 72 7.215 -0.307 -1.521 1.00 0.00 C ATOM 1199 O ILE A 72 7.610 -1.279 -0.878 1.00 0.00 O ATOM 1200 CB ILE A 72 5.356 0.182 0.094 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.928 0.726 0.203 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.307 1.003 0.954 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.316 0.585 1.579 1.00 0.00 C ATOM 0 H ILE A 72 4.398 -1.274 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 72 5.766 1.252 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 72 5.375 -0.846 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.930 1.780 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.297 0.207 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.977 0.973 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.313 0.589 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.313 2.036 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.306 0.994 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.279 -0.469 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.922 1.128 2.304 1.00 0.00 H new ATOM 1215 N ARG A 73 7.938 0.314 -2.431 1.00 0.00 N ATOM 1216 CA ARG A 73 9.328 0.000 -2.655 1.00 0.00 C ATOM 1217 C ARG A 73 10.071 0.176 -1.347 1.00 0.00 C ATOM 1218 O ARG A 73 9.931 1.202 -0.692 1.00 0.00 O ATOM 1219 CB ARG A 73 9.891 0.932 -3.730 1.00 0.00 C ATOM 1220 CG ARG A 73 11.108 0.395 -4.465 1.00 0.00 C ATOM 1221 CD ARG A 73 11.385 1.213 -5.715 1.00 0.00 C ATOM 1222 NE ARG A 73 12.516 0.711 -6.493 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.881 1.219 -7.674 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.290 2.315 -8.143 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.860 0.652 -8.364 1.00 0.00 N ATOM 0 H ARG A 73 7.574 1.051 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 73 9.443 -1.028 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.107 1.140 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.155 1.882 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.977 0.421 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.944 -0.648 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.494 1.218 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.579 2.247 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 73 13.055 -0.068 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.556 2.770 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.571 2.700 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.334 -0.172 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.139 1.039 -9.265 1.00 0.00 H new ATOM 1239 N LYS A 74 10.805 -0.839 -0.941 1.00 0.00 N ATOM 1240 CA LYS A 74 11.566 -0.761 0.304 1.00 0.00 C ATOM 1241 C LYS A 74 12.629 0.329 0.202 1.00 0.00 C ATOM 1242 O LYS A 74 12.738 0.987 -0.834 1.00 0.00 O ATOM 1243 CB LYS A 74 12.210 -2.111 0.638 1.00 0.00 C ATOM 1244 CG LYS A 74 11.205 -3.237 0.824 1.00 0.00 C ATOM 1245 CD LYS A 74 11.875 -4.512 1.309 1.00 0.00 C ATOM 1246 CE LYS A 74 10.876 -5.646 1.457 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.512 -6.883 1.978 1.00 0.00 N ATOM 0 H LYS A 74 10.895 -1.722 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 74 10.879 -0.508 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.902 -2.381 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.799 -2.007 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.443 -2.931 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.695 -3.430 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.656 -4.803 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.361 -4.327 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.076 -5.339 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.417 -5.854 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.073 -7.713 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.529 -6.869 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.380 -6.934 3.008 1.00 0.00 H new ATOM 1261 N ASP A 75 13.400 0.535 1.268 1.00 0.00 N ATOM 1262 CA ASP A 75 14.442 1.557 1.252 1.00 0.00 C ATOM 1263 C ASP A 75 15.464 1.253 0.186 1.00 0.00 C ATOM 1264 O ASP A 75 16.392 0.468 0.383 1.00 0.00 O ATOM 1265 CB ASP A 75 15.144 1.699 2.598 1.00 0.00 C ATOM 1266 CG ASP A 75 16.463 2.466 2.494 1.00 0.00 C ATOM 1267 OD1 ASP A 75 16.439 3.665 2.150 1.00 0.00 O ATOM 1268 OD2 ASP A 75 17.535 1.879 2.783 1.00 0.00 O ATOM 0 H ASP A 75 13.324 0.015 2.142 1.00 0.00 H new ATOM 0 HA ASP A 75 13.946 2.503 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.483 2.213 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.335 0.708 3.010 1.00 0.00 H new ATOM 1273 N VAL A 76 15.250 1.840 -0.965 1.00 0.00 N ATOM 1274 CA VAL A 76 16.185 1.748 -2.046 1.00 0.00 C ATOM 1275 C VAL A 76 16.308 3.117 -2.708 1.00 0.00 C ATOM 1276 O VAL A 76 15.601 3.424 -3.672 1.00 0.00 O ATOM 1277 CB VAL A 76 15.791 0.660 -3.076 1.00 0.00 C ATOM 1278 CG1 VAL A 76 16.003 -0.730 -2.497 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.353 0.822 -3.539 1.00 0.00 C ATOM 0 H VAL A 76 14.420 2.395 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 76 17.152 1.445 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 76 16.439 0.783 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.720 -1.479 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.053 -0.858 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.388 -0.850 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.113 0.041 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.684 0.743 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.229 1.799 -4.007 1.00 0.00 H new ATOM 1289 N ASP A 77 17.167 3.955 -2.129 1.00 0.00 N ATOM 1290 CA ASP A 77 17.341 5.356 -2.544 1.00 0.00 C ATOM 1291 C ASP A 77 16.193 6.223 -2.026 1.00 0.00 C ATOM 1292 O ASP A 77 16.419 7.279 -1.434 1.00 0.00 O ATOM 1293 CB ASP A 77 17.455 5.490 -4.064 1.00 0.00 C ATOM 1294 CG ASP A 77 17.693 6.920 -4.503 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.862 7.360 -4.501 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.715 7.610 -4.856 1.00 0.00 O ATOM 0 H ASP A 77 17.769 3.683 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 77 18.276 5.706 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.272 4.863 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.542 5.118 -4.528 1.00 0.00 H new ATOM 1301 N VAL A 78 14.965 5.776 -2.247 1.00 0.00 N ATOM 1302 CA VAL A 78 13.794 6.480 -1.740 1.00 0.00 C ATOM 1303 C VAL A 78 13.317 5.877 -0.430 1.00 0.00 C ATOM 1304 O VAL A 78 13.508 4.693 -0.163 1.00 0.00 O ATOM 1305 CB VAL A 78 12.601 6.457 -2.721 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.869 7.300 -3.951 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.257 5.033 -3.109 1.00 0.00 C ATOM 0 H VAL A 78 14.753 4.929 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 78 14.120 7.511 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 78 11.744 6.894 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.006 7.258 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.047 8.333 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.747 6.916 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.414 5.038 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.118 4.569 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.991 4.467 -2.216 1.00 0.00 H new ATOM 1317 N PRO A 79 12.719 6.716 0.411 1.00 0.00 N ATOM 1318 CA PRO A 79 12.006 6.304 1.608 1.00 0.00 C ATOM 1319 C PRO A 79 10.512 6.170 1.333 1.00 0.00 C ATOM 1320 O PRO A 79 9.679 6.346 2.224 1.00 0.00 O ATOM 1321 CB PRO A 79 12.259 7.483 2.536 1.00 0.00 C ATOM 1322 CG PRO A 79 12.317 8.674 1.633 1.00 0.00 C ATOM 1323 CD PRO A 79 12.711 8.172 0.267 1.00 0.00 C ATOM 0 HA PRO A 79 12.327 5.339 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.463 7.584 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.191 7.359 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.351 9.177 1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.041 9.402 2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.002 8.493 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.690 8.549 -0.029 1.00 0.00 H new ATOM 1331 N LYS A 80 10.190 5.845 0.093 1.00 0.00 N ATOM 1332 CA LYS A 80 8.815 5.858 -0.377 1.00 0.00 C ATOM 1333 C LYS A 80 8.511 4.652 -1.242 1.00 0.00 C ATOM 1334 O LYS A 80 9.357 3.788 -1.457 1.00 0.00 O ATOM 1335 CB LYS A 80 8.529 7.119 -1.193 1.00 0.00 C ATOM 1336 CG LYS A 80 7.991 8.287 -0.390 1.00 0.00 C ATOM 1337 CD LYS A 80 7.549 9.412 -1.312 1.00 0.00 C ATOM 1338 CE LYS A 80 8.688 9.880 -2.206 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.227 10.848 -3.234 1.00 0.00 N ATOM 0 H LYS A 80 10.870 5.566 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 80 8.181 5.836 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.448 7.430 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.812 6.873 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.150 7.959 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.759 8.650 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.717 9.073 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.184 10.249 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.463 10.342 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.141 9.019 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.034 11.141 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.506 10.399 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.818 11.682 -2.767 1.00 0.00 H new ATOM 1353 N MET A 81 7.300 4.632 -1.763 1.00 0.00 N ATOM 1354 CA MET A 81 6.843 3.561 -2.620 1.00 0.00 C ATOM 1355 C MET A 81 7.089 3.923 -4.075 1.00 0.00 C ATOM 1356 O MET A 81 7.020 5.092 -4.455 1.00 0.00 O ATOM 1357 CB MET A 81 5.354 3.280 -2.388 1.00 0.00 C ATOM 1358 CG MET A 81 4.425 4.436 -2.706 1.00 0.00 C ATOM 1359 SD MET A 81 4.590 5.801 -1.544 1.00 0.00 S ATOM 1360 CE MET A 81 2.896 6.369 -1.476 1.00 0.00 C ATOM 0 H MET A 81 6.605 5.361 -1.602 1.00 0.00 H new ATOM 0 HA MET A 81 7.403 2.658 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.063 2.423 -2.995 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.212 2.996 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.631 4.796 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.394 4.081 -2.699 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.753 6.983 -0.587 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.675 6.960 -2.364 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.226 5.510 -1.435 1.00 0.00 H new ATOM 1370 N VAL A 82 7.394 2.922 -4.883 1.00 0.00 N ATOM 1371 CA VAL A 82 7.641 3.138 -6.298 1.00 0.00 C ATOM 1372 C VAL A 82 6.327 3.186 -7.061 1.00 0.00 C ATOM 1373 O VAL A 82 6.221 3.815 -8.114 1.00 0.00 O ATOM 1374 CB VAL A 82 8.535 2.030 -6.894 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.859 0.670 -6.799 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.908 2.345 -8.334 1.00 0.00 C ATOM 0 H VAL A 82 7.477 1.951 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 82 8.161 4.091 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 82 9.452 1.993 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.512 -0.091 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.662 0.434 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.918 0.692 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.538 1.548 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.002 2.424 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.451 3.289 -8.371 1.00 0.00 H new ATOM 1386 N GLY A 83 5.319 2.526 -6.516 1.00 0.00 N ATOM 1387 CA GLY A 83 4.067 2.430 -7.209 1.00 0.00 C ATOM 1388 C GLY A 83 2.907 2.138 -6.293 1.00 0.00 C ATOM 1389 O GLY A 83 3.034 2.136 -5.069 1.00 0.00 O ATOM 0 H GLY A 83 5.351 2.059 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.879 3.364 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.134 1.645 -7.962 1.00 0.00 H new ATOM 1393 N ARG A 84 1.785 1.868 -6.913 1.00 0.00 N ATOM 1394 CA ARG A 84 0.527 1.637 -6.235 1.00 0.00 C ATOM 1395 C ARG A 84 -0.379 0.913 -7.219 1.00 0.00 C ATOM 1396 O ARG A 84 -1.300 1.488 -7.782 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.074 2.978 -5.792 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.191 3.953 -6.946 1.00 0.00 C ATOM 1399 CD ARG A 84 -0.480 5.371 -6.508 1.00 0.00 C ATOM 1400 NE ARG A 84 -0.640 6.246 -7.668 1.00 0.00 N ATOM 1401 CZ ARG A 84 0.293 7.093 -8.104 1.00 0.00 C ATOM 1402 NH1 ARG A 84 1.433 7.228 -7.436 1.00 0.00 N ATOM 1403 NH2 ARG A 84 0.081 7.813 -9.200 1.00 0.00 N ATOM 0 H ARG A 84 1.716 1.800 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 84 0.655 1.032 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.060 2.809 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.548 3.414 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.736 3.939 -7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.984 3.619 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.386 5.393 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.333 5.736 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.523 6.206 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.595 6.684 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.146 7.876 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.797 7.719 -9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.796 8.460 -9.531 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.038 -0.339 -7.466 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.606 -1.128 -8.558 1.00 0.00 C ATOM 1419 C LYS A 85 -2.125 -1.283 -8.452 1.00 0.00 C ATOM 1420 O LYS A 85 -2.626 -2.298 -7.984 1.00 0.00 O ATOM 1421 CB LYS A 85 0.085 -2.497 -8.593 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.422 -3.445 -9.662 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.296 -2.843 -11.033 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.242 -3.920 -12.086 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.997 -4.733 -11.967 1.00 0.00 N ATOM 0 H LYS A 85 0.649 -0.848 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.426 -0.594 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.154 -2.344 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.036 -2.973 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.140 -4.378 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.465 -3.692 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.142 -2.183 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.605 -2.231 -11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.114 -4.567 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.287 -3.466 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.245 -5.126 -12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.775 -4.132 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.839 -5.510 -11.294 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.849 -0.259 -8.881 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.299 -0.295 -8.872 1.00 0.00 C ATOM 1441 C CYS A 86 -4.809 -0.799 -10.215 1.00 0.00 C ATOM 1442 O CYS A 86 -4.554 -1.945 -10.585 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.891 1.089 -8.584 1.00 0.00 C ATOM 1444 SG CYS A 86 -4.202 1.977 -7.137 1.00 0.00 S ATOM 0 H CYS A 86 -2.451 0.609 -9.240 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.615 -0.972 -8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.751 1.712 -9.467 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.966 0.979 -8.439 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.547 0.061 -10.930 1.00 0.00 N ATOM 1450 CA ARG A 87 -6.071 -0.247 -12.260 1.00 0.00 C ATOM 1451 C ARG A 87 -7.261 -1.195 -12.166 1.00 0.00 C ATOM 1452 O ARG A 87 -8.026 -1.335 -13.123 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.975 -0.800 -13.176 1.00 0.00 C ATOM 1454 CG ARG A 87 -4.032 0.272 -13.703 1.00 0.00 C ATOM 1455 CD ARG A 87 -3.009 -0.291 -14.678 1.00 0.00 C ATOM 1456 NE ARG A 87 -2.143 0.757 -15.222 1.00 0.00 N ATOM 1457 CZ ARG A 87 -1.647 0.757 -16.463 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -1.962 -0.203 -17.319 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.840 1.732 -16.858 1.00 0.00 N ATOM 0 H ARG A 87 -5.796 0.993 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.424 0.682 -12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.397 -1.546 -12.630 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.440 -1.311 -14.019 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.611 1.052 -14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.514 0.741 -12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.400 -1.040 -14.173 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.525 -0.797 -15.494 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.902 1.539 -14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.590 -0.954 -17.034 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.576 -0.191 -18.263 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.596 2.485 -16.214 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.463 1.729 -17.806 1.00 0.00 H new