USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 473 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 48 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-3.4!) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= 1.29 K(o=1.3,f=-18!) USER MOD Set 2.2: A 30 SER OG : rot -89:sc= 0.0304! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -21:sc= 0.618 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0466 (180deg=-0.432) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 76:sc= 0.743 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= -0.365 (180deg=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -2.08 (180deg=-2.34!) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -1.24 (180deg=-1.82) USER MOD Single : A 45 SER OG : rot -140:sc= -1.13 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 90:sc= -2.05 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.374 1.149 -0.607 1.00 0.00 N ATOM 21 CA LYS A 2 10.298 2.188 -0.668 1.00 0.00 C ATOM 22 C LYS A 2 9.937 2.491 -2.123 1.00 0.00 C ATOM 23 O LYS A 2 10.744 2.352 -3.025 1.00 0.00 O ATOM 24 CB LYS A 2 10.789 3.469 0.007 1.00 0.00 C ATOM 25 CG LYS A 2 10.920 3.230 1.513 1.00 0.00 C ATOM 26 CD LYS A 2 11.378 4.519 2.202 1.00 0.00 C ATOM 27 CE LYS A 2 11.509 4.274 3.708 1.00 0.00 C ATOM 28 NZ LYS A 2 11.933 5.534 4.383 1.00 0.00 N ATOM 0 HA LYS A 2 9.414 1.812 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.751 3.768 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.091 4.285 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.964 2.906 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.636 2.430 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.334 4.844 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.662 5.319 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.557 3.933 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.237 3.485 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.022 5.367 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.851 5.841 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.223 6.275 4.214 1.00 0.00 H new ATOM 42 N GLY A 3 8.717 2.902 -2.354 1.00 0.00 N ATOM 43 CA GLY A 3 8.282 3.212 -3.742 1.00 0.00 C ATOM 44 C GLY A 3 7.092 4.172 -3.711 1.00 0.00 C ATOM 45 O GLY A 3 6.947 4.982 -2.814 1.00 0.00 O ATOM 0 H GLY A 3 8.004 3.036 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.106 3.658 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.006 2.293 -4.260 1.00 0.00 H new ATOM 49 N LYS A 4 6.238 4.085 -4.703 1.00 0.00 N ATOM 50 CA LYS A 4 5.045 4.981 -4.774 1.00 0.00 C ATOM 51 C LYS A 4 3.796 4.149 -5.067 1.00 0.00 C ATOM 52 O LYS A 4 3.824 3.211 -5.843 1.00 0.00 O ATOM 53 CB LYS A 4 5.249 6.001 -5.896 1.00 0.00 C ATOM 54 CG LYS A 4 6.363 6.975 -5.503 1.00 0.00 C ATOM 55 CD LYS A 4 6.574 7.984 -6.634 1.00 0.00 C ATOM 56 CE LYS A 4 7.666 8.978 -6.241 1.00 0.00 C ATOM 57 NZ LYS A 4 7.877 9.947 -7.354 1.00 0.00 N ATOM 0 H LYS A 4 6.320 3.423 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 4 4.920 5.498 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.508 5.490 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.323 6.546 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.100 7.494 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.287 6.430 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.855 7.464 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.644 8.514 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.381 9.508 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.594 8.449 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.620 10.624 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.167 9.434 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.992 10.460 -7.540 1.00 0.00 H new ATOM 71 N VAL A 5 2.696 4.493 -4.448 1.00 0.00 N ATOM 72 CA VAL A 5 1.439 3.732 -4.681 1.00 0.00 C ATOM 73 C VAL A 5 0.774 4.221 -5.970 1.00 0.00 C ATOM 74 O VAL A 5 0.401 5.374 -6.097 1.00 0.00 O ATOM 75 CB VAL A 5 0.499 3.945 -3.487 1.00 0.00 C ATOM 76 CG1 VAL A 5 -0.046 5.381 -3.481 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.665 2.953 -3.573 1.00 0.00 C ATOM 0 H VAL A 5 2.617 5.269 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 5 1.660 2.670 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 5 1.057 3.780 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.711 5.514 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.783 6.085 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.598 5.565 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.334 3.103 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.213 3.115 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.277 1.934 -3.554 1.00 0.00 H new ATOM 87 N VAL A 6 0.628 3.348 -6.934 1.00 0.00 N ATOM 88 CA VAL A 6 -0.009 3.748 -8.222 1.00 0.00 C ATOM 89 C VAL A 6 -1.524 3.547 -8.142 1.00 0.00 C ATOM 90 O VAL A 6 -2.288 4.262 -8.763 1.00 0.00 O ATOM 91 CB VAL A 6 0.570 2.900 -9.363 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.415 1.407 -9.048 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.171 3.222 -10.661 1.00 0.00 C ATOM 0 H VAL A 6 0.924 2.373 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 6 0.196 4.801 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 6 1.629 3.131 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.830 0.818 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.947 1.173 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.642 1.168 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.239 2.621 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.230 2.996 -10.541 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.050 4.279 -10.896 1.00 0.00 H new ATOM 103 N SER A 7 -1.977 2.578 -7.386 1.00 0.00 N ATOM 104 CA SER A 7 -3.447 2.349 -7.292 1.00 0.00 C ATOM 105 C SER A 7 -3.802 1.610 -5.997 1.00 0.00 C ATOM 106 O SER A 7 -3.007 0.875 -5.441 1.00 0.00 O ATOM 107 CB SER A 7 -3.914 1.514 -8.483 1.00 0.00 C ATOM 108 OG SER A 7 -3.518 2.155 -9.687 1.00 0.00 O ATOM 0 H SER A 7 -1.398 1.943 -6.836 1.00 0.00 H new ATOM 0 HA SER A 7 -3.944 3.319 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.485 0.513 -8.432 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.997 1.398 -8.458 1.00 0.00 H new ATOM 0 HG SER A 7 -3.347 3.104 -9.511 1.00 0.00 H new ATOM 114 N TYR A 8 -5.010 1.800 -5.530 1.00 0.00 N ATOM 115 CA TYR A 8 -5.464 1.118 -4.287 1.00 0.00 C ATOM 116 C TYR A 8 -6.996 1.117 -4.251 1.00 0.00 C ATOM 117 O TYR A 8 -7.641 0.110 -4.480 1.00 0.00 O ATOM 118 CB TYR A 8 -4.923 1.865 -3.062 1.00 0.00 C ATOM 119 CG TYR A 8 -5.554 1.299 -1.807 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.358 -0.045 -1.475 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.345 2.116 -0.985 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.948 -0.575 -0.323 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.935 1.583 0.168 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.735 0.239 0.498 1.00 0.00 C ATOM 125 OH TYR A 8 -7.313 -0.286 1.636 1.00 0.00 O ATOM 0 H TYR A 8 -5.706 2.406 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.093 0.093 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.839 1.767 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.144 2.929 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.751 -0.674 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.499 3.154 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.796 -1.613 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.544 2.210 0.802 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.826 0.412 2.094 1.00 0.00 H new ATOM 135 N LEU A 9 -7.573 2.250 -3.963 1.00 0.00 N ATOM 136 CA LEU A 9 -9.058 2.365 -3.905 1.00 0.00 C ATOM 137 C LEU A 9 -9.623 1.374 -2.881 1.00 0.00 C ATOM 138 O LEU A 9 -9.516 0.171 -3.027 1.00 0.00 O ATOM 139 CB LEU A 9 -9.657 2.088 -5.289 1.00 0.00 C ATOM 140 CG LEU A 9 -8.798 2.767 -6.361 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.505 2.682 -7.714 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.570 4.237 -5.994 1.00 0.00 C ATOM 0 H LEU A 9 -7.071 3.115 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.323 3.377 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.702 1.014 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.680 2.462 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.835 2.260 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.893 3.165 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.656 1.636 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.471 3.184 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.959 4.713 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.530 4.748 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.059 4.297 -5.033 1.00 0.00 H new ATOM 154 N ALA A 10 -10.234 1.887 -1.847 1.00 0.00 N ATOM 155 CA ALA A 10 -10.827 1.009 -0.799 1.00 0.00 C ATOM 156 C ALA A 10 -11.922 0.144 -1.429 1.00 0.00 C ATOM 157 O ALA A 10 -12.223 -0.942 -0.969 1.00 0.00 O ATOM 158 CB ALA A 10 -11.438 1.886 0.298 1.00 0.00 C ATOM 0 H ALA A 10 -10.348 2.887 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.057 0.367 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.875 1.252 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.661 2.511 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.213 2.520 -0.132 1.00 0.00 H new ATOM 164 N ALA A 11 -12.519 0.629 -2.483 1.00 0.00 N ATOM 165 CA ALA A 11 -13.600 -0.137 -3.168 1.00 0.00 C ATOM 166 C ALA A 11 -13.034 -1.448 -3.720 1.00 0.00 C ATOM 167 O ALA A 11 -13.697 -2.468 -3.741 1.00 0.00 O ATOM 168 CB ALA A 11 -14.150 0.697 -4.325 1.00 0.00 C ATOM 0 H ALA A 11 -12.302 1.533 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.395 -0.357 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.941 0.142 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.553 1.633 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.349 0.911 -5.032 1.00 0.00 H new ATOM 174 N LYS A 12 -11.809 -1.427 -4.171 1.00 0.00 N ATOM 175 CA LYS A 12 -11.191 -2.666 -4.726 1.00 0.00 C ATOM 176 C LYS A 12 -10.420 -3.374 -3.611 1.00 0.00 C ATOM 177 O LYS A 12 -9.938 -4.477 -3.777 1.00 0.00 O ATOM 178 CB LYS A 12 -10.227 -2.285 -5.856 1.00 0.00 C ATOM 179 CG LYS A 12 -11.030 -1.740 -7.043 1.00 0.00 C ATOM 180 CD LYS A 12 -10.076 -1.241 -8.138 1.00 0.00 C ATOM 181 CE LYS A 12 -9.507 -2.427 -8.929 1.00 0.00 C ATOM 182 NZ LYS A 12 -8.813 -1.923 -10.148 1.00 0.00 N ATOM 0 H LYS A 12 -11.208 -0.603 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.963 -3.328 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.517 -1.535 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.646 -3.155 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.679 -2.520 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.675 -0.926 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.605 -0.566 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.263 -0.671 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.811 -2.992 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.309 -3.109 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.427 -2.726 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.489 -1.402 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.038 -1.289 -9.869 1.00 0.00 H new ATOM 196 N LYS A 13 -10.307 -2.732 -2.473 1.00 0.00 N ATOM 197 CA LYS A 13 -9.575 -3.333 -1.317 1.00 0.00 C ATOM 198 C LYS A 13 -8.134 -3.658 -1.718 1.00 0.00 C ATOM 199 O LYS A 13 -7.331 -4.077 -0.906 1.00 0.00 O ATOM 200 CB LYS A 13 -10.290 -4.610 -0.855 1.00 0.00 C ATOM 201 CG LYS A 13 -11.664 -4.243 -0.294 1.00 0.00 C ATOM 202 CD LYS A 13 -12.391 -5.516 0.142 1.00 0.00 C ATOM 203 CE LYS A 13 -13.804 -5.168 0.616 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.728 -4.224 1.767 1.00 0.00 N ATOM 0 H LYS A 13 -10.696 -1.806 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.559 -2.616 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.398 -5.303 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.697 -5.118 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.554 -3.566 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.249 -3.717 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.439 -6.221 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.838 -6.005 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.371 -4.718 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.333 -6.074 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.645 -4.199 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.991 -4.542 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.494 -3.272 1.420 1.00 0.00 H new ATOM 218 N TYR A 14 -7.794 -3.457 -2.961 1.00 0.00 N ATOM 219 CA TYR A 14 -6.406 -3.740 -3.404 1.00 0.00 C ATOM 220 C TYR A 14 -6.120 -3.010 -4.716 1.00 0.00 C ATOM 221 O TYR A 14 -7.018 -2.554 -5.401 1.00 0.00 O ATOM 222 CB TYR A 14 -6.207 -5.248 -3.596 1.00 0.00 C ATOM 223 CG TYR A 14 -7.215 -5.797 -4.583 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.035 -5.603 -5.960 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.328 -6.512 -4.120 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.966 -6.123 -6.869 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.256 -7.034 -5.029 1.00 0.00 C ATOM 228 CZ TYR A 14 -9.076 -6.839 -6.404 1.00 0.00 C ATOM 229 OH TYR A 14 -9.992 -7.354 -7.299 1.00 0.00 O ATOM 0 H TYR A 14 -8.420 -3.109 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.715 -3.388 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.196 -5.444 -3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.312 -5.759 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.178 -5.053 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.470 -6.661 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.827 -5.971 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.111 -7.587 -4.670 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.699 -7.823 -6.809 1.00 0.00 H new ATOM 239 N GLY A 15 -4.868 -2.897 -5.067 1.00 0.00 N ATOM 240 CA GLY A 15 -4.503 -2.200 -6.329 1.00 0.00 C ATOM 241 C GLY A 15 -3.089 -2.604 -6.743 1.00 0.00 C ATOM 242 O GLY A 15 -2.755 -3.772 -6.812 1.00 0.00 O ATOM 0 H GLY A 15 -4.080 -3.260 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.211 -2.457 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.558 -1.120 -6.190 1.00 0.00 H new ATOM 246 N PHE A 16 -2.254 -1.639 -7.024 1.00 0.00 N ATOM 247 CA PHE A 16 -0.855 -1.945 -7.443 1.00 0.00 C ATOM 248 C PHE A 16 0.093 -0.898 -6.856 1.00 0.00 C ATOM 249 O PHE A 16 -0.295 0.219 -6.567 1.00 0.00 O ATOM 250 CB PHE A 16 -0.766 -1.913 -8.966 1.00 0.00 C ATOM 251 CG PHE A 16 -1.531 -3.082 -9.534 1.00 0.00 C ATOM 252 CD1 PHE A 16 -0.893 -4.314 -9.714 1.00 0.00 C ATOM 253 CD2 PHE A 16 -2.880 -2.935 -9.879 1.00 0.00 C ATOM 254 CE1 PHE A 16 -1.602 -5.399 -10.241 1.00 0.00 C ATOM 255 CE2 PHE A 16 -3.590 -4.021 -10.406 1.00 0.00 C ATOM 256 CZ PHE A 16 -2.951 -5.253 -10.587 1.00 0.00 C ATOM 0 H PHE A 16 -2.483 -0.646 -6.981 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.573 -2.934 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.175 -0.977 -9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.276 -1.957 -9.282 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.147 -4.428 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.373 -1.984 -9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.109 -6.349 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.630 -3.908 -10.673 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.498 -6.091 -10.993 1.00 0.00 H new ATOM 266 N ILE A 17 1.339 -1.261 -6.681 1.00 0.00 N ATOM 267 CA ILE A 17 2.344 -0.312 -6.113 1.00 0.00 C ATOM 268 C ILE A 17 3.558 -0.249 -7.041 1.00 0.00 C ATOM 269 O ILE A 17 4.068 -1.259 -7.493 1.00 0.00 O ATOM 270 CB ILE A 17 2.776 -0.805 -4.733 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.579 -0.749 -3.780 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.900 0.085 -4.198 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.919 -1.488 -2.485 1.00 0.00 C ATOM 0 H ILE A 17 1.706 -2.185 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 17 1.906 0.682 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 17 3.136 -1.831 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.323 0.288 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.706 -1.201 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.207 -0.268 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.750 0.046 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.545 1.113 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.066 -1.447 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.154 -2.528 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.780 -1.016 -2.012 1.00 0.00 H new ATOM 285 N GLN A 18 4.022 0.941 -7.330 1.00 0.00 N ATOM 286 CA GLN A 18 5.197 1.094 -8.232 1.00 0.00 C ATOM 287 C GLN A 18 6.481 1.088 -7.398 1.00 0.00 C ATOM 288 O GLN A 18 6.885 2.090 -6.836 1.00 0.00 O ATOM 289 CB GLN A 18 5.078 2.414 -8.995 1.00 0.00 C ATOM 290 CG GLN A 18 6.279 2.570 -9.927 1.00 0.00 C ATOM 291 CD GLN A 18 6.088 3.795 -10.825 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.098 4.495 -10.721 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.002 4.081 -11.710 1.00 0.00 N ATOM 0 H GLN A 18 3.633 1.815 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 18 5.228 0.268 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.152 2.432 -9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.035 3.249 -8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.193 2.676 -9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.394 1.675 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.831 3.493 -11.795 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.888 4.893 -12.317 1.00 0.00 H new ATOM 302 N GLY A 19 7.113 -0.053 -7.313 1.00 0.00 N ATOM 303 CA GLY A 19 8.363 -0.174 -6.513 1.00 0.00 C ATOM 304 C GLY A 19 9.489 0.654 -7.134 1.00 0.00 C ATOM 305 O GLY A 19 9.435 1.048 -8.284 1.00 0.00 O ATOM 0 H GLY A 19 6.812 -0.914 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.180 0.161 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.664 -1.220 -6.456 1.00 0.00 H new ATOM 309 N ASP A 20 10.515 0.910 -6.366 1.00 0.00 N ATOM 310 CA ASP A 20 11.667 1.704 -6.877 1.00 0.00 C ATOM 311 C ASP A 20 12.388 0.924 -7.982 1.00 0.00 C ATOM 312 O ASP A 20 12.889 1.493 -8.934 1.00 0.00 O ATOM 313 CB ASP A 20 12.641 1.976 -5.726 1.00 0.00 C ATOM 314 CG ASP A 20 13.116 0.651 -5.117 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.515 -0.368 -5.414 1.00 0.00 O ATOM 316 OD2 ASP A 20 14.077 0.680 -4.365 1.00 0.00 O ATOM 0 H ASP A 20 10.603 0.600 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 20 11.304 2.647 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.496 2.546 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.154 2.583 -4.963 1.00 0.00 H new ATOM 321 N ASP A 21 12.443 -0.375 -7.863 1.00 0.00 N ATOM 322 CA ASP A 21 13.131 -1.194 -8.900 1.00 0.00 C ATOM 323 C ASP A 21 12.162 -1.454 -10.057 1.00 0.00 C ATOM 324 O ASP A 21 12.475 -2.147 -11.008 1.00 0.00 O ATOM 325 CB ASP A 21 13.570 -2.524 -8.280 1.00 0.00 C ATOM 326 CG ASP A 21 14.394 -3.317 -9.294 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.767 -2.743 -10.303 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.644 -4.485 -9.042 1.00 0.00 O ATOM 0 H ASP A 21 12.040 -0.905 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 21 14.007 -0.664 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.159 -2.341 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.696 -3.101 -7.976 1.00 0.00 H new ATOM 333 N GLY A 22 10.981 -0.900 -9.976 1.00 0.00 N ATOM 334 CA GLY A 22 9.976 -1.108 -11.055 1.00 0.00 C ATOM 335 C GLY A 22 9.248 -2.429 -10.811 1.00 0.00 C ATOM 336 O GLY A 22 8.582 -2.960 -11.681 1.00 0.00 O ATOM 0 H GLY A 22 10.670 -0.310 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.264 -0.283 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.467 -1.123 -12.028 1.00 0.00 H new ATOM 340 N GLU A 23 9.379 -2.968 -9.626 1.00 0.00 N ATOM 341 CA GLU A 23 8.709 -4.262 -9.307 1.00 0.00 C ATOM 342 C GLU A 23 7.331 -3.994 -8.700 1.00 0.00 C ATOM 343 O GLU A 23 7.194 -3.304 -7.705 1.00 0.00 O ATOM 344 CB GLU A 23 9.570 -5.042 -8.314 1.00 0.00 C ATOM 345 CG GLU A 23 10.877 -5.447 -8.997 1.00 0.00 C ATOM 346 CD GLU A 23 11.753 -6.229 -8.017 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.322 -6.422 -6.892 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.838 -6.625 -8.409 1.00 0.00 O ATOM 0 H GLU A 23 9.924 -2.565 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 23 8.587 -4.845 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.778 -4.431 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.036 -5.927 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.665 -6.056 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.407 -4.560 -9.344 1.00 0.00 H new ATOM 355 N SER A 24 6.308 -4.534 -9.305 1.00 0.00 N ATOM 356 CA SER A 24 4.927 -4.319 -8.796 1.00 0.00 C ATOM 357 C SER A 24 4.673 -5.189 -7.565 1.00 0.00 C ATOM 358 O SER A 24 5.229 -6.264 -7.417 1.00 0.00 O ATOM 359 CB SER A 24 3.930 -4.685 -9.893 1.00 0.00 C ATOM 360 OG SER A 24 4.016 -6.078 -10.157 1.00 0.00 O ATOM 0 H SER A 24 6.373 -5.120 -10.137 1.00 0.00 H new ATOM 0 HA SER A 24 4.807 -3.273 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.918 -4.423 -9.583 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.143 -4.117 -10.799 1.00 0.00 H new ATOM 0 HG SER A 24 3.376 -6.318 -10.860 1.00 0.00 H new ATOM 366 N TYR A 25 3.824 -4.728 -6.683 1.00 0.00 N ATOM 367 CA TYR A 25 3.506 -5.507 -5.451 1.00 0.00 C ATOM 368 C TYR A 25 2.001 -5.437 -5.181 1.00 0.00 C ATOM 369 O TYR A 25 1.378 -4.399 -5.312 1.00 0.00 O ATOM 370 CB TYR A 25 4.279 -4.923 -4.271 1.00 0.00 C ATOM 371 CG TYR A 25 5.755 -5.135 -4.502 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.342 -6.361 -4.169 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.536 -4.113 -5.054 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.710 -6.565 -4.387 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.903 -4.316 -5.273 1.00 0.00 C ATOM 376 CZ TYR A 25 8.490 -5.543 -4.939 1.00 0.00 C ATOM 377 OH TYR A 25 9.839 -5.745 -5.156 1.00 0.00 O ATOM 0 H TYR A 25 3.334 -3.837 -6.765 1.00 0.00 H new ATOM 0 HA TYR A 25 3.795 -6.549 -5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.062 -3.860 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.970 -5.403 -3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.740 -7.150 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.083 -3.167 -5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.163 -7.511 -4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.505 -3.527 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 25 9.962 -6.314 -5.944 1.00 0.00 H new ATOM 387 N PHE A 26 1.417 -6.545 -4.813 1.00 0.00 N ATOM 388 CA PHE A 26 -0.047 -6.573 -4.540 1.00 0.00 C ATOM 389 C PHE A 26 -0.334 -5.971 -3.168 1.00 0.00 C ATOM 390 O PHE A 26 0.387 -6.196 -2.214 1.00 0.00 O ATOM 391 CB PHE A 26 -0.536 -8.022 -4.581 1.00 0.00 C ATOM 392 CG PHE A 26 -0.643 -8.466 -6.020 1.00 0.00 C ATOM 393 CD1 PHE A 26 -1.804 -8.185 -6.749 1.00 0.00 C ATOM 394 CD2 PHE A 26 0.416 -9.150 -6.625 1.00 0.00 C ATOM 395 CE1 PHE A 26 -1.907 -8.590 -8.083 1.00 0.00 C ATOM 396 CE2 PHE A 26 0.313 -9.557 -7.961 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.848 -9.276 -8.690 1.00 0.00 C ATOM 0 H PHE A 26 1.895 -7.437 -4.689 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.569 -5.987 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.155 -8.668 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.505 -8.106 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.620 -7.655 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.313 -9.364 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.803 -8.374 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.129 -10.088 -8.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.927 -9.588 -9.721 1.00 0.00 H new ATOM 407 N LEU A 27 -1.394 -5.202 -3.068 1.00 0.00 N ATOM 408 CA LEU A 27 -1.747 -4.566 -1.767 1.00 0.00 C ATOM 409 C LEU A 27 -3.079 -5.129 -1.269 1.00 0.00 C ATOM 410 O LEU A 27 -4.112 -4.981 -1.903 1.00 0.00 O ATOM 411 CB LEU A 27 -1.875 -3.051 -1.973 1.00 0.00 C ATOM 412 CG LEU A 27 -1.733 -2.327 -0.625 1.00 0.00 C ATOM 413 CD1 LEU A 27 -1.714 -0.811 -0.849 1.00 0.00 C ATOM 414 CD2 LEU A 27 -2.897 -2.703 0.306 1.00 0.00 C ATOM 0 H LEU A 27 -2.029 -4.990 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.971 -4.774 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.108 -2.703 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.840 -2.816 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.797 -2.633 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.613 -0.303 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.872 -0.548 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.643 -0.502 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.784 -2.183 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.841 -2.413 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.892 -3.779 0.478 1.00 0.00 H new ATOM 426 N HIS A 28 -3.058 -5.766 -0.122 1.00 0.00 N ATOM 427 CA HIS A 28 -4.305 -6.344 0.460 1.00 0.00 C ATOM 428 C HIS A 28 -4.482 -5.815 1.888 1.00 0.00 C ATOM 429 O HIS A 28 -3.538 -5.721 2.654 1.00 0.00 O ATOM 430 CB HIS A 28 -4.197 -7.873 0.487 1.00 0.00 C ATOM 431 CG HIS A 28 -5.574 -8.471 0.596 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.183 -8.712 1.816 1.00 0.00 N ATOM 433 CD2 HIS A 28 -6.475 -8.867 -0.359 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.398 -9.230 1.566 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.626 -9.346 0.254 1.00 0.00 N ATOM 0 H HIS A 28 -2.219 -5.910 0.440 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.163 -6.056 -0.147 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.705 -8.230 -0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.583 -8.190 1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -6.314 -8.814 -1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.104 -9.517 2.332 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.465 -9.708 -0.200 1.00 0.00 H new ATOM 443 N PHE A 29 -5.688 -5.463 2.240 1.00 0.00 N ATOM 444 CA PHE A 29 -5.952 -4.930 3.605 1.00 0.00 C ATOM 445 C PHE A 29 -5.558 -5.976 4.654 1.00 0.00 C ATOM 446 O PHE A 29 -5.198 -5.654 5.772 1.00 0.00 O ATOM 447 CB PHE A 29 -7.445 -4.572 3.727 1.00 0.00 C ATOM 448 CG PHE A 29 -8.272 -5.805 4.044 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.392 -6.239 5.370 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.917 -6.506 3.018 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.154 -7.372 5.670 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.681 -7.641 3.318 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.800 -8.074 4.644 1.00 0.00 C ATOM 0 H PHE A 29 -6.507 -5.523 1.635 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.358 -4.032 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.582 -3.826 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.793 -4.125 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.895 -5.698 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.825 -6.172 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.245 -7.706 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.178 -8.182 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.389 -8.949 4.876 1.00 0.00 H new ATOM 463 N SER A 30 -5.632 -7.228 4.299 1.00 0.00 N ATOM 464 CA SER A 30 -5.272 -8.304 5.262 1.00 0.00 C ATOM 465 C SER A 30 -3.790 -8.187 5.624 1.00 0.00 C ATOM 466 O SER A 30 -3.359 -8.600 6.683 1.00 0.00 O ATOM 467 CB SER A 30 -5.528 -9.664 4.612 1.00 0.00 C ATOM 468 OG SER A 30 -4.739 -9.774 3.434 1.00 0.00 O ATOM 0 H SER A 30 -5.928 -7.553 3.379 1.00 0.00 H new ATOM 0 HA SER A 30 -5.876 -8.207 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.279 -10.466 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.585 -9.771 4.368 1.00 0.00 H new ATOM 0 HG SER A 30 -5.239 -9.416 2.671 1.00 0.00 H new ATOM 474 N GLU A 31 -3.006 -7.625 4.744 1.00 0.00 N ATOM 475 CA GLU A 31 -1.550 -7.476 5.021 1.00 0.00 C ATOM 476 C GLU A 31 -1.318 -6.278 5.946 1.00 0.00 C ATOM 477 O GLU A 31 -0.202 -5.975 6.323 1.00 0.00 O ATOM 478 CB GLU A 31 -0.811 -7.254 3.697 1.00 0.00 C ATOM 479 CG GLU A 31 -0.855 -8.533 2.855 1.00 0.00 C ATOM 480 CD GLU A 31 -0.044 -9.630 3.548 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.803 -9.290 4.357 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.281 -10.790 3.254 1.00 0.00 O ATOM 0 H GLU A 31 -3.313 -7.262 3.842 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.176 -8.377 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.269 -6.431 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.224 -6.971 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.887 -8.858 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.451 -8.341 1.861 1.00 0.00 H new ATOM 489 N LEU A 32 -2.367 -5.597 6.327 1.00 0.00 N ATOM 490 CA LEU A 32 -2.204 -4.420 7.229 1.00 0.00 C ATOM 491 C LEU A 32 -2.127 -4.895 8.684 1.00 0.00 C ATOM 492 O LEU A 32 -2.942 -5.673 9.145 1.00 0.00 O ATOM 493 CB LEU A 32 -3.393 -3.471 7.057 1.00 0.00 C ATOM 494 CG LEU A 32 -3.416 -2.925 5.621 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.711 -2.134 5.399 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.203 -2.007 5.374 1.00 0.00 C ATOM 0 H LEU A 32 -3.327 -5.805 6.053 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.285 -3.893 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.324 -3.996 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.320 -2.648 7.768 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.369 -3.762 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.730 -1.745 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.568 -2.789 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.756 -1.305 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.235 -1.629 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.232 -1.170 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.283 -2.572 5.523 1.00 0.00 H new ATOM 508 N LEU A 33 -1.149 -4.417 9.409 1.00 0.00 N ATOM 509 CA LEU A 33 -0.996 -4.818 10.837 1.00 0.00 C ATOM 510 C LEU A 33 -2.210 -4.329 11.625 1.00 0.00 C ATOM 511 O LEU A 33 -2.722 -5.013 12.492 1.00 0.00 O ATOM 512 CB LEU A 33 0.274 -4.181 11.409 1.00 0.00 C ATOM 513 CG LEU A 33 1.475 -4.518 10.514 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.735 -3.859 11.085 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.670 -6.040 10.455 1.00 0.00 C ATOM 0 H LEU A 33 -0.445 -3.761 9.069 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.922 -5.903 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.151 -3.100 11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.450 -4.545 12.421 1.00 0.00 H new ATOM 0 HG LEU A 33 1.292 -4.143 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.589 -4.097 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.597 -2.778 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.916 -4.232 12.093 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.524 -6.273 9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.851 -6.423 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.774 -6.506 10.045 1.00 0.00 H new ATOM 527 N ASP A 34 -2.682 -3.147 11.319 1.00 0.00 N ATOM 528 CA ASP A 34 -3.873 -2.589 12.027 1.00 0.00 C ATOM 529 C ASP A 34 -4.860 -2.065 10.982 1.00 0.00 C ATOM 530 O ASP A 34 -4.716 -0.975 10.460 1.00 0.00 O ATOM 531 CB ASP A 34 -3.443 -1.450 12.959 1.00 0.00 C ATOM 532 CG ASP A 34 -2.729 -2.034 14.182 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.837 -3.232 14.392 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.089 -1.275 14.889 1.00 0.00 O ATOM 0 H ASP A 34 -2.288 -2.539 10.601 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.346 -3.367 12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.781 -0.764 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.314 -0.874 13.273 1.00 0.00 H new ATOM 539 N LYS A 35 -5.863 -2.847 10.669 1.00 0.00 N ATOM 540 CA LYS A 35 -6.872 -2.422 9.653 1.00 0.00 C ATOM 541 C LYS A 35 -7.307 -0.979 9.931 1.00 0.00 C ATOM 542 O LYS A 35 -7.907 -0.322 9.102 1.00 0.00 O ATOM 543 CB LYS A 35 -8.088 -3.348 9.739 1.00 0.00 C ATOM 544 CG LYS A 35 -7.701 -4.754 9.270 1.00 0.00 C ATOM 545 CD LYS A 35 -8.961 -5.608 9.092 1.00 0.00 C ATOM 546 CE LYS A 35 -9.612 -5.886 10.451 1.00 0.00 C ATOM 547 NZ LYS A 35 -10.595 -6.999 10.314 1.00 0.00 N ATOM 0 H LYS A 35 -6.026 -3.767 11.077 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.435 -2.479 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.457 -3.385 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.898 -2.959 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.154 -4.696 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.035 -5.219 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.668 -5.094 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.705 -6.549 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.850 -6.148 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.111 -4.989 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.037 -7.188 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.329 -6.732 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.106 -7.855 9.983 1.00 0.00 H new ATOM 561 N LYS A 36 -6.998 -0.485 11.098 1.00 0.00 N ATOM 562 CA LYS A 36 -7.374 0.911 11.459 1.00 0.00 C ATOM 563 C LYS A 36 -6.639 1.900 10.547 1.00 0.00 C ATOM 564 O LYS A 36 -7.162 2.936 10.182 1.00 0.00 O ATOM 565 CB LYS A 36 -6.980 1.174 12.909 1.00 0.00 C ATOM 566 CG LYS A 36 -7.857 0.328 13.837 1.00 0.00 C ATOM 567 CD LYS A 36 -7.412 0.510 15.298 1.00 0.00 C ATOM 568 CE LYS A 36 -8.050 1.773 15.887 1.00 0.00 C ATOM 569 NZ LYS A 36 -9.534 1.657 15.808 1.00 0.00 N ATOM 0 H LYS A 36 -6.496 -0.995 11.825 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.449 1.041 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.929 0.930 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.099 2.232 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.902 0.620 13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.788 -0.723 13.556 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.701 -0.361 15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.326 0.583 15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.738 1.902 16.923 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.713 2.654 15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.965 2.156 16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.868 2.081 14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.806 0.654 15.837 1.00 0.00 H new ATOM 583 N ASP A 37 -5.421 1.590 10.189 1.00 0.00 N ATOM 584 CA ASP A 37 -4.638 2.508 9.312 1.00 0.00 C ATOM 585 C ASP A 37 -5.180 2.437 7.883 1.00 0.00 C ATOM 586 O ASP A 37 -4.732 3.138 6.996 1.00 0.00 O ATOM 587 CB ASP A 37 -3.159 2.104 9.332 1.00 0.00 C ATOM 588 CG ASP A 37 -2.977 0.749 8.641 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.976 0.142 8.290 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.838 0.342 8.474 1.00 0.00 O ATOM 0 H ASP A 37 -4.934 0.738 10.467 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.732 3.530 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.560 2.862 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.803 2.048 10.361 1.00 0.00 H new ATOM 595 N GLU A 38 -6.151 1.597 7.662 1.00 0.00 N ATOM 596 CA GLU A 38 -6.746 1.467 6.303 1.00 0.00 C ATOM 597 C GLU A 38 -7.420 2.788 5.914 1.00 0.00 C ATOM 598 O GLU A 38 -7.465 3.162 4.756 1.00 0.00 O ATOM 599 CB GLU A 38 -7.788 0.344 6.317 1.00 0.00 C ATOM 600 CG GLU A 38 -8.367 0.160 4.911 1.00 0.00 C ATOM 601 CD GLU A 38 -9.369 -0.997 4.909 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.744 -1.435 5.985 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.745 -1.425 3.832 1.00 0.00 O ATOM 0 H GLU A 38 -6.562 0.989 8.371 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.965 1.233 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.331 -0.585 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.585 0.583 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.857 1.078 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.565 -0.041 4.201 1.00 0.00 H new ATOM 610 N GLY A 39 -7.950 3.495 6.876 1.00 0.00 N ATOM 611 CA GLY A 39 -8.628 4.790 6.575 1.00 0.00 C ATOM 612 C GLY A 39 -7.596 5.919 6.525 1.00 0.00 C ATOM 613 O GLY A 39 -7.898 7.035 6.142 1.00 0.00 O ATOM 0 H GLY A 39 -7.943 3.231 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.153 4.723 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.377 5.004 7.337 1.00 0.00 H new ATOM 617 N LYS A 40 -6.377 5.639 6.910 1.00 0.00 N ATOM 618 CA LYS A 40 -5.310 6.689 6.892 1.00 0.00 C ATOM 619 C LYS A 40 -4.392 6.464 5.686 1.00 0.00 C ATOM 620 O LYS A 40 -3.309 7.013 5.601 1.00 0.00 O ATOM 621 CB LYS A 40 -4.490 6.599 8.180 1.00 0.00 C ATOM 622 CG LYS A 40 -5.368 7.000 9.373 1.00 0.00 C ATOM 623 CD LYS A 40 -4.506 7.184 10.630 1.00 0.00 C ATOM 624 CE LYS A 40 -4.112 5.822 11.208 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.339 5.016 11.464 1.00 0.00 N ATOM 0 H LYS A 40 -6.072 4.723 7.238 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.769 7.675 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.115 5.584 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.621 7.254 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.898 7.926 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.124 6.235 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.611 7.755 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.056 7.758 11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.457 5.296 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.553 5.956 12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.086 4.158 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.015 5.579 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.773 4.748 10.558 1.00 0.00 H new ATOM 639 N LEU A 41 -4.818 5.651 4.757 1.00 0.00 N ATOM 640 CA LEU A 41 -3.978 5.374 3.557 1.00 0.00 C ATOM 641 C LEU A 41 -3.933 6.603 2.654 1.00 0.00 C ATOM 642 O LEU A 41 -4.844 7.411 2.632 1.00 0.00 O ATOM 643 CB LEU A 41 -4.564 4.190 2.786 1.00 0.00 C ATOM 644 CG LEU A 41 -4.534 2.938 3.674 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.226 1.781 2.946 1.00 0.00 C ATOM 646 CD2 LEU A 41 -3.078 2.552 4.001 1.00 0.00 C ATOM 0 H LEU A 41 -5.715 5.165 4.778 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.965 5.134 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.588 4.410 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.992 4.017 1.874 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.058 3.149 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.206 0.891 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.260 2.052 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.705 1.576 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.070 1.663 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.540 2.346 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.593 3.374 4.527 1.00 0.00 H new ATOM 658 N VAL A 42 -2.857 6.752 1.915 1.00 0.00 N ATOM 659 CA VAL A 42 -2.703 7.930 1.010 1.00 0.00 C ATOM 660 C VAL A 42 -2.541 7.455 -0.436 1.00 0.00 C ATOM 661 O VAL A 42 -1.792 6.539 -0.731 1.00 0.00 O ATOM 662 CB VAL A 42 -1.471 8.732 1.439 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.219 7.849 1.387 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.296 9.932 0.509 1.00 0.00 C ATOM 0 H VAL A 42 -2.073 6.099 1.903 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.589 8.562 1.074 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.612 9.081 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.650 8.431 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.344 7.001 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.071 7.486 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.419 10.504 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.164 9.583 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.180 10.567 0.564 1.00 0.00 H new ATOM 674 N LYS A 43 -3.268 8.066 -1.340 1.00 0.00 N ATOM 675 CA LYS A 43 -3.198 7.663 -2.776 1.00 0.00 C ATOM 676 C LYS A 43 -2.321 8.631 -3.578 1.00 0.00 C ATOM 677 O LYS A 43 -2.487 9.838 -3.535 1.00 0.00 O ATOM 678 CB LYS A 43 -4.606 7.653 -3.373 1.00 0.00 C ATOM 679 CG LYS A 43 -4.536 7.162 -4.825 1.00 0.00 C ATOM 680 CD LYS A 43 -5.944 7.079 -5.416 1.00 0.00 C ATOM 681 CE LYS A 43 -5.856 6.585 -6.861 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.352 5.183 -6.878 1.00 0.00 N ATOM 0 H LYS A 43 -3.911 8.832 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.758 6.667 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.257 7.003 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.037 8.654 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.923 7.841 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.058 6.183 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.560 6.402 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.424 8.057 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.837 6.636 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.191 7.229 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.662 4.713 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.313 5.187 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.729 4.669 -6.057 1.00 0.00 H new ATOM 696 N GLY A 44 -1.407 8.084 -4.342 1.00 0.00 N ATOM 697 CA GLY A 44 -0.516 8.916 -5.200 1.00 0.00 C ATOM 698 C GLY A 44 0.773 9.272 -4.459 1.00 0.00 C ATOM 699 O GLY A 44 1.752 9.675 -5.060 1.00 0.00 O ATOM 0 H GLY A 44 -1.241 7.080 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.277 8.375 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.035 9.828 -5.495 1.00 0.00 H new ATOM 703 N SER A 45 0.783 9.154 -3.157 1.00 0.00 N ATOM 704 CA SER A 45 2.011 9.520 -2.384 1.00 0.00 C ATOM 705 C SER A 45 2.907 8.306 -2.132 1.00 0.00 C ATOM 706 O SER A 45 2.645 7.203 -2.579 1.00 0.00 O ATOM 707 CB SER A 45 1.603 10.121 -1.044 1.00 0.00 C ATOM 708 OG SER A 45 0.579 11.083 -1.259 1.00 0.00 O ATOM 0 H SER A 45 -0.001 8.822 -2.596 1.00 0.00 H new ATOM 0 HA SER A 45 2.574 10.242 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.249 9.338 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.463 10.588 -0.564 1.00 0.00 H new ATOM 0 HG SER A 45 0.729 11.857 -0.677 1.00 0.00 H new ATOM 714 N MET A 46 3.978 8.529 -1.412 1.00 0.00 N ATOM 715 CA MET A 46 4.936 7.435 -1.104 1.00 0.00 C ATOM 716 C MET A 46 4.378 6.534 -0.008 1.00 0.00 C ATOM 717 O MET A 46 3.780 6.988 0.952 1.00 0.00 O ATOM 718 CB MET A 46 6.257 8.042 -0.630 1.00 0.00 C ATOM 719 CG MET A 46 6.941 8.750 -1.799 1.00 0.00 C ATOM 720 SD MET A 46 8.501 9.475 -1.236 1.00 0.00 S ATOM 721 CE MET A 46 8.854 10.446 -2.722 1.00 0.00 C ATOM 0 H MET A 46 4.228 9.437 -1.021 1.00 0.00 H new ATOM 0 HA MET A 46 5.097 6.841 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.075 8.748 0.180 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.906 7.262 -0.233 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.127 8.043 -2.608 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.290 9.527 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.792 10.985 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.936 9.780 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.047 11.159 -2.891 1.00 0.00 H new ATOM 731 N VAL A 47 4.587 5.248 -0.148 1.00 0.00 N ATOM 732 CA VAL A 47 4.096 4.274 0.868 1.00 0.00 C ATOM 733 C VAL A 47 5.261 3.393 1.310 1.00 0.00 C ATOM 734 O VAL A 47 6.000 2.863 0.500 1.00 0.00 O ATOM 735 CB VAL A 47 2.992 3.409 0.259 1.00 0.00 C ATOM 736 CG1 VAL A 47 1.724 4.247 0.103 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.431 2.891 -1.116 1.00 0.00 C ATOM 0 H VAL A 47 5.084 4.829 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 47 3.692 4.807 1.729 1.00 0.00 H new ATOM 0 HB VAL A 47 2.797 2.561 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.934 3.634 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.406 4.611 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.926 5.095 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.639 2.276 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.630 3.735 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.336 2.293 -1.008 1.00 0.00 H new ATOM 747 N HIS A 48 5.439 3.244 2.597 1.00 0.00 N ATOM 748 CA HIS A 48 6.562 2.411 3.108 1.00 0.00 C ATOM 749 C HIS A 48 6.099 0.965 3.271 1.00 0.00 C ATOM 750 O HIS A 48 5.106 0.683 3.917 1.00 0.00 O ATOM 751 CB HIS A 48 7.027 2.959 4.459 1.00 0.00 C ATOM 752 CG HIS A 48 8.057 2.029 5.045 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.330 1.914 4.514 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.012 1.161 6.108 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.995 1.005 5.249 1.00 0.00 C ATOM 756 NE2 HIS A 48 9.238 0.515 6.235 1.00 0.00 N ATOM 0 H HIS A 48 4.852 3.666 3.316 1.00 0.00 H new ATOM 0 HA HIS A 48 7.389 2.443 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.450 3.956 4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.179 3.055 5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.156 1.004 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.017 0.707 5.065 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.502 -0.182 6.931 1.00 0.00 H new ATOM 764 N PHE A 49 6.822 0.046 2.688 1.00 0.00 N ATOM 765 CA PHE A 49 6.447 -1.390 2.797 1.00 0.00 C ATOM 766 C PHE A 49 7.711 -2.240 2.913 1.00 0.00 C ATOM 767 O PHE A 49 8.769 -1.873 2.435 1.00 0.00 O ATOM 768 CB PHE A 49 5.668 -1.816 1.551 1.00 0.00 C ATOM 769 CG PHE A 49 6.545 -1.696 0.325 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.589 -0.493 -0.392 1.00 0.00 C ATOM 771 CD2 PHE A 49 7.306 -2.792 -0.106 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.390 -0.386 -1.536 1.00 0.00 C ATOM 773 CE2 PHE A 49 8.109 -2.683 -1.249 1.00 0.00 C ATOM 774 CZ PHE A 49 8.150 -1.480 -1.964 1.00 0.00 C ATOM 0 H PHE A 49 7.661 0.232 2.138 1.00 0.00 H new ATOM 0 HA PHE A 49 5.826 -1.532 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.323 -2.844 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.781 -1.193 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.004 0.353 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.273 -3.721 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.421 0.542 -2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.696 -3.527 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.768 -1.396 -2.846 1.00 0.00 H new ATOM 784 N ASP A 50 7.599 -3.382 3.544 1.00 0.00 N ATOM 785 CA ASP A 50 8.774 -4.288 3.702 1.00 0.00 C ATOM 786 C ASP A 50 8.641 -5.435 2.690 1.00 0.00 C ATOM 787 O ASP A 50 7.549 -5.789 2.296 1.00 0.00 O ATOM 788 CB ASP A 50 8.779 -4.858 5.129 1.00 0.00 C ATOM 789 CG ASP A 50 9.424 -3.853 6.087 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.723 -2.966 6.543 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.608 -3.991 6.350 1.00 0.00 O ATOM 0 H ASP A 50 6.734 -3.727 3.960 1.00 0.00 H new ATOM 0 HA ASP A 50 9.702 -3.744 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.759 -5.075 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.327 -5.800 5.152 1.00 0.00 H new ATOM 796 N PRO A 51 9.738 -6.011 2.272 1.00 0.00 N ATOM 797 CA PRO A 51 9.725 -7.135 1.289 1.00 0.00 C ATOM 798 C PRO A 51 8.990 -8.370 1.827 1.00 0.00 C ATOM 799 O PRO A 51 9.060 -8.697 2.997 1.00 0.00 O ATOM 800 CB PRO A 51 11.218 -7.434 1.044 1.00 0.00 C ATOM 801 CG PRO A 51 11.934 -6.865 2.228 1.00 0.00 C ATOM 802 CD PRO A 51 11.107 -5.665 2.683 1.00 0.00 C ATOM 0 HA PRO A 51 9.191 -6.871 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.395 -8.506 0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.564 -6.976 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.020 -7.604 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.947 -6.563 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.176 -5.516 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.446 -4.743 2.211 1.00 0.00 H new ATOM 810 N THR A 52 8.286 -9.059 0.967 1.00 0.00 N ATOM 811 CA THR A 52 7.547 -10.274 1.404 1.00 0.00 C ATOM 812 C THR A 52 7.405 -11.237 0.212 1.00 0.00 C ATOM 813 O THR A 52 6.429 -11.191 -0.508 1.00 0.00 O ATOM 814 CB THR A 52 6.155 -9.872 1.904 1.00 0.00 C ATOM 815 OG1 THR A 52 6.261 -8.687 2.679 1.00 0.00 O ATOM 816 CG2 THR A 52 5.575 -10.999 2.766 1.00 0.00 C ATOM 0 H THR A 52 8.193 -8.829 -0.022 1.00 0.00 H new ATOM 0 HA THR A 52 8.093 -10.766 2.209 1.00 0.00 H new ATOM 0 HB THR A 52 5.497 -9.695 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.161 -7.905 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.585 -10.713 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.498 -11.909 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.229 -11.178 3.619 1.00 0.00 H new ATOM 895 N LEU A 58 5.064 -11.652 -5.747 1.00 0.00 N ATOM 896 CA LEU A 58 5.306 -10.298 -5.160 1.00 0.00 C ATOM 897 C LEU A 58 4.178 -9.940 -4.190 1.00 0.00 C ATOM 898 O LEU A 58 3.007 -10.054 -4.504 1.00 0.00 O ATOM 899 CB LEU A 58 5.353 -9.259 -6.282 1.00 0.00 C ATOM 900 CG LEU A 58 6.395 -9.671 -7.330 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.407 -8.645 -8.470 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.790 -9.741 -6.686 1.00 0.00 C ATOM 0 HA LEU A 58 6.254 -10.306 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.372 -9.169 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.603 -8.280 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 58 6.136 -10.653 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.147 -8.937 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.421 -8.605 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.661 -7.662 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.523 -10.034 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.054 -8.763 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.782 -10.475 -5.880 1.00 0.00 H new ATOM 914 N ALA A 59 4.528 -9.498 -3.013 1.00 0.00 N ATOM 915 CA ALA A 59 3.489 -9.120 -2.015 1.00 0.00 C ATOM 916 C ALA A 59 4.080 -8.113 -1.032 1.00 0.00 C ATOM 917 O ALA A 59 5.277 -8.074 -0.804 1.00 0.00 O ATOM 918 CB ALA A 59 3.021 -10.360 -1.255 1.00 0.00 C ATOM 0 H ALA A 59 5.492 -9.382 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 59 2.637 -8.676 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.261 -10.075 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.599 -11.079 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.868 -10.811 -0.738 1.00 0.00 H new ATOM 924 N ALA A 60 3.242 -7.290 -0.451 1.00 0.00 N ATOM 925 CA ALA A 60 3.726 -6.263 0.519 1.00 0.00 C ATOM 926 C ALA A 60 3.279 -6.628 1.933 1.00 0.00 C ATOM 927 O ALA A 60 2.156 -7.047 2.159 1.00 0.00 O ATOM 928 CB ALA A 60 3.138 -4.903 0.140 1.00 0.00 C ATOM 0 H ALA A 60 2.234 -7.287 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 60 4.815 -6.222 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.487 -4.147 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.458 -4.636 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.050 -4.955 0.173 1.00 0.00 H new ATOM 934 N LYS A 61 4.158 -6.459 2.890 1.00 0.00 N ATOM 935 CA LYS A 61 3.817 -6.780 4.307 1.00 0.00 C ATOM 936 C LYS A 61 4.257 -5.626 5.208 1.00 0.00 C ATOM 937 O LYS A 61 5.320 -5.056 5.038 1.00 0.00 O ATOM 938 CB LYS A 61 4.534 -8.060 4.737 1.00 0.00 C ATOM 939 CG LYS A 61 4.032 -8.470 6.123 1.00 0.00 C ATOM 940 CD LYS A 61 4.663 -9.804 6.530 1.00 0.00 C ATOM 941 CE LYS A 61 4.137 -10.214 7.908 1.00 0.00 C ATOM 942 NZ LYS A 61 4.718 -11.531 8.291 1.00 0.00 N ATOM 0 H LYS A 61 5.105 -6.109 2.747 1.00 0.00 H new ATOM 0 HA LYS A 61 2.740 -6.925 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.346 -8.857 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.612 -7.899 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.283 -7.701 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.946 -8.559 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.424 -10.572 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.749 -9.713 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.401 -9.459 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.049 -10.276 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.360 -11.809 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.445 -12.248 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.755 -11.456 8.325 1.00 0.00 H new ATOM 956 N ALA A 62 3.433 -5.283 6.163 1.00 0.00 N ATOM 957 CA ALA A 62 3.761 -4.169 7.099 1.00 0.00 C ATOM 958 C ALA A 62 3.793 -2.844 6.333 1.00 0.00 C ATOM 959 O ALA A 62 4.801 -2.166 6.271 1.00 0.00 O ATOM 960 CB ALA A 62 5.111 -4.427 7.773 1.00 0.00 C ATOM 0 H ALA A 62 2.535 -5.734 6.336 1.00 0.00 H new ATOM 0 HA ALA A 62 2.994 -4.113 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.340 -3.607 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.066 -5.362 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.890 -4.496 7.013 1.00 0.00 H new ATOM 966 N ILE A 63 2.682 -2.470 5.750 1.00 0.00 N ATOM 967 CA ILE A 63 2.620 -1.193 4.984 1.00 0.00 C ATOM 968 C ILE A 63 2.275 -0.046 5.931 1.00 0.00 C ATOM 969 O ILE A 63 1.369 -0.140 6.739 1.00 0.00 O ATOM 970 CB ILE A 63 1.549 -1.292 3.900 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.952 -2.372 2.893 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.421 0.055 3.180 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.779 -2.675 1.958 1.00 0.00 C ATOM 0 H ILE A 63 1.811 -3.000 5.773 1.00 0.00 H new ATOM 0 HA ILE A 63 3.589 -1.007 4.520 1.00 0.00 H new ATOM 0 HB ILE A 63 0.592 -1.551 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.813 -2.039 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.253 -3.278 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.656 -0.017 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.140 0.826 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.376 0.315 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.072 -3.444 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.071 -3.028 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.499 -1.769 1.421 1.00 0.00 H new ATOM 985 N SER A 64 2.997 1.042 5.839 1.00 0.00 N ATOM 986 CA SER A 64 2.722 2.204 6.733 1.00 0.00 C ATOM 987 C SER A 64 2.834 3.500 5.944 1.00 0.00 C ATOM 988 O SER A 64 3.533 3.589 4.951 1.00 0.00 O ATOM 989 CB SER A 64 3.730 2.215 7.880 1.00 0.00 C ATOM 990 OG SER A 64 5.041 2.066 7.355 1.00 0.00 O ATOM 0 H SER A 64 3.766 1.174 5.182 1.00 0.00 H new ATOM 0 HA SER A 64 1.713 2.116 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.653 3.148 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.512 1.407 8.579 1.00 0.00 H new ATOM 0 HG SER A 64 5.690 2.074 8.089 1.00 0.00 H new ATOM 996 N LEU A 65 2.131 4.508 6.381 1.00 0.00 N ATOM 997 CA LEU A 65 2.162 5.810 5.668 1.00 0.00 C ATOM 998 C LEU A 65 3.331 6.663 6.205 1.00 0.00 C ATOM 999 O LEU A 65 3.529 6.753 7.400 1.00 0.00 O ATOM 1000 CB LEU A 65 0.833 6.550 5.910 1.00 0.00 C ATOM 1001 CG LEU A 65 0.304 6.244 7.329 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.490 7.445 7.860 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.617 5.011 7.292 1.00 0.00 C ATOM 0 H LEU A 65 1.533 4.483 7.207 1.00 0.00 H new ATOM 0 HA LEU A 65 2.299 5.641 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.979 7.624 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.097 6.245 5.166 1.00 0.00 H new ATOM 0 HG LEU A 65 1.153 6.047 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.860 7.223 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.158 8.321 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.332 7.646 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.986 4.802 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.460 5.206 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.058 4.150 6.924 1.00 0.00 H new ATOM 1015 N PRO A 66 4.083 7.299 5.340 1.00 0.00 N ATOM 1016 CA PRO A 66 5.224 8.163 5.758 1.00 0.00 C ATOM 1017 C PRO A 66 4.734 9.497 6.341 1.00 0.00 C ATOM 1018 O PRO A 66 5.507 10.302 6.829 1.00 0.00 O ATOM 1019 CB PRO A 66 6.007 8.381 4.453 1.00 0.00 C ATOM 1020 CG PRO A 66 4.996 8.235 3.356 1.00 0.00 C ATOM 1021 CD PRO A 66 3.934 7.262 3.873 1.00 0.00 C ATOM 0 HA PRO A 66 5.828 7.711 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.470 9.368 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.809 7.650 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.551 9.199 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.462 7.854 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.933 7.568 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.093 6.257 3.483 1.00 0.00 H new