USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 570 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 10 SER OG : rot -11:sc= -4.5! USER MOD Set 1.3: A 14 THR OG1 : rot -59:sc= -4.55! USER MOD Single : A 9 SER OG : rot 180:sc= -0.528 USER MOD Single : A 12 CYS SG : rot -134:sc= -8.74! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 100:sc= -6.89! USER MOD Single : A 16 CYS SG : rot -53:sc= -1.11! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -146:sc= -1.95! (180deg=-2.92!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.79! C(o=-2.8!,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -159:sc= -3.68! USER MOD Single : A 43 SER OG : rot 180:sc= -1.41 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -129:sc= -11.9! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.66) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.832 (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 9.674 -5.344 12.608 1.00 0.00 N ATOM 9 CA GLU A 2 8.920 -4.172 13.017 1.00 0.00 C ATOM 10 C GLU A 2 8.648 -3.268 11.813 1.00 0.00 C ATOM 11 O GLU A 2 7.750 -2.426 11.854 1.00 0.00 O ATOM 12 CB GLU A 2 9.649 -3.407 14.123 1.00 0.00 C ATOM 13 CG GLU A 2 8.795 -2.253 14.648 1.00 0.00 C ATOM 14 CD GLU A 2 7.627 -2.773 15.490 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.712 -2.787 16.726 1.00 0.00 O ATOM 16 OE2 GLU A 2 6.604 -3.173 14.813 1.00 0.00 O ATOM 0 HA GLU A 2 7.964 -4.504 13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.891 -4.086 14.941 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.593 -3.020 13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.411 -1.584 15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.413 -1.669 13.811 1.00 0.00 H new ATOM 24 N ALA A 3 9.439 -3.471 10.770 1.00 0.00 N ATOM 25 CA ALA A 3 9.296 -2.684 9.557 1.00 0.00 C ATOM 26 C ALA A 3 8.278 -3.359 8.635 1.00 0.00 C ATOM 27 O ALA A 3 7.392 -2.699 8.094 1.00 0.00 O ATOM 28 CB ALA A 3 10.664 -2.517 8.892 1.00 0.00 C ATOM 0 H ALA A 3 10.182 -4.170 10.740 1.00 0.00 H new ATOM 0 HA ALA A 3 8.922 -1.686 9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.557 -1.927 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.342 -2.008 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.069 -3.498 8.643 1.00 0.00 H new ATOM 34 N VAL A 4 8.439 -4.665 8.484 1.00 0.00 N ATOM 35 CA VAL A 4 7.545 -5.436 7.637 1.00 0.00 C ATOM 36 C VAL A 4 6.100 -5.005 7.901 1.00 0.00 C ATOM 37 O VAL A 4 5.250 -5.094 7.017 1.00 0.00 O ATOM 38 CB VAL A 4 7.772 -6.932 7.861 1.00 0.00 C ATOM 39 CG1 VAL A 4 6.615 -7.551 8.648 1.00 0.00 C ATOM 40 CG2 VAL A 4 7.982 -7.659 6.531 1.00 0.00 C ATOM 0 H VAL A 4 9.175 -5.209 8.934 1.00 0.00 H new ATOM 0 HA VAL A 4 7.755 -5.243 6.585 1.00 0.00 H new ATOM 0 HB VAL A 4 8.679 -7.048 8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.802 -8.615 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.532 -7.061 9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.686 -7.418 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.141 -8.721 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.101 -7.529 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.854 -7.245 6.024 1.00 0.00 H new ATOM 50 N ILE A 5 5.867 -4.547 9.122 1.00 0.00 N ATOM 51 CA ILE A 5 4.541 -4.103 9.515 1.00 0.00 C ATOM 52 C ILE A 5 4.410 -2.602 9.247 1.00 0.00 C ATOM 53 O ILE A 5 3.687 -2.188 8.342 1.00 0.00 O ATOM 54 CB ILE A 5 4.250 -4.496 10.964 1.00 0.00 C ATOM 55 CG1 ILE A 5 5.126 -5.672 11.399 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.761 -4.785 11.166 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.600 -5.401 11.090 1.00 0.00 C ATOM 0 H ILE A 5 6.575 -4.474 9.853 1.00 0.00 H new ATOM 0 HA ILE A 5 3.780 -4.603 8.915 1.00 0.00 H new ATOM 0 HB ILE A 5 4.503 -3.651 11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.001 -5.848 12.467 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.804 -6.579 10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.582 -5.062 12.205 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.181 -3.895 10.923 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.458 -5.605 10.514 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.201 -6.252 11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.725 -5.250 10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.925 -4.507 11.623 1.00 0.00 H new ATOM 69 N LYS A 6 5.124 -1.825 10.050 1.00 0.00 N ATOM 70 CA LYS A 6 5.098 -0.380 9.911 1.00 0.00 C ATOM 71 C LYS A 6 5.283 -0.010 8.439 1.00 0.00 C ATOM 72 O LYS A 6 4.895 1.077 8.015 1.00 0.00 O ATOM 73 CB LYS A 6 6.126 0.266 10.843 1.00 0.00 C ATOM 74 CG LYS A 6 7.522 0.245 10.218 1.00 0.00 C ATOM 75 CD LYS A 6 8.008 1.662 9.910 1.00 0.00 C ATOM 76 CE LYS A 6 8.025 1.921 8.403 1.00 0.00 C ATOM 77 NZ LYS A 6 8.197 3.364 8.126 1.00 0.00 N ATOM 0 H LYS A 6 5.724 -2.170 10.799 1.00 0.00 H new ATOM 0 HA LYS A 6 4.130 0.015 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.834 1.295 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.142 -0.264 11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.221 -0.243 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.505 -0.344 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.358 2.387 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.009 1.804 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.835 1.357 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.095 1.568 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.206 3.521 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.410 3.895 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.096 3.691 8.534 1.00 0.00 H new ATOM 90 N VAL A 7 5.878 -0.935 7.700 1.00 0.00 N ATOM 91 CA VAL A 7 6.120 -0.719 6.284 1.00 0.00 C ATOM 92 C VAL A 7 4.781 -0.640 5.548 1.00 0.00 C ATOM 93 O VAL A 7 4.372 0.434 5.110 1.00 0.00 O ATOM 94 CB VAL A 7 7.038 -1.813 5.737 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.378 -3.188 5.846 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.449 -1.515 4.293 1.00 0.00 C ATOM 0 H VAL A 7 6.199 -1.835 8.055 1.00 0.00 H new ATOM 0 HA VAL A 7 6.635 0.229 6.125 1.00 0.00 H new ATOM 0 HB VAL A 7 7.942 -1.826 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.052 -3.948 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.161 -3.405 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.450 -3.193 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.101 -2.309 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.559 -1.460 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.979 -0.563 4.255 1.00 0.00 H new ATOM 106 N ILE A 8 4.135 -1.791 5.435 1.00 0.00 N ATOM 107 CA ILE A 8 2.851 -1.865 4.760 1.00 0.00 C ATOM 108 C ILE A 8 1.971 -0.698 5.217 1.00 0.00 C ATOM 109 O ILE A 8 1.319 -0.053 4.398 1.00 0.00 O ATOM 110 CB ILE A 8 2.211 -3.238 4.976 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.277 -3.595 3.819 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.500 -3.305 6.329 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.966 -3.380 2.470 1.00 0.00 C ATOM 0 H ILE A 8 4.477 -2.680 5.800 1.00 0.00 H new ATOM 0 HA ILE A 8 2.981 -1.765 3.682 1.00 0.00 H new ATOM 0 HB ILE A 8 3.004 -3.986 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.962 -4.635 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.376 -2.984 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.054 -4.291 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.220 -3.126 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.719 -2.546 6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.279 -3.642 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.258 -2.334 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.853 -4.011 2.410 1.00 0.00 H new ATOM 125 N SER A 9 1.984 -0.465 6.521 1.00 0.00 N ATOM 126 CA SER A 9 1.195 0.612 7.095 1.00 0.00 C ATOM 127 C SER A 9 1.722 1.963 6.605 1.00 0.00 C ATOM 128 O SER A 9 1.018 2.690 5.906 1.00 0.00 O ATOM 129 CB SER A 9 1.218 0.557 8.623 1.00 0.00 C ATOM 130 OG SER A 9 1.693 1.772 9.196 1.00 0.00 O ATOM 0 H SER A 9 2.528 -1.003 7.196 1.00 0.00 H new ATOM 0 HA SER A 9 0.162 0.491 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.214 0.351 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.853 -0.268 8.946 1.00 0.00 H new ATOM 0 HG SER A 9 1.690 1.696 10.173 1.00 0.00 H new ATOM 136 N SER A 10 2.953 2.259 6.991 1.00 0.00 N ATOM 137 CA SER A 10 3.582 3.510 6.602 1.00 0.00 C ATOM 138 C SER A 10 3.833 3.520 5.093 1.00 0.00 C ATOM 139 O SER A 10 3.504 4.490 4.411 1.00 0.00 O ATOM 140 CB SER A 10 4.892 3.728 7.360 1.00 0.00 C ATOM 141 OG SER A 10 4.906 4.971 8.056 1.00 0.00 O ATOM 0 H SER A 10 3.534 1.653 7.571 1.00 0.00 H new ATOM 0 HA SER A 10 2.907 4.327 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.040 2.914 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.726 3.696 6.659 1.00 0.00 H new ATOM 0 HG SER A 10 4.141 5.514 7.772 1.00 0.00 H new ATOM 147 N ALA A 11 4.415 2.429 4.615 1.00 0.00 N ATOM 148 CA ALA A 11 4.715 2.301 3.199 1.00 0.00 C ATOM 149 C ALA A 11 3.458 2.616 2.385 1.00 0.00 C ATOM 150 O ALA A 11 3.547 2.986 1.216 1.00 0.00 O ATOM 151 CB ALA A 11 5.256 0.897 2.917 1.00 0.00 C ATOM 0 H ALA A 11 4.686 1.626 5.183 1.00 0.00 H new ATOM 0 HA ALA A 11 5.486 3.013 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.481 0.800 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.164 0.734 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.508 0.156 3.198 1.00 0.00 H new ATOM 157 N CYS A 12 2.315 2.457 3.036 1.00 0.00 N ATOM 158 CA CYS A 12 1.042 2.720 2.387 1.00 0.00 C ATOM 159 C CYS A 12 0.894 4.232 2.212 1.00 0.00 C ATOM 160 O CYS A 12 0.828 4.727 1.089 1.00 0.00 O ATOM 161 CB CYS A 12 -0.127 2.120 3.173 1.00 0.00 C ATOM 162 SG CYS A 12 -1.716 2.694 2.466 1.00 0.00 S ATOM 0 H CYS A 12 2.244 2.149 4.006 1.00 0.00 H new ATOM 0 HA CYS A 12 1.024 2.239 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.077 1.032 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.059 2.412 4.221 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.509 3.067 3.426 1.00 0.00 H new ATOM 168 N LYS A 13 0.848 4.925 3.342 1.00 0.00 N ATOM 169 CA LYS A 13 0.712 6.372 3.328 1.00 0.00 C ATOM 170 C LYS A 13 2.093 7.012 3.473 1.00 0.00 C ATOM 171 O LYS A 13 2.416 7.965 2.766 1.00 0.00 O ATOM 172 CB LYS A 13 -0.292 6.825 4.390 1.00 0.00 C ATOM 173 CG LYS A 13 -1.237 7.891 3.832 1.00 0.00 C ATOM 174 CD LYS A 13 -2.055 8.537 4.951 1.00 0.00 C ATOM 175 CE LYS A 13 -1.323 8.444 6.291 1.00 0.00 C ATOM 176 NZ LYS A 13 -2.099 9.120 7.355 1.00 0.00 N ATOM 0 H LYS A 13 0.903 4.511 4.273 1.00 0.00 H new ATOM 0 HA LYS A 13 0.305 6.708 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.869 5.969 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.241 7.223 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.661 8.655 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.907 7.441 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.246 9.582 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.025 8.045 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.168 7.398 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.337 8.901 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.587 9.047 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.226 10.122 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.030 8.666 7.447 1.00 0.00 H new ATOM 189 N THR A 14 2.870 6.463 4.393 1.00 0.00 N ATOM 190 CA THR A 14 4.210 6.970 4.641 1.00 0.00 C ATOM 191 C THR A 14 5.067 6.848 3.380 1.00 0.00 C ATOM 192 O THR A 14 5.964 7.660 3.153 1.00 0.00 O ATOM 193 CB THR A 14 4.786 6.217 5.842 1.00 0.00 C ATOM 194 OG1 THR A 14 3.703 6.155 6.765 1.00 0.00 O ATOM 195 CG2 THR A 14 5.859 7.022 6.578 1.00 0.00 C ATOM 0 H THR A 14 2.598 5.672 4.977 1.00 0.00 H new ATOM 0 HA THR A 14 4.192 8.033 4.883 1.00 0.00 H new ATOM 0 HB THR A 14 5.209 5.270 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.417 7.064 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.234 6.442 7.421 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.680 7.243 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.428 7.955 6.942 1.00 0.00 H new ATOM 203 N TYR A 15 4.761 5.828 2.590 1.00 0.00 N ATOM 204 CA TYR A 15 5.492 5.591 1.358 1.00 0.00 C ATOM 205 C TYR A 15 5.308 6.753 0.379 1.00 0.00 C ATOM 206 O TYR A 15 6.223 7.550 0.175 1.00 0.00 O ATOM 207 CB TYR A 15 4.890 4.324 0.747 1.00 0.00 C ATOM 208 CG TYR A 15 5.869 3.521 -0.110 1.00 0.00 C ATOM 209 CD1 TYR A 15 6.929 4.154 -0.726 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.691 2.160 -0.268 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.850 3.396 -1.533 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.613 1.403 -1.074 1.00 0.00 C ATOM 213 CZ TYR A 15 7.647 2.059 -1.667 1.00 0.00 C ATOM 214 OH TYR A 15 8.517 1.343 -2.429 1.00 0.00 O ATOM 0 H TYR A 15 4.017 5.157 2.780 1.00 0.00 H new ATOM 0 HA TYR A 15 6.559 5.492 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.519 3.687 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.031 4.600 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.068 5.218 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.861 1.664 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.684 3.879 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.487 0.338 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 15 9.160 0.886 -1.848 1.00 0.00 H new ATOM 224 N CYS A 16 4.118 6.812 -0.203 1.00 0.00 N ATOM 225 CA CYS A 16 3.803 7.862 -1.156 1.00 0.00 C ATOM 226 C CYS A 16 2.821 8.831 -0.495 1.00 0.00 C ATOM 227 O CYS A 16 1.822 9.218 -1.101 1.00 0.00 O ATOM 228 CB CYS A 16 3.250 7.292 -2.464 1.00 0.00 C ATOM 229 SG CYS A 16 2.328 8.587 -3.372 1.00 0.00 S ATOM 0 H CYS A 16 3.361 6.150 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 16 4.714 8.397 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.067 6.916 -3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.594 6.447 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 16 1.434 9.114 -2.588 1.00 0.00 H new ATOM 235 N GLY A 17 3.138 9.195 0.739 1.00 0.00 N ATOM 236 CA GLY A 17 2.294 10.111 1.489 1.00 0.00 C ATOM 237 C GLY A 17 3.028 10.645 2.721 1.00 0.00 C ATOM 238 O GLY A 17 2.733 11.741 3.196 1.00 0.00 O ATOM 0 H GLY A 17 3.967 8.873 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.995 10.942 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.381 9.601 1.797 1.00 0.00 H new ATOM 242 N LYS A 18 3.967 9.845 3.205 1.00 0.00 N ATOM 243 CA LYS A 18 4.743 10.224 4.373 1.00 0.00 C ATOM 244 C LYS A 18 3.824 10.280 5.594 1.00 0.00 C ATOM 245 O LYS A 18 3.943 9.460 6.504 1.00 0.00 O ATOM 246 CB LYS A 18 5.502 11.527 4.113 1.00 0.00 C ATOM 247 CG LYS A 18 6.800 11.577 4.923 1.00 0.00 C ATOM 248 CD LYS A 18 7.213 13.023 5.208 1.00 0.00 C ATOM 249 CE LYS A 18 6.517 13.555 6.462 1.00 0.00 C ATOM 250 NZ LYS A 18 6.516 15.034 6.465 1.00 0.00 N ATOM 0 H LYS A 18 4.208 8.936 2.809 1.00 0.00 H new ATOM 0 HA LYS A 18 5.506 9.475 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.729 11.614 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.872 12.377 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.667 11.041 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.594 11.069 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.294 13.078 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.962 13.652 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.493 13.185 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.025 13.184 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.040 15.379 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.496 15.382 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.011 15.383 5.625 1.00 0.00 H new ATOM 334 N LYS A 24 -6.447 7.025 1.898 1.00 0.00 N ATOM 335 CA LYS A 24 -5.680 5.806 2.086 1.00 0.00 C ATOM 336 C LYS A 24 -5.617 5.472 3.578 1.00 0.00 C ATOM 337 O LYS A 24 -6.491 4.780 4.100 1.00 0.00 O ATOM 338 CB LYS A 24 -4.303 5.932 1.427 1.00 0.00 C ATOM 339 CG LYS A 24 -4.438 6.284 -0.055 1.00 0.00 C ATOM 340 CD LYS A 24 -4.324 7.795 -0.271 1.00 0.00 C ATOM 341 CE LYS A 24 -5.482 8.317 -1.126 1.00 0.00 C ATOM 342 NZ LYS A 24 -5.717 9.753 -0.859 1.00 0.00 N ATOM 0 HA LYS A 24 -6.171 4.968 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.721 6.700 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.757 4.995 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.664 5.772 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.398 5.930 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.321 8.304 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.376 8.026 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.257 8.170 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.386 7.748 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.505 10.091 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.952 9.885 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.858 10.294 -1.087 1.00 0.00 H new ATOM 355 N GLU A 25 -4.577 5.979 4.223 1.00 0.00 N ATOM 356 CA GLU A 25 -4.390 5.743 5.645 1.00 0.00 C ATOM 357 C GLU A 25 -4.048 4.275 5.898 1.00 0.00 C ATOM 358 O GLU A 25 -4.036 3.467 4.971 1.00 0.00 O ATOM 359 CB GLU A 25 -5.630 6.164 6.438 1.00 0.00 C ATOM 360 CG GLU A 25 -5.273 6.462 7.895 1.00 0.00 C ATOM 361 CD GLU A 25 -6.143 7.590 8.453 1.00 0.00 C ATOM 362 OE1 GLU A 25 -7.356 7.622 8.197 1.00 0.00 O ATOM 363 OE2 GLU A 25 -5.516 8.454 9.176 1.00 0.00 O ATOM 0 H GLU A 25 -3.855 6.552 3.787 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.555 6.354 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.076 7.047 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.378 5.372 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.407 5.563 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.221 6.740 7.966 1.00 0.00 H new ATOM 371 N ILE A 26 -3.778 3.972 7.160 1.00 0.00 N ATOM 372 CA ILE A 26 -3.438 2.614 7.548 1.00 0.00 C ATOM 373 C ILE A 26 -4.431 1.641 6.910 1.00 0.00 C ATOM 374 O ILE A 26 -4.074 0.512 6.579 1.00 0.00 O ATOM 375 CB ILE A 26 -3.354 2.497 9.070 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.461 3.593 9.657 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.894 1.098 9.488 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.287 3.899 8.726 1.00 0.00 C ATOM 0 H ILE A 26 -3.788 4.645 7.927 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.448 2.349 7.176 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.354 2.643 9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.047 4.498 9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.085 3.279 10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.843 1.042 10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.603 0.357 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.908 0.898 9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.668 4.681 9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.689 2.998 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.666 4.236 7.761 1.00 0.00 H new ATOM 390 N GLY A 27 -5.659 2.115 6.757 1.00 0.00 N ATOM 391 CA GLY A 27 -6.707 1.301 6.164 1.00 0.00 C ATOM 392 C GLY A 27 -6.222 0.637 4.874 1.00 0.00 C ATOM 393 O GLY A 27 -6.242 -0.587 4.755 1.00 0.00 O ATOM 0 H GLY A 27 -5.952 3.052 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.024 0.537 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.578 1.921 5.953 1.00 0.00 H new ATOM 397 N ALA A 28 -5.796 1.474 3.939 1.00 0.00 N ATOM 398 CA ALA A 28 -5.306 0.984 2.662 1.00 0.00 C ATOM 399 C ALA A 28 -4.228 -0.074 2.906 1.00 0.00 C ATOM 400 O ALA A 28 -4.286 -1.165 2.341 1.00 0.00 O ATOM 401 CB ALA A 28 -4.793 2.158 1.827 1.00 0.00 C ATOM 0 H ALA A 28 -5.780 2.489 4.041 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.110 0.511 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.425 1.790 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.605 2.865 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.983 2.656 2.359 1.00 0.00 H new ATOM 407 N MET A 29 -3.272 0.286 3.749 1.00 0.00 N ATOM 408 CA MET A 29 -2.182 -0.618 4.073 1.00 0.00 C ATOM 409 C MET A 29 -2.689 -2.054 4.229 1.00 0.00 C ATOM 410 O MET A 29 -2.072 -2.991 3.724 1.00 0.00 O ATOM 411 CB MET A 29 -1.517 -0.168 5.376 1.00 0.00 C ATOM 412 CG MET A 29 -1.199 -1.368 6.272 1.00 0.00 C ATOM 413 SD MET A 29 -2.518 -1.620 7.447 1.00 0.00 S ATOM 414 CE MET A 29 -1.572 -2.147 8.866 1.00 0.00 C ATOM 0 H MET A 29 -3.229 1.191 4.217 1.00 0.00 H new ATOM 0 HA MET A 29 -1.459 -0.594 3.257 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.600 0.376 5.151 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.175 0.521 5.905 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.068 -2.262 5.663 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.259 -1.200 6.798 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.146 -2.879 9.435 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.637 -2.598 8.533 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.354 -1.286 9.498 1.00 0.00 H new ATOM 424 N LEU A 30 -3.807 -2.181 4.928 1.00 0.00 N ATOM 425 CA LEU A 30 -4.403 -3.486 5.155 1.00 0.00 C ATOM 426 C LEU A 30 -5.464 -3.751 4.085 1.00 0.00 C ATOM 427 O LEU A 30 -5.312 -4.656 3.267 1.00 0.00 O ATOM 428 CB LEU A 30 -4.936 -3.591 6.585 1.00 0.00 C ATOM 429 CG LEU A 30 -4.285 -4.659 7.467 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.770 -4.694 7.261 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.659 -4.460 8.937 1.00 0.00 C ATOM 0 H LEU A 30 -4.316 -1.401 5.345 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.650 -4.269 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.812 -2.623 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.007 -3.789 6.539 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.673 -5.632 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.334 -5.462 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.550 -4.922 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.345 -3.724 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.183 -5.232 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.320 -3.479 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.741 -4.527 9.049 1.00 0.00 H new ATOM 443 N SER A 31 -6.513 -2.944 4.124 1.00 0.00 N ATOM 444 CA SER A 31 -7.599 -3.080 3.168 1.00 0.00 C ATOM 445 C SER A 31 -7.043 -3.084 1.742 1.00 0.00 C ATOM 446 O SER A 31 -7.569 -3.771 0.868 1.00 0.00 O ATOM 447 CB SER A 31 -8.624 -1.956 3.334 1.00 0.00 C ATOM 448 OG SER A 31 -9.127 -1.885 4.666 1.00 0.00 O ATOM 0 H SER A 31 -6.635 -2.193 4.803 1.00 0.00 H new ATOM 0 HA SER A 31 -8.105 -4.027 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.164 -1.004 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.451 -2.114 2.642 1.00 0.00 H new ATOM 0 HG SER A 31 -9.777 -1.154 4.732 1.00 0.00 H new ATOM 454 N LEU A 32 -5.984 -2.309 1.552 1.00 0.00 N ATOM 455 CA LEU A 32 -5.351 -2.215 0.248 1.00 0.00 C ATOM 456 C LEU A 32 -4.622 -3.525 -0.056 1.00 0.00 C ATOM 457 O LEU A 32 -5.006 -4.256 -0.968 1.00 0.00 O ATOM 458 CB LEU A 32 -4.450 -0.980 0.177 1.00 0.00 C ATOM 459 CG LEU A 32 -4.264 -0.363 -1.211 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.886 -1.250 -2.292 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.811 1.065 -1.255 1.00 0.00 C ATOM 0 H LEU A 32 -5.549 -1.741 2.279 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.102 -2.079 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.860 -0.218 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.468 -1.248 0.568 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.196 -0.303 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.740 -0.789 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.408 -2.230 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.953 -1.364 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.666 1.480 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.875 1.055 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.283 1.680 -0.526 1.00 0.00 H new ATOM 473 N LEU A 33 -3.584 -3.783 0.726 1.00 0.00 N ATOM 474 CA LEU A 33 -2.798 -4.993 0.551 1.00 0.00 C ATOM 475 C LEU A 33 -3.615 -6.199 1.019 1.00 0.00 C ATOM 476 O LEU A 33 -3.688 -7.210 0.324 1.00 0.00 O ATOM 477 CB LEU A 33 -1.444 -4.858 1.251 1.00 0.00 C ATOM 478 CG LEU A 33 -0.452 -3.884 0.612 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.411 -4.589 -0.437 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.175 -2.664 0.035 1.00 0.00 C ATOM 0 H LEU A 33 -3.269 -3.175 1.482 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.571 -5.151 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.619 -4.544 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.979 -5.843 1.293 1.00 0.00 H new ATOM 0 HG LEU A 33 0.220 -3.521 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.107 -3.874 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.970 -5.397 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.229 -4.999 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.447 -1.988 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.885 -2.988 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.708 -2.146 0.832 1.00 0.00 H new ATOM 492 N GLN A 34 -4.207 -6.051 2.195 1.00 0.00 N ATOM 493 CA GLN A 34 -5.016 -7.115 2.764 1.00 0.00 C ATOM 494 C GLN A 34 -6.300 -7.296 1.953 1.00 0.00 C ATOM 495 O GLN A 34 -7.129 -8.147 2.278 1.00 0.00 O ATOM 496 CB GLN A 34 -5.330 -6.839 4.236 1.00 0.00 C ATOM 497 CG GLN A 34 -5.332 -8.134 5.050 1.00 0.00 C ATOM 498 CD GLN A 34 -5.086 -7.852 6.533 1.00 0.00 C ATOM 499 OE1 GLN A 34 -6.002 -7.660 7.314 1.00 0.00 O ATOM 500 NE2 GLN A 34 -3.800 -7.835 6.874 1.00 0.00 N ATOM 0 H GLN A 34 -4.142 -5.210 2.769 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.446 -8.043 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.592 -6.149 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.302 -6.352 4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.288 -8.643 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.562 -8.806 4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.083 -8.004 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.531 -7.653 7.841 1.00 0.00 H new ATOM 509 N LYS A 35 -6.428 -6.484 0.915 1.00 0.00 N ATOM 510 CA LYS A 35 -7.598 -6.544 0.056 1.00 0.00 C ATOM 511 C LYS A 35 -7.162 -6.398 -1.403 1.00 0.00 C ATOM 512 O LYS A 35 -7.926 -5.919 -2.239 1.00 0.00 O ATOM 513 CB LYS A 35 -8.636 -5.508 0.494 1.00 0.00 C ATOM 514 CG LYS A 35 -10.037 -6.123 0.541 1.00 0.00 C ATOM 515 CD LYS A 35 -10.945 -5.346 1.494 1.00 0.00 C ATOM 516 CE LYS A 35 -11.478 -6.252 2.606 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.725 -5.695 3.175 1.00 0.00 N ATOM 0 H LYS A 35 -5.740 -5.780 0.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.089 -7.513 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.373 -5.117 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.628 -4.665 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.471 -6.125 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.971 -7.162 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.392 -4.515 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.779 -4.917 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.666 -7.250 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.728 -6.355 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.073 -6.322 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.535 -4.752 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.444 -5.619 2.428 1.00 0.00 H new ATOM 530 N GLU A 36 -5.934 -6.823 -1.666 1.00 0.00 N ATOM 531 CA GLU A 36 -5.387 -6.746 -3.010 1.00 0.00 C ATOM 532 C GLU A 36 -4.534 -7.981 -3.306 1.00 0.00 C ATOM 533 O GLU A 36 -3.873 -8.048 -4.342 1.00 0.00 O ATOM 534 CB GLU A 36 -4.580 -5.461 -3.200 1.00 0.00 C ATOM 535 CG GLU A 36 -5.500 -4.267 -3.463 1.00 0.00 C ATOM 536 CD GLU A 36 -6.678 -4.670 -4.352 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.479 -5.316 -5.391 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.836 -4.290 -3.929 1.00 0.00 O ATOM 0 H GLU A 36 -5.303 -7.222 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.215 -6.723 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.978 -5.271 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.889 -5.582 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.871 -3.874 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.936 -3.466 -3.941 1.00 0.00 H new ATOM 546 N GLY A 37 -4.573 -8.925 -2.378 1.00 0.00 N ATOM 547 CA GLY A 37 -3.811 -10.153 -2.527 1.00 0.00 C ATOM 548 C GLY A 37 -2.535 -10.113 -1.684 1.00 0.00 C ATOM 549 O GLY A 37 -1.508 -10.661 -2.078 1.00 0.00 O ATOM 0 H GLY A 37 -5.121 -8.864 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.423 -11.003 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.554 -10.300 -3.576 1.00 0.00 H new ATOM 553 N LEU A 38 -2.643 -9.458 -0.536 1.00 0.00 N ATOM 554 CA LEU A 38 -1.511 -9.339 0.367 1.00 0.00 C ATOM 555 C LEU A 38 -1.964 -9.668 1.791 1.00 0.00 C ATOM 556 O LEU A 38 -1.688 -8.915 2.724 1.00 0.00 O ATOM 557 CB LEU A 38 -0.861 -7.961 0.231 1.00 0.00 C ATOM 558 CG LEU A 38 -0.376 -7.583 -1.170 1.00 0.00 C ATOM 559 CD1 LEU A 38 0.319 -8.766 -1.846 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.525 -7.031 -2.017 1.00 0.00 C ATOM 0 H LEU A 38 -3.497 -9.005 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.736 -10.059 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.578 -7.209 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.012 -7.913 0.913 1.00 0.00 H new ATOM 0 HG LEU A 38 0.363 -6.788 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.654 -8.471 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.178 -9.073 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.380 -9.598 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.154 -6.770 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.305 -7.787 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.936 -6.142 -1.538 1.00 0.00 H new ATOM 572 N LEU A 39 -2.651 -10.794 1.914 1.00 0.00 N ATOM 573 CA LEU A 39 -3.145 -11.233 3.208 1.00 0.00 C ATOM 574 C LEU A 39 -2.156 -12.231 3.815 1.00 0.00 C ATOM 575 O LEU A 39 -2.521 -13.021 4.684 1.00 0.00 O ATOM 576 CB LEU A 39 -4.569 -11.777 3.082 1.00 0.00 C ATOM 577 CG LEU A 39 -5.618 -11.122 3.984 1.00 0.00 C ATOM 578 CD1 LEU A 39 -6.986 -11.788 3.806 1.00 0.00 C ATOM 579 CD2 LEU A 39 -5.166 -11.127 5.446 1.00 0.00 C ATOM 0 H LEU A 39 -2.877 -11.416 1.138 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.211 -10.390 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.889 -11.666 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.549 -12.845 3.297 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.724 -10.080 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.714 -11.304 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.306 -11.690 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.913 -12.844 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.930 -10.656 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.014 -12.155 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.231 -10.574 5.540 1.00 0.00 H new ATOM 591 N MET A 40 -0.925 -12.162 3.332 1.00 0.00 N ATOM 592 CA MET A 40 0.120 -13.050 3.815 1.00 0.00 C ATOM 593 C MET A 40 0.871 -12.424 4.993 1.00 0.00 C ATOM 594 O MET A 40 1.918 -12.922 5.400 1.00 0.00 O ATOM 595 CB MET A 40 1.103 -13.348 2.682 1.00 0.00 C ATOM 596 CG MET A 40 1.203 -14.852 2.423 1.00 0.00 C ATOM 597 SD MET A 40 2.436 -15.176 1.173 1.00 0.00 S ATOM 598 CE MET A 40 3.474 -16.331 2.052 1.00 0.00 C ATOM 0 H MET A 40 -0.627 -11.505 2.611 1.00 0.00 H new ATOM 0 HA MET A 40 -0.345 -13.975 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.781 -12.840 1.773 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.087 -12.953 2.936 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.463 -15.372 3.345 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.236 -15.239 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.300 -16.638 1.411 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.868 -15.855 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.888 -17.206 2.333 1.00 0.00 H new ATOM 608 N SER A 41 0.305 -11.340 5.504 1.00 0.00 N ATOM 609 CA SER A 41 0.909 -10.640 6.626 1.00 0.00 C ATOM 610 C SER A 41 1.776 -9.487 6.117 1.00 0.00 C ATOM 611 O SER A 41 1.918 -9.298 4.910 1.00 0.00 O ATOM 612 CB SER A 41 1.744 -11.593 7.484 1.00 0.00 C ATOM 613 OG SER A 41 1.513 -11.396 8.876 1.00 0.00 O ATOM 0 H SER A 41 -0.564 -10.930 5.162 1.00 0.00 H new ATOM 0 HA SER A 41 0.110 -10.238 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.506 -12.623 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.802 -11.444 7.267 1.00 0.00 H new ATOM 0 HG SER A 41 2.267 -11.757 9.387 1.00 0.00 H new ATOM 619 N PRO A 42 2.348 -8.726 7.089 1.00 0.00 N ATOM 620 CA PRO A 42 3.197 -7.596 6.753 1.00 0.00 C ATOM 621 C PRO A 42 4.569 -8.066 6.266 1.00 0.00 C ATOM 622 O PRO A 42 5.523 -7.291 6.241 1.00 0.00 O ATOM 623 CB PRO A 42 3.270 -6.766 8.023 1.00 0.00 C ATOM 624 CG PRO A 42 2.847 -7.694 9.151 1.00 0.00 C ATOM 625 CD PRO A 42 2.201 -8.921 8.529 1.00 0.00 C ATOM 0 HA PRO A 42 2.800 -7.003 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.279 -6.388 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.611 -5.900 7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.709 -7.981 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.147 -7.190 9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.693 -9.837 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.152 -9.003 8.813 1.00 0.00 H new ATOM 633 N SER A 43 4.625 -9.337 5.890 1.00 0.00 N ATOM 634 CA SER A 43 5.862 -9.919 5.404 1.00 0.00 C ATOM 635 C SER A 43 6.234 -9.313 4.050 1.00 0.00 C ATOM 636 O SER A 43 7.399 -9.321 3.660 1.00 0.00 O ATOM 637 CB SER A 43 5.748 -11.441 5.290 1.00 0.00 C ATOM 638 OG SER A 43 6.774 -11.995 4.470 1.00 0.00 O ATOM 0 H SER A 43 3.832 -9.978 5.913 1.00 0.00 H new ATOM 0 HA SER A 43 6.649 -9.692 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.801 -11.884 6.285 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.774 -11.701 4.876 1.00 0.00 H new ATOM 0 HG SER A 43 6.667 -12.968 4.424 1.00 0.00 H new ATOM 644 N ASP A 44 5.218 -8.799 3.370 1.00 0.00 N ATOM 645 CA ASP A 44 5.421 -8.189 2.068 1.00 0.00 C ATOM 646 C ASP A 44 6.752 -7.433 2.066 1.00 0.00 C ATOM 647 O ASP A 44 7.416 -7.340 1.035 1.00 0.00 O ATOM 648 CB ASP A 44 4.309 -7.188 1.748 1.00 0.00 C ATOM 649 CG ASP A 44 4.457 -6.461 0.410 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.708 -6.720 -0.544 1.00 0.00 O ATOM 651 OD2 ASP A 44 5.403 -5.586 0.367 1.00 0.00 O ATOM 0 H ASP A 44 4.252 -8.793 3.698 1.00 0.00 H new ATOM 0 HA ASP A 44 5.418 -8.982 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.354 -7.714 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.269 -6.446 2.545 1.00 0.00 H new ATOM 657 N LEU A 45 7.101 -6.912 3.233 1.00 0.00 N ATOM 658 CA LEU A 45 8.340 -6.167 3.379 1.00 0.00 C ATOM 659 C LEU A 45 9.513 -7.148 3.461 1.00 0.00 C ATOM 660 O LEU A 45 10.604 -6.858 2.972 1.00 0.00 O ATOM 661 CB LEU A 45 8.253 -5.211 4.569 1.00 0.00 C ATOM 662 CG LEU A 45 9.587 -4.782 5.183 1.00 0.00 C ATOM 663 CD1 LEU A 45 9.451 -3.439 5.906 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.147 -5.873 6.099 1.00 0.00 C ATOM 0 H LEU A 45 6.548 -6.991 4.086 1.00 0.00 H new ATOM 0 HA LEU A 45 8.511 -5.537 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.717 -4.316 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.653 -5.684 5.347 1.00 0.00 H new ATOM 0 HG LEU A 45 10.305 -4.642 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.413 -3.157 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.131 -2.675 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.712 -3.528 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.095 -5.542 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.440 -6.070 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.305 -6.785 5.524 1.00 0.00 H new ATOM 676 N TYR A 46 9.247 -8.287 4.083 1.00 0.00 N ATOM 677 CA TYR A 46 10.267 -9.311 4.237 1.00 0.00 C ATOM 678 C TYR A 46 10.857 -9.703 2.880 1.00 0.00 C ATOM 679 O TYR A 46 11.884 -10.379 2.818 1.00 0.00 O ATOM 680 CB TYR A 46 9.557 -10.525 4.840 1.00 0.00 C ATOM 681 CG TYR A 46 9.235 -10.379 6.330 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.909 -9.448 7.093 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.271 -11.180 6.908 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.605 -9.310 8.494 1.00 0.00 C ATOM 685 CE2 TYR A 46 7.967 -11.043 8.309 1.00 0.00 C ATOM 686 CZ TYR A 46 8.650 -10.116 9.032 1.00 0.00 C ATOM 687 OH TYR A 46 8.363 -9.986 10.357 1.00 0.00 O ATOM 0 H TYR A 46 8.340 -8.524 4.486 1.00 0.00 H new ATOM 0 HA TYR A 46 11.083 -8.950 4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.630 -10.700 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.182 -11.407 4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.664 -8.823 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.745 -11.909 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.123 -8.584 9.103 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.214 -11.662 8.774 1.00 0.00 H new ATOM 0 HH TYR A 46 7.661 -10.624 10.604 1.00 0.00 H new ATOM 697 N SER A 47 10.185 -9.263 1.827 1.00 0.00 N ATOM 698 CA SER A 47 10.628 -9.561 0.477 1.00 0.00 C ATOM 699 C SER A 47 10.568 -8.296 -0.383 1.00 0.00 C ATOM 700 O SER A 47 9.542 -7.621 -0.429 1.00 0.00 O ATOM 701 CB SER A 47 9.783 -10.670 -0.151 1.00 0.00 C ATOM 702 OG SER A 47 10.337 -11.134 -1.379 1.00 0.00 O ATOM 0 H SER A 47 9.335 -8.701 1.882 1.00 0.00 H new ATOM 0 HA SER A 47 11.658 -9.913 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.701 -11.503 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.773 -10.301 -0.326 1.00 0.00 H new ATOM 0 HG SER A 47 9.769 -11.843 -1.747 1.00 0.00 H new ATOM 708 N PRO A 48 11.710 -8.007 -1.063 1.00 0.00 N ATOM 709 CA PRO A 48 11.796 -6.838 -1.920 1.00 0.00 C ATOM 710 C PRO A 48 11.033 -7.057 -3.227 1.00 0.00 C ATOM 711 O PRO A 48 11.092 -8.140 -3.809 1.00 0.00 O ATOM 712 CB PRO A 48 13.285 -6.613 -2.131 1.00 0.00 C ATOM 713 CG PRO A 48 13.959 -7.927 -1.773 1.00 0.00 C ATOM 714 CD PRO A 48 12.945 -8.785 -1.034 1.00 0.00 C ATOM 0 HA PRO A 48 11.333 -5.957 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.496 -6.335 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.651 -5.802 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.306 -8.436 -2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.835 -7.749 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.815 -9.752 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.264 -8.983 -0.011 1.00 0.00 H new ATOM 722 N GLY A 49 10.335 -6.015 -3.651 1.00 0.00 N ATOM 723 CA GLY A 49 9.561 -6.080 -4.879 1.00 0.00 C ATOM 724 C GLY A 49 8.297 -6.920 -4.687 1.00 0.00 C ATOM 725 O GLY A 49 8.093 -7.911 -5.389 1.00 0.00 O ATOM 0 H GLY A 49 10.289 -5.119 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.288 -5.073 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.170 -6.509 -5.675 1.00 0.00 H new ATOM 729 N SER A 50 7.483 -6.495 -3.733 1.00 0.00 N ATOM 730 CA SER A 50 6.244 -7.196 -3.439 1.00 0.00 C ATOM 731 C SER A 50 5.060 -6.232 -3.537 1.00 0.00 C ATOM 732 O SER A 50 3.962 -6.543 -3.082 1.00 0.00 O ATOM 733 CB SER A 50 6.290 -7.839 -2.051 1.00 0.00 C ATOM 734 OG SER A 50 6.221 -9.261 -2.119 1.00 0.00 O ATOM 0 H SER A 50 7.657 -5.674 -3.153 1.00 0.00 H new ATOM 0 HA SER A 50 6.119 -7.991 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.210 -7.544 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.461 -7.464 -1.450 1.00 0.00 H new ATOM 0 HG SER A 50 6.255 -9.634 -1.213 1.00 0.00 H new ATOM 740 N TRP A 51 5.326 -5.081 -4.138 1.00 0.00 N ATOM 741 CA TRP A 51 4.296 -4.068 -4.302 1.00 0.00 C ATOM 742 C TRP A 51 3.719 -4.207 -5.711 1.00 0.00 C ATOM 743 O TRP A 51 2.813 -3.465 -6.091 1.00 0.00 O ATOM 744 CB TRP A 51 4.850 -2.671 -4.018 1.00 0.00 C ATOM 745 CG TRP A 51 4.874 -2.300 -2.532 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.733 -2.717 -1.593 1.00 0.00 C ATOM 747 CD2 TRP A 51 3.960 -1.416 -1.852 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.440 -2.169 -0.361 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.327 -1.353 -0.524 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.857 -0.695 -2.344 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.645 -0.579 0.424 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.187 0.073 -1.384 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.544 0.149 -0.043 1.00 0.00 C ATOM 0 H TRP A 51 6.238 -4.828 -4.517 1.00 0.00 H new ATOM 0 HA TRP A 51 3.493 -4.214 -3.580 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.863 -2.606 -4.415 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.249 -1.937 -4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.552 -3.397 -1.777 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.947 -2.333 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.551 -0.731 -3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.952 -0.546 1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.332 0.647 -1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.975 0.767 0.636 1.00 0.00 H new ATOM 764 N ASP A 52 4.264 -5.162 -6.450 1.00 0.00 N ATOM 765 CA ASP A 52 3.814 -5.408 -7.808 1.00 0.00 C ATOM 766 C ASP A 52 2.517 -6.217 -7.774 1.00 0.00 C ATOM 767 O ASP A 52 1.767 -6.237 -8.748 1.00 0.00 O ATOM 768 CB ASP A 52 4.852 -6.210 -8.595 1.00 0.00 C ATOM 769 CG ASP A 52 5.177 -5.659 -9.986 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.155 -6.394 -10.985 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.464 -4.403 -10.020 1.00 0.00 O ATOM 0 H ASP A 52 5.015 -5.775 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 52 3.661 -4.443 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.773 -6.253 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.494 -7.234 -8.701 1.00 0.00 H new ATOM 777 N PRO A 53 2.286 -6.883 -6.611 1.00 0.00 N ATOM 778 CA PRO A 53 1.092 -7.694 -6.436 1.00 0.00 C ATOM 779 C PRO A 53 -0.140 -6.814 -6.216 1.00 0.00 C ATOM 780 O PRO A 53 -1.210 -7.094 -6.753 1.00 0.00 O ATOM 781 CB PRO A 53 1.398 -8.594 -5.250 1.00 0.00 C ATOM 782 CG PRO A 53 2.559 -7.939 -4.518 1.00 0.00 C ATOM 783 CD PRO A 53 3.154 -6.883 -5.435 1.00 0.00 C ATOM 0 HA PRO A 53 0.853 -8.288 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.530 -8.690 -4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.661 -9.599 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.217 -7.487 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.311 -8.682 -4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.170 -5.905 -4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.183 -7.124 -5.702 1.00 0.00 H new ATOM 791 N ILE A 54 0.053 -5.768 -5.427 1.00 0.00 N ATOM 792 CA ILE A 54 -1.029 -4.845 -5.129 1.00 0.00 C ATOM 793 C ILE A 54 -1.328 -4.000 -6.369 1.00 0.00 C ATOM 794 O ILE A 54 -2.398 -3.403 -6.475 1.00 0.00 O ATOM 795 CB ILE A 54 -0.702 -4.017 -3.886 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.951 -3.791 -3.032 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.022 -2.699 -4.266 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.163 -2.301 -2.754 1.00 0.00 C ATOM 0 H ILE A 54 0.943 -5.539 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.940 -5.393 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 54 0.006 -4.581 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.824 -4.197 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.854 -4.330 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.199 -2.130 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.905 -2.909 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.686 -2.119 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.057 -2.168 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.299 -1.904 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.284 -1.768 -3.697 1.00 0.00 H new ATOM 810 N THR A 55 -0.364 -3.978 -7.277 1.00 0.00 N ATOM 811 CA THR A 55 -0.511 -3.216 -8.505 1.00 0.00 C ATOM 812 C THR A 55 -1.598 -3.832 -9.388 1.00 0.00 C ATOM 813 O THR A 55 -2.594 -3.181 -9.699 1.00 0.00 O ATOM 814 CB THR A 55 0.858 -3.149 -9.187 1.00 0.00 C ATOM 815 OG1 THR A 55 1.310 -1.822 -8.925 1.00 0.00 O ATOM 816 CG2 THR A 55 0.758 -3.213 -10.712 1.00 0.00 C ATOM 0 H THR A 55 0.522 -4.476 -7.187 1.00 0.00 H new ATOM 0 HA THR A 55 -0.840 -2.197 -8.301 1.00 0.00 H new ATOM 0 HB THR A 55 1.482 -3.969 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.592 -1.401 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.757 -3.162 -11.145 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.283 -4.149 -11.007 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.163 -2.374 -11.073 1.00 0.00 H new ATOM 824 N ALA A 56 -1.370 -5.081 -9.769 1.00 0.00 N ATOM 825 CA ALA A 56 -2.318 -5.793 -10.608 1.00 0.00 C ATOM 826 C ALA A 56 -3.531 -6.202 -9.770 1.00 0.00 C ATOM 827 O ALA A 56 -4.559 -6.602 -10.313 1.00 0.00 O ATOM 828 CB ALA A 56 -1.625 -6.993 -11.257 1.00 0.00 C ATOM 0 H ALA A 56 -0.542 -5.618 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.676 -5.150 -11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.336 -7.527 -11.887 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.791 -6.646 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.253 -7.662 -10.481 1.00 0.00 H new ATOM 834 N ALA A 57 -3.370 -6.088 -8.460 1.00 0.00 N ATOM 835 CA ALA A 57 -4.438 -6.441 -7.541 1.00 0.00 C ATOM 836 C ALA A 57 -5.675 -5.597 -7.856 1.00 0.00 C ATOM 837 O ALA A 57 -6.664 -6.110 -8.376 1.00 0.00 O ATOM 838 CB ALA A 57 -3.956 -6.254 -6.102 1.00 0.00 C ATOM 0 H ALA A 57 -2.515 -5.756 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.715 -7.489 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.758 -6.519 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.094 -6.896 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.672 -5.213 -5.946 1.00 0.00 H new ATOM 844 N LEU A 58 -5.578 -4.318 -7.527 1.00 0.00 N ATOM 845 CA LEU A 58 -6.677 -3.399 -7.768 1.00 0.00 C ATOM 846 C LEU A 58 -6.994 -3.369 -9.264 1.00 0.00 C ATOM 847 O LEU A 58 -8.159 -3.366 -9.656 1.00 0.00 O ATOM 848 CB LEU A 58 -6.364 -2.021 -7.179 1.00 0.00 C ATOM 849 CG LEU A 58 -5.870 -2.008 -5.731 1.00 0.00 C ATOM 850 CD1 LEU A 58 -4.395 -1.604 -5.659 1.00 0.00 C ATOM 851 CD2 LEU A 58 -6.752 -1.112 -4.860 1.00 0.00 C ATOM 0 H LEU A 58 -4.756 -3.896 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.577 -3.742 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.609 -1.543 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.263 -1.408 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.947 -3.020 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.069 -1.603 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.795 -2.315 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.270 -0.606 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.380 -1.120 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.729 -0.093 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.777 -1.483 -4.876 1.00 0.00 H new ATOM 863 N SER A 59 -5.934 -3.350 -10.061 1.00 0.00 N ATOM 864 CA SER A 59 -6.084 -3.321 -11.506 1.00 0.00 C ATOM 865 C SER A 59 -6.940 -4.502 -11.966 1.00 0.00 C ATOM 866 O SER A 59 -7.703 -4.385 -12.925 1.00 0.00 O ATOM 867 CB SER A 59 -4.722 -3.349 -12.201 1.00 0.00 C ATOM 868 OG SER A 59 -4.732 -2.618 -13.424 1.00 0.00 O ATOM 0 H SER A 59 -4.968 -3.354 -9.733 1.00 0.00 H new ATOM 0 HA SER A 59 -6.582 -2.391 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.967 -2.932 -11.535 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.437 -4.382 -12.399 1.00 0.00 H new ATOM 0 HG SER A 59 -3.844 -2.658 -13.836 1.00 0.00 H new ATOM 874 N GLN A 60 -6.785 -5.613 -11.262 1.00 0.00 N ATOM 875 CA GLN A 60 -7.535 -6.815 -11.587 1.00 0.00 C ATOM 876 C GLN A 60 -9.017 -6.623 -11.254 1.00 0.00 C ATOM 877 O GLN A 60 -9.884 -7.172 -11.932 1.00 0.00 O ATOM 878 CB GLN A 60 -6.964 -8.032 -10.856 1.00 0.00 C ATOM 879 CG GLN A 60 -6.183 -8.931 -11.817 1.00 0.00 C ATOM 880 CD GLN A 60 -7.045 -9.331 -13.016 1.00 0.00 C ATOM 881 OE1 GLN A 60 -8.186 -9.742 -12.885 1.00 0.00 O ATOM 882 NE2 GLN A 60 -6.437 -9.189 -14.192 1.00 0.00 N ATOM 0 H GLN A 60 -6.152 -5.707 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.443 -6.998 -12.658 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.310 -7.702 -10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.774 -8.600 -10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.291 -8.410 -12.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.847 -9.825 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.480 -8.839 -14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.929 -9.430 -15.053 1.00 0.00 H new ATOM 891 N ARG A 61 -9.259 -5.840 -10.213 1.00 0.00 N ATOM 892 CA ARG A 61 -10.621 -5.568 -9.783 1.00 0.00 C ATOM 893 C ARG A 61 -10.688 -4.231 -9.044 1.00 0.00 C ATOM 894 O ARG A 61 -10.956 -4.192 -7.845 1.00 0.00 O ATOM 895 CB ARG A 61 -11.141 -6.676 -8.866 1.00 0.00 C ATOM 896 CG ARG A 61 -10.676 -8.051 -9.348 1.00 0.00 C ATOM 897 CD ARG A 61 -11.249 -9.164 -8.468 1.00 0.00 C ATOM 898 NE ARG A 61 -11.342 -10.423 -9.241 1.00 0.00 N ATOM 899 CZ ARG A 61 -12.334 -10.704 -10.112 1.00 0.00 C ATOM 900 NH1 ARG A 61 -13.327 -9.817 -10.329 1.00 0.00 N ATOM 901 NH2 ARG A 61 -12.318 -11.861 -10.748 1.00 0.00 N ATOM 0 H ARG A 61 -8.536 -5.386 -9.655 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.247 -5.526 -10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.789 -6.506 -7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.230 -6.647 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.988 -8.203 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.587 -8.096 -9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.615 -9.310 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.235 -8.878 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.611 -11.122 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.332 -8.926 -9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.073 -10.038 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.564 -12.526 -10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.060 -12.090 -11.410 1.00 0.00 H new ATOM 913 N ALA A 62 -10.438 -3.165 -9.793 1.00 0.00 N ATOM 914 CA ALA A 62 -10.466 -1.828 -9.223 1.00 0.00 C ATOM 915 C ALA A 62 -11.920 -1.390 -9.031 1.00 0.00 C ATOM 916 O ALA A 62 -12.181 -0.283 -8.562 1.00 0.00 O ATOM 917 CB ALA A 62 -9.684 -0.872 -10.126 1.00 0.00 C ATOM 0 H ALA A 62 -10.216 -3.201 -10.788 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.987 -1.818 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.705 0.131 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.651 -1.211 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.138 -0.854 -11.117 1.00 0.00 H new ATOM 1040 N LEU A 71 -8.891 4.346 -8.216 1.00 0.00 N ATOM 1041 CA LEU A 71 -7.757 3.666 -7.616 1.00 0.00 C ATOM 1042 C LEU A 71 -6.756 4.705 -7.107 1.00 0.00 C ATOM 1043 O LEU A 71 -5.586 4.391 -6.888 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.154 2.659 -8.598 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.942 1.241 -8.061 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.281 0.548 -7.804 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.045 0.429 -8.995 1.00 0.00 C ATOM 0 HA LEU A 71 -8.076 3.081 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.802 2.602 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.193 3.045 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.427 1.311 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.103 -0.458 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.851 1.118 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.845 0.489 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.911 -0.574 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.509 0.364 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.075 0.917 -9.083 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.250 5.922 -6.936 1.00 0.00 N ATOM 1060 CA LYS A 72 -6.414 7.009 -6.459 1.00 0.00 C ATOM 1061 C LYS A 72 -5.637 6.547 -5.224 1.00 0.00 C ATOM 1062 O LYS A 72 -4.438 6.796 -5.110 1.00 0.00 O ATOM 1063 CB LYS A 72 -7.252 8.266 -6.221 1.00 0.00 C ATOM 1064 CG LYS A 72 -6.360 9.499 -6.058 1.00 0.00 C ATOM 1065 CD LYS A 72 -5.817 9.966 -7.411 1.00 0.00 C ATOM 1066 CE LYS A 72 -5.271 11.392 -7.320 1.00 0.00 C ATOM 1067 NZ LYS A 72 -3.966 11.493 -8.011 1.00 0.00 N ATOM 0 H LYS A 72 -8.220 6.179 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.679 7.282 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.935 8.415 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.864 8.135 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.928 10.304 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.531 9.267 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.028 9.291 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.609 9.923 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.980 12.088 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.159 11.679 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.610 12.467 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.287 10.843 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.083 11.240 -9.013 1.00 0.00 H new ATOM 1080 N THR A 73 -6.353 5.880 -4.330 1.00 0.00 N ATOM 1081 CA THR A 73 -5.748 5.379 -3.108 1.00 0.00 C ATOM 1082 C THR A 73 -4.597 4.425 -3.435 1.00 0.00 C ATOM 1083 O THR A 73 -3.536 4.491 -2.818 1.00 0.00 O ATOM 1084 CB THR A 73 -6.849 4.736 -2.263 1.00 0.00 C ATOM 1085 OG1 THR A 73 -7.366 5.813 -1.487 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.294 3.758 -1.225 1.00 0.00 C ATOM 0 H THR A 73 -7.347 5.675 -4.428 1.00 0.00 H new ATOM 0 HA THR A 73 -5.304 6.187 -2.527 1.00 0.00 H new ATOM 0 HB THR A 73 -7.549 4.213 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.087 5.484 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.117 3.330 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.750 2.960 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.619 4.286 -0.551 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.848 3.559 -4.407 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.846 2.593 -4.824 1.00 0.00 C ATOM 1096 C TRP A 74 -2.584 3.361 -5.223 1.00 0.00 C ATOM 1097 O TRP A 74 -1.471 2.926 -4.933 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.380 1.698 -5.945 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.304 0.857 -6.636 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.459 -0.022 -6.080 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -2.991 0.853 -8.045 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.629 -0.590 -7.022 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -1.961 -0.043 -8.256 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.559 1.580 -9.106 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.410 -0.292 -9.518 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.997 1.318 -10.361 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.960 0.420 -10.590 1.00 0.00 C ATOM 0 H TRP A 74 -5.730 3.507 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.598 1.918 -4.005 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.139 1.032 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.873 2.322 -6.690 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.432 -0.256 -5.026 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -0.903 -1.285 -6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.365 2.285 -8.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.603 -0.996 -9.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.397 1.851 -11.211 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.581 0.273 -11.591 1.00 0.00 H new ATOM 1118 N GLY A 75 -2.801 4.489 -5.881 1.00 0.00 N ATOM 1119 CA GLY A 75 -1.696 5.324 -6.323 1.00 0.00 C ATOM 1120 C GLY A 75 -0.747 5.635 -5.164 1.00 0.00 C ATOM 1121 O GLY A 75 0.470 5.521 -5.304 1.00 0.00 O ATOM 0 H GLY A 75 -3.726 4.846 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.150 4.819 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.082 6.254 -6.741 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.340 6.023 -4.044 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.563 6.352 -2.861 1.00 0.00 C ATOM 1127 C LEU A 76 0.223 5.118 -2.414 1.00 0.00 C ATOM 1128 O LEU A 76 1.408 5.215 -2.094 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.467 6.934 -1.772 1.00 0.00 C ATOM 1130 CG LEU A 76 -0.827 7.985 -0.862 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -1.115 9.400 -1.370 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -1.272 7.797 0.590 1.00 0.00 C ATOM 0 H LEU A 76 -2.349 6.117 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 76 0.166 7.130 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.339 7.379 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.828 6.115 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 76 0.254 7.847 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.649 10.127 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.710 9.515 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.192 9.567 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.803 8.556 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.356 7.893 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.975 6.807 0.936 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.466 3.987 -2.404 1.00 0.00 N ATOM 1145 CA VAL A 77 0.152 2.736 -2.001 1.00 0.00 C ATOM 1146 C VAL A 77 1.157 2.301 -3.069 1.00 0.00 C ATOM 1147 O VAL A 77 2.338 2.118 -2.779 1.00 0.00 O ATOM 1148 CB VAL A 77 -0.923 1.684 -1.726 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -0.886 1.230 -0.267 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -2.310 2.208 -2.103 1.00 0.00 C ATOM 0 H VAL A 77 -1.448 3.911 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 77 0.704 2.866 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.711 0.816 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.661 0.482 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.090 0.798 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.061 2.086 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.057 1.441 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.534 3.099 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.329 2.458 -3.164 1.00 0.00 H new ATOM 1160 N LEU A 78 0.650 2.147 -4.285 1.00 0.00 N ATOM 1161 CA LEU A 78 1.487 1.737 -5.398 1.00 0.00 C ATOM 1162 C LEU A 78 2.469 2.861 -5.733 1.00 0.00 C ATOM 1163 O LEU A 78 3.682 2.669 -5.670 1.00 0.00 O ATOM 1164 CB LEU A 78 0.625 1.299 -6.584 1.00 0.00 C ATOM 1165 CG LEU A 78 1.111 0.067 -7.349 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.420 0.361 -8.086 1.00 0.00 C ATOM 1167 CD2 LEU A 78 1.236 -1.141 -6.419 1.00 0.00 C ATOM 0 H LEU A 78 -0.330 2.299 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 78 2.081 0.865 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.384 1.102 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.555 2.132 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 78 0.365 -0.183 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.744 -0.531 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.264 1.174 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.186 0.650 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.583 -2.004 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.950 -0.918 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.264 -1.364 -5.979 1.00 0.00 H new ATOM 1179 N GLY A 79 1.909 4.010 -6.083 1.00 0.00 N ATOM 1180 CA GLY A 79 2.720 5.164 -6.428 1.00 0.00 C ATOM 1181 C GLY A 79 3.969 5.241 -5.548 1.00 0.00 C ATOM 1182 O GLY A 79 5.008 5.735 -5.981 1.00 0.00 O ATOM 0 H GLY A 79 0.902 4.166 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.013 5.107 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.132 6.074 -6.311 1.00 0.00 H new ATOM 1186 N ALA A 80 3.826 4.742 -4.329 1.00 0.00 N ATOM 1187 CA ALA A 80 4.929 4.747 -3.383 1.00 0.00 C ATOM 1188 C ALA A 80 5.987 3.738 -3.837 1.00 0.00 C ATOM 1189 O ALA A 80 7.175 4.053 -3.873 1.00 0.00 O ATOM 1190 CB ALA A 80 4.400 4.447 -1.979 1.00 0.00 C ATOM 0 H ALA A 80 2.962 4.331 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 80 5.402 5.728 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.228 4.451 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.674 5.208 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.921 3.468 -1.972 1.00 0.00 H new ATOM 1196 N LEU A 81 5.517 2.544 -4.169 1.00 0.00 N ATOM 1197 CA LEU A 81 6.407 1.487 -4.617 1.00 0.00 C ATOM 1198 C LEU A 81 7.292 2.018 -5.747 1.00 0.00 C ATOM 1199 O LEU A 81 8.498 1.772 -5.763 1.00 0.00 O ATOM 1200 CB LEU A 81 5.608 0.239 -4.996 1.00 0.00 C ATOM 1201 CG LEU A 81 6.202 -0.622 -6.112 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.447 -1.368 -5.629 1.00 0.00 C ATOM 1203 CD2 LEU A 81 5.151 -1.576 -6.687 1.00 0.00 C ATOM 0 H LEU A 81 4.531 2.286 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 81 7.071 1.179 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.496 -0.381 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.607 0.549 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 81 6.516 0.039 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.848 -1.972 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.200 -0.649 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.182 -2.016 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.599 -2.177 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.784 -2.232 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.321 -1.000 -7.095 1.00 0.00 H new ATOM 1215 N LYS A 82 6.660 2.736 -6.664 1.00 0.00 N ATOM 1216 CA LYS A 82 7.375 3.301 -7.794 1.00 0.00 C ATOM 1217 C LYS A 82 8.285 4.429 -7.305 1.00 0.00 C ATOM 1218 O LYS A 82 9.285 4.748 -7.946 1.00 0.00 O ATOM 1219 CB LYS A 82 6.395 3.735 -8.887 1.00 0.00 C ATOM 1220 CG LYS A 82 6.120 2.587 -9.861 1.00 0.00 C ATOM 1221 CD LYS A 82 4.768 1.932 -9.570 1.00 0.00 C ATOM 1222 CE LYS A 82 4.933 0.433 -9.308 1.00 0.00 C ATOM 1223 NZ LYS A 82 6.107 -0.095 -10.040 1.00 0.00 N ATOM 0 H LYS A 82 5.661 2.939 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 82 8.016 2.548 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.460 4.064 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.803 4.588 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.133 2.963 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.913 1.843 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.307 2.408 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.096 2.086 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.053 0.256 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.034 -0.098 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.029 -1.129 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.142 0.327 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.976 0.146 -9.522 1.00 0.00 H new ATOM 1236 N ALA A 83 7.907 5.002 -6.171 1.00 0.00 N ATOM 1237 CA ALA A 83 8.677 6.086 -5.586 1.00 0.00 C ATOM 1238 C ALA A 83 9.995 5.534 -5.039 1.00 0.00 C ATOM 1239 O ALA A 83 11.033 6.186 -5.139 1.00 0.00 O ATOM 1240 CB ALA A 83 7.843 6.780 -4.507 1.00 0.00 C ATOM 0 H ALA A 83 7.077 4.735 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 83 8.921 6.833 -6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.421 7.593 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.932 7.181 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.581 6.061 -3.731 1.00 0.00 H new ATOM 1246 N ALA A 84 9.909 4.339 -4.474 1.00 0.00 N ATOM 1247 CA ALA A 84 11.083 3.692 -3.912 1.00 0.00 C ATOM 1248 C ALA A 84 12.114 3.464 -5.019 1.00 0.00 C ATOM 1249 O ALA A 84 13.288 3.792 -4.855 1.00 0.00 O ATOM 1250 CB ALA A 84 10.667 2.390 -3.225 1.00 0.00 C ATOM 0 H ALA A 84 9.046 3.802 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 84 11.547 4.326 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.547 1.904 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.957 2.610 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.201 1.727 -3.954 1.00 0.00 H new ATOM 1256 N ARG A 85 11.638 2.905 -6.122 1.00 0.00 N ATOM 1257 CA ARG A 85 12.505 2.630 -7.256 1.00 0.00 C ATOM 1258 C ARG A 85 12.968 3.939 -7.900 1.00 0.00 C ATOM 1259 O ARG A 85 13.976 3.966 -8.603 1.00 0.00 O ATOM 1260 CB ARG A 85 11.785 1.780 -8.305 1.00 0.00 C ATOM 1261 CG ARG A 85 12.470 0.422 -8.474 1.00 0.00 C ATOM 1262 CD ARG A 85 13.330 0.395 -9.738 1.00 0.00 C ATOM 1263 NE ARG A 85 14.757 0.247 -9.378 1.00 0.00 N ATOM 1264 CZ ARG A 85 15.768 0.248 -10.272 1.00 0.00 C ATOM 1265 NH1 ARG A 85 15.516 0.388 -11.590 1.00 0.00 N ATOM 1266 NH2 ARG A 85 17.007 0.108 -9.838 1.00 0.00 N ATOM 0 H ARG A 85 10.663 2.635 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 85 13.369 2.077 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.746 1.633 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.773 2.307 -9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.091 0.213 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.718 -0.365 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.021 -0.430 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.184 1.313 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 85 14.992 0.137 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.556 0.494 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.286 0.388 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.189 0.001 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.782 0.107 -10.501 1.00 0.00 H new ATOM 1278 N GLU A 86 12.208 4.992 -7.635 1.00 0.00 N ATOM 1279 CA GLU A 86 12.528 6.300 -8.181 1.00 0.00 C ATOM 1280 C GLU A 86 13.585 6.992 -7.317 1.00 0.00 C ATOM 1281 O GLU A 86 14.560 7.531 -7.837 1.00 0.00 O ATOM 1282 CB GLU A 86 11.272 7.164 -8.305 1.00 0.00 C ATOM 1283 CG GLU A 86 11.465 8.268 -9.347 1.00 0.00 C ATOM 1284 CD GLU A 86 10.491 9.424 -9.111 1.00 0.00 C ATOM 1285 OE1 GLU A 86 10.219 9.778 -7.954 1.00 0.00 O ATOM 1286 OE2 GLU A 86 10.010 9.959 -10.181 1.00 0.00 O ATOM 0 H GLU A 86 11.373 4.966 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 86 12.937 6.164 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.423 6.540 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.036 7.609 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.490 8.637 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.314 7.860 -10.346 1.00 0.00 H new ATOM 1294 N GLU A 87 13.355 6.953 -6.012 1.00 0.00 N ATOM 1295 CA GLU A 87 14.276 7.568 -5.071 1.00 0.00 C ATOM 1296 C GLU A 87 14.470 9.047 -5.410 1.00 0.00 C ATOM 1297 O GLU A 87 15.456 9.656 -5.000 1.00 0.00 O ATOM 1298 CB GLU A 87 15.615 6.829 -5.052 1.00 0.00 C ATOM 1299 CG GLU A 87 15.850 6.157 -3.698 1.00 0.00 C ATOM 1300 CD GLU A 87 16.941 5.089 -3.799 1.00 0.00 C ATOM 1301 OE1 GLU A 87 17.286 4.658 -4.908 1.00 0.00 O ATOM 1302 OE2 GLU A 87 17.434 4.704 -2.670 1.00 0.00 O ATOM 0 H GLU A 87 12.544 6.505 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 87 13.846 7.497 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.632 6.079 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.424 7.529 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.137 6.907 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.923 5.703 -3.347 1.00 0.00 H new