USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -0.317 X(o=-0.62,f=-1) USER MOD Set 1.2: A 92 SER OG : rot 137:sc= 0.704 USER MOD Set 1.3: A 94 SER OG : rot 140:sc= -1.01 USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 MET CE :methyl -150:sc= -2 (180deg=-3.71!) USER MOD Single : A 38 SER OG : rot 36:sc= 0.224 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 41:sc= 0.387 USER MOD Single : A 44 GLN : amide:sc= -3.93 K(o=-3.9,f=-9.7!) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.287 (180deg=-0.561) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -1.6 (180deg=-1.73) USER MOD Single : A 52 MET CE :methyl -175:sc= -4.62! (180deg=-4.84) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.171 (180deg=-1.08) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.546 (180deg=0.435) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.484 (180deg=-0.774) USER MOD Single : A 71 GLN : amide:sc= -3.37! K(o=-3.4!,f=-4.2) USER MOD Single : A 73 MET CE :methyl 153:sc= -1.53 (180deg=-2.99!) USER MOD Single : A 74 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -128:sc= 0.0202 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -50:sc= 0.469 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 32:sc= 0.349 USER MOD Single : A 128 SER OG : rot 12:sc= 0.974 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0305 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 26.851 9.173 21.454 1.00 0.00 N ATOM 2 CA GLY A 37 26.003 9.877 20.511 1.00 0.00 C ATOM 3 C GLY A 37 24.544 9.484 20.637 1.00 0.00 C ATOM 4 O GLY A 37 24.224 8.431 21.189 1.00 0.00 O ATOM 0 HA2 GLY A 37 26.102 10.951 20.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 26.345 9.672 19.497 1.00 0.00 H new ATOM 8 N SER A 38 23.658 10.332 20.127 1.00 0.00 N ATOM 9 CA SER A 38 22.224 10.070 20.190 1.00 0.00 C ATOM 10 C SER A 38 21.616 10.036 18.792 1.00 0.00 C ATOM 11 O SER A 38 21.670 11.021 18.055 1.00 0.00 O ATOM 12 CB SER A 38 21.527 11.137 21.037 1.00 0.00 C ATOM 13 OG SER A 38 21.833 12.439 20.570 1.00 0.00 O ATOM 0 H SER A 38 23.907 11.207 19.665 1.00 0.00 H new ATOM 0 HA SER A 38 22.077 9.095 20.654 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.449 10.981 21.008 1.00 0.00 H new ATOM 0 HB3 SER A 38 21.836 11.039 22.078 1.00 0.00 H new ATOM 0 HG SER A 38 21.904 12.428 19.593 1.00 0.00 H new ATOM 19 N SER A 39 21.036 8.895 18.433 1.00 0.00 N ATOM 20 CA SER A 39 20.421 8.730 17.121 1.00 0.00 C ATOM 21 C SER A 39 19.058 9.414 17.071 1.00 0.00 C ATOM 22 O SER A 39 18.350 9.488 18.075 1.00 0.00 O ATOM 23 CB SER A 39 20.270 7.244 16.789 1.00 0.00 C ATOM 24 OG SER A 39 21.470 6.719 16.247 1.00 0.00 O ATOM 0 H SER A 39 20.979 8.071 19.032 1.00 0.00 H new ATOM 0 HA SER A 39 21.071 9.197 16.381 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.002 6.692 17.690 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.456 7.108 16.078 1.00 0.00 H new ATOM 0 HG SER A 39 21.349 5.768 16.045 1.00 0.00 H new ATOM 30 N GLY A 40 18.697 9.914 15.893 1.00 0.00 N ATOM 31 CA GLY A 40 17.421 10.587 15.732 1.00 0.00 C ATOM 32 C GLY A 40 16.252 9.621 15.735 1.00 0.00 C ATOM 33 O GLY A 40 15.728 9.267 14.679 1.00 0.00 O ATOM 0 H GLY A 40 19.265 9.865 15.047 1.00 0.00 H new ATOM 0 HA2 GLY A 40 17.292 11.312 16.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 17.424 11.146 14.796 1.00 0.00 H new ATOM 37 N SER A 41 15.844 9.193 16.925 1.00 0.00 N ATOM 38 CA SER A 41 14.733 8.258 17.061 1.00 0.00 C ATOM 39 C SER A 41 13.559 8.677 16.182 1.00 0.00 C ATOM 40 O SER A 41 13.139 7.936 15.293 1.00 0.00 O ATOM 41 CB SER A 41 14.286 8.173 18.522 1.00 0.00 C ATOM 42 OG SER A 41 13.117 7.383 18.652 1.00 0.00 O ATOM 0 H SER A 41 16.266 9.478 17.809 1.00 0.00 H new ATOM 0 HA SER A 41 15.076 7.276 16.735 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.086 7.746 19.126 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.096 9.175 18.906 1.00 0.00 H new ATOM 0 HG SER A 41 12.853 7.343 19.595 1.00 0.00 H new ATOM 48 N SER A 42 13.034 9.871 16.436 1.00 0.00 N ATOM 49 CA SER A 42 11.906 10.389 15.671 1.00 0.00 C ATOM 50 C SER A 42 12.387 11.278 14.528 1.00 0.00 C ATOM 51 O SER A 42 12.981 12.331 14.754 1.00 0.00 O ATOM 52 CB SER A 42 10.963 11.177 16.583 1.00 0.00 C ATOM 53 OG SER A 42 11.655 12.210 17.262 1.00 0.00 O ATOM 0 H SER A 42 13.372 10.498 17.166 1.00 0.00 H new ATOM 0 HA SER A 42 11.367 9.542 15.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.154 11.605 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.506 10.503 17.308 1.00 0.00 H new ATOM 0 HG SER A 42 12.284 12.642 16.647 1.00 0.00 H new ATOM 59 N GLY A 43 12.125 10.844 13.299 1.00 0.00 N ATOM 60 CA GLY A 43 12.538 11.611 12.138 1.00 0.00 C ATOM 61 C GLY A 43 12.801 10.736 10.929 1.00 0.00 C ATOM 62 O GLY A 43 12.400 11.070 9.814 1.00 0.00 O ATOM 0 H GLY A 43 11.634 9.975 13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.765 12.340 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.440 12.172 12.380 1.00 0.00 H new ATOM 66 N GLN A 44 13.478 9.613 11.148 1.00 0.00 N ATOM 67 CA GLN A 44 13.796 8.689 10.066 1.00 0.00 C ATOM 68 C GLN A 44 12.677 8.659 9.030 1.00 0.00 C ATOM 69 O GLN A 44 12.931 8.630 7.826 1.00 0.00 O ATOM 70 CB GLN A 44 14.033 7.284 10.620 1.00 0.00 C ATOM 71 CG GLN A 44 12.805 6.674 11.277 1.00 0.00 C ATOM 72 CD GLN A 44 11.932 5.919 10.295 1.00 0.00 C ATOM 73 OE1 GLN A 44 10.743 6.207 10.155 1.00 0.00 O ATOM 74 NE2 GLN A 44 12.518 4.945 9.608 1.00 0.00 N ATOM 0 H GLN A 44 13.817 9.321 12.065 1.00 0.00 H new ATOM 0 HA GLN A 44 14.707 9.038 9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.362 6.634 9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.844 7.321 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.121 5.997 12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.218 7.464 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.506 4.740 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.980 4.402 8.933 1.00 0.00 H new ATOM 83 N LYS A 45 11.437 8.664 9.506 1.00 0.00 N ATOM 84 CA LYS A 45 10.277 8.638 8.623 1.00 0.00 C ATOM 85 C LYS A 45 10.553 9.415 7.340 1.00 0.00 C ATOM 86 O LYS A 45 10.299 8.926 6.239 1.00 0.00 O ATOM 87 CB LYS A 45 9.055 9.223 9.334 1.00 0.00 C ATOM 88 CG LYS A 45 8.550 8.366 10.481 1.00 0.00 C ATOM 89 CD LYS A 45 7.812 9.199 11.516 1.00 0.00 C ATOM 90 CE LYS A 45 6.731 8.389 12.215 1.00 0.00 C ATOM 91 NZ LYS A 45 5.493 8.289 11.392 1.00 0.00 N ATOM 0 H LYS A 45 11.209 8.686 10.500 1.00 0.00 H new ATOM 0 HA LYS A 45 10.074 7.599 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.306 10.213 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.252 9.355 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.886 7.593 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.390 7.857 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.520 9.576 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.363 10.067 11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.107 7.388 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.494 8.851 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.666 8.515 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.548 8.960 10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.400 7.322 11.021 1.00 0.00 H new ATOM 105 N VAL A 46 11.076 10.628 7.489 1.00 0.00 N ATOM 106 CA VAL A 46 11.390 11.472 6.342 1.00 0.00 C ATOM 107 C VAL A 46 11.867 10.636 5.159 1.00 0.00 C ATOM 108 O VAL A 46 11.196 10.559 4.130 1.00 0.00 O ATOM 109 CB VAL A 46 12.469 12.514 6.689 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.894 13.278 5.445 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.964 13.465 7.763 1.00 0.00 C ATOM 0 H VAL A 46 11.291 11.048 8.393 1.00 0.00 H new ATOM 0 HA VAL A 46 10.471 11.990 6.070 1.00 0.00 H new ATOM 0 HB VAL A 46 13.342 11.991 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.657 14.010 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.299 12.581 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.031 13.791 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.739 14.195 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.075 13.982 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.715 12.900 8.661 1.00 0.00 H new ATOM 121 N GLU A 47 13.031 10.012 5.314 1.00 0.00 N ATOM 122 CA GLU A 47 13.598 9.182 4.258 1.00 0.00 C ATOM 123 C GLU A 47 12.538 8.260 3.662 1.00 0.00 C ATOM 124 O GLU A 47 12.304 8.263 2.453 1.00 0.00 O ATOM 125 CB GLU A 47 14.764 8.353 4.801 1.00 0.00 C ATOM 126 CG GLU A 47 15.967 9.188 5.205 1.00 0.00 C ATOM 127 CD GLU A 47 15.881 9.680 6.637 1.00 0.00 C ATOM 128 OE1 GLU A 47 15.173 10.681 6.878 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.521 9.066 7.516 1.00 0.00 O ATOM 0 H GLU A 47 13.599 10.066 6.160 1.00 0.00 H new ATOM 0 HA GLU A 47 13.965 9.841 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.422 7.782 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.070 7.632 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.874 8.596 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.052 10.044 4.535 1.00 0.00 H new ATOM 136 N PHE A 48 11.900 7.470 4.520 1.00 0.00 N ATOM 137 CA PHE A 48 10.866 6.540 4.079 1.00 0.00 C ATOM 138 C PHE A 48 9.812 7.257 3.242 1.00 0.00 C ATOM 139 O PHE A 48 9.605 6.932 2.072 1.00 0.00 O ATOM 140 CB PHE A 48 10.206 5.869 5.286 1.00 0.00 C ATOM 141 CG PHE A 48 9.183 4.836 4.911 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.563 3.659 4.287 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.840 5.041 5.185 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.623 2.707 3.940 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.895 4.093 4.841 1.00 0.00 C ATOM 146 CZ PHE A 48 7.288 2.924 4.219 1.00 0.00 C ATOM 0 H PHE A 48 12.081 7.455 5.524 1.00 0.00 H new ATOM 0 HA PHE A 48 11.338 5.776 3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.977 5.400 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.731 6.633 5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.606 3.483 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.528 5.952 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.932 1.795 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.851 4.266 5.058 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.552 2.180 3.951 1.00 0.00 H new ATOM 156 N ARG A 49 9.146 8.235 3.849 1.00 0.00 N ATOM 157 CA ARG A 49 8.111 8.997 3.161 1.00 0.00 C ATOM 158 C ARG A 49 8.526 9.302 1.724 1.00 0.00 C ATOM 159 O ARG A 49 7.756 9.092 0.786 1.00 0.00 O ATOM 160 CB ARG A 49 7.826 10.300 3.909 1.00 0.00 C ATOM 161 CG ARG A 49 6.473 10.909 3.577 1.00 0.00 C ATOM 162 CD ARG A 49 5.975 11.806 4.700 1.00 0.00 C ATOM 163 NE ARG A 49 4.924 12.714 4.250 1.00 0.00 N ATOM 164 CZ ARG A 49 5.163 13.867 3.634 1.00 0.00 C ATOM 165 NH1 ARG A 49 6.410 14.249 3.396 1.00 0.00 N ATOM 166 NH2 ARG A 49 4.154 14.639 3.255 1.00 0.00 N ATOM 0 H ARG A 49 9.305 8.518 4.816 1.00 0.00 H new ATOM 0 HA ARG A 49 7.204 8.393 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.877 10.112 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.608 11.022 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.549 11.486 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.749 10.114 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.597 11.190 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.808 12.385 5.098 1.00 0.00 H new ATOM 0 HE ARG A 49 3.953 12.449 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.189 13.657 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.591 15.134 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.193 14.348 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.338 15.524 2.782 1.00 0.00 H new ATOM 180 N LYS A 50 9.746 9.801 1.560 1.00 0.00 N ATOM 181 CA LYS A 50 10.265 10.135 0.238 1.00 0.00 C ATOM 182 C LYS A 50 10.192 8.931 -0.695 1.00 0.00 C ATOM 183 O LYS A 50 9.618 9.011 -1.782 1.00 0.00 O ATOM 184 CB LYS A 50 11.711 10.625 0.344 1.00 0.00 C ATOM 185 CG LYS A 50 11.875 11.851 1.226 1.00 0.00 C ATOM 186 CD LYS A 50 13.087 12.671 0.820 1.00 0.00 C ATOM 187 CE LYS A 50 14.384 11.982 1.216 1.00 0.00 C ATOM 188 NZ LYS A 50 14.681 12.148 2.666 1.00 0.00 N ATOM 0 H LYS A 50 10.395 9.983 2.326 1.00 0.00 H new ATOM 0 HA LYS A 50 9.648 10.932 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.331 9.819 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.082 10.854 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.979 12.468 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.976 11.541 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.074 12.832 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.037 13.653 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.318 10.920 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.206 12.390 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.555 11.636 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.803 13.158 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.893 11.766 3.228 1.00 0.00 H new ATOM 202 N ARG A 51 10.775 7.818 -0.264 1.00 0.00 N ATOM 203 CA ARG A 51 10.775 6.598 -1.062 1.00 0.00 C ATOM 204 C ARG A 51 9.370 6.272 -1.558 1.00 0.00 C ATOM 205 O ARG A 51 9.157 6.049 -2.750 1.00 0.00 O ATOM 206 CB ARG A 51 11.323 5.427 -0.243 1.00 0.00 C ATOM 207 CG ARG A 51 11.942 4.328 -1.090 1.00 0.00 C ATOM 208 CD ARG A 51 11.831 2.972 -0.411 1.00 0.00 C ATOM 209 NE ARG A 51 12.546 1.931 -1.145 1.00 0.00 N ATOM 210 CZ ARG A 51 12.269 0.636 -1.042 1.00 0.00 C ATOM 211 NH1 ARG A 51 11.297 0.225 -0.239 1.00 0.00 N ATOM 212 NH2 ARG A 51 12.965 -0.250 -1.742 1.00 0.00 N ATOM 0 H ARG A 51 11.253 7.736 0.633 1.00 0.00 H new ATOM 0 HA ARG A 51 11.418 6.760 -1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.072 5.802 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.516 5.003 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.446 4.292 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.991 4.558 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.229 3.040 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.780 2.696 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 51 13.300 2.214 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.760 0.904 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.086 -0.770 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.714 0.063 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.752 -1.244 -1.662 1.00 0.00 H new ATOM 226 N MET A 52 8.414 6.245 -0.635 1.00 0.00 N ATOM 227 CA MET A 52 7.028 5.947 -0.979 1.00 0.00 C ATOM 228 C MET A 52 6.548 6.837 -2.122 1.00 0.00 C ATOM 229 O MET A 52 5.936 6.359 -3.076 1.00 0.00 O ATOM 230 CB MET A 52 6.125 6.134 0.242 1.00 0.00 C ATOM 231 CG MET A 52 6.176 4.970 1.218 1.00 0.00 C ATOM 232 SD MET A 52 7.802 4.762 1.969 1.00 0.00 S ATOM 233 CE MET A 52 8.538 3.568 0.856 1.00 0.00 C ATOM 0 H MET A 52 8.573 6.426 0.356 1.00 0.00 H new ATOM 0 HA MET A 52 6.976 4.908 -1.304 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.415 7.047 0.762 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.097 6.271 -0.094 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.435 5.126 2.002 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.901 4.053 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.515 3.269 1.237 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.893 2.692 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.655 4.015 -0.131 1.00 0.00 H new ATOM 243 N GLU A 53 6.830 8.132 -2.016 1.00 0.00 N ATOM 244 CA GLU A 53 6.425 9.087 -3.041 1.00 0.00 C ATOM 245 C GLU A 53 6.956 8.673 -4.410 1.00 0.00 C ATOM 246 O GLU A 53 6.252 8.769 -5.416 1.00 0.00 O ATOM 247 CB GLU A 53 6.928 10.489 -2.690 1.00 0.00 C ATOM 248 CG GLU A 53 6.382 11.019 -1.374 1.00 0.00 C ATOM 249 CD GLU A 53 6.252 12.530 -1.363 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.242 13.213 -1.700 1.00 0.00 O ATOM 251 OE2 GLU A 53 5.161 13.029 -1.019 1.00 0.00 O ATOM 0 H GLU A 53 7.336 8.543 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 53 5.336 9.098 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.017 10.474 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.653 11.176 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.406 10.573 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.038 10.709 -0.561 1.00 0.00 H new ATOM 258 N LYS A 54 8.202 8.213 -4.441 1.00 0.00 N ATOM 259 CA LYS A 54 8.828 7.784 -5.686 1.00 0.00 C ATOM 260 C LYS A 54 8.227 6.469 -6.173 1.00 0.00 C ATOM 261 O LYS A 54 7.831 6.350 -7.332 1.00 0.00 O ATOM 262 CB LYS A 54 10.338 7.625 -5.492 1.00 0.00 C ATOM 263 CG LYS A 54 11.092 7.358 -6.783 1.00 0.00 C ATOM 264 CD LYS A 54 11.372 8.645 -7.541 1.00 0.00 C ATOM 265 CE LYS A 54 12.703 9.256 -7.129 1.00 0.00 C ATOM 266 NZ LYS A 54 12.566 10.122 -5.925 1.00 0.00 N ATOM 0 H LYS A 54 8.798 8.128 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 54 8.642 8.549 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.734 8.530 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.522 6.806 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.032 6.855 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.511 6.683 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.379 8.444 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.570 9.359 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.420 8.461 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.104 9.843 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.320 10.839 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.639 10.594 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.643 9.539 -5.067 1.00 0.00 H new ATOM 280 N GLU A 55 8.160 5.487 -5.279 1.00 0.00 N ATOM 281 CA GLU A 55 7.605 4.182 -5.619 1.00 0.00 C ATOM 282 C GLU A 55 6.182 4.318 -6.152 1.00 0.00 C ATOM 283 O GLU A 55 5.868 3.847 -7.246 1.00 0.00 O ATOM 284 CB GLU A 55 7.618 3.263 -4.396 1.00 0.00 C ATOM 285 CG GLU A 55 9.004 2.763 -4.025 1.00 0.00 C ATOM 286 CD GLU A 55 9.427 1.558 -4.842 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.880 1.750 -5.991 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.307 0.424 -4.335 1.00 0.00 O ATOM 0 H GLU A 55 8.483 5.570 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 55 8.226 3.744 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.194 3.798 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.972 2.407 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.727 3.566 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.021 2.504 -2.966 1.00 0.00 H new ATOM 295 N VAL A 56 5.323 4.966 -5.371 1.00 0.00 N ATOM 296 CA VAL A 56 3.933 5.165 -5.763 1.00 0.00 C ATOM 297 C VAL A 56 3.838 5.845 -7.124 1.00 0.00 C ATOM 298 O VAL A 56 3.288 5.285 -8.073 1.00 0.00 O ATOM 299 CB VAL A 56 3.172 6.011 -4.725 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.752 6.283 -5.194 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.172 5.317 -3.371 1.00 0.00 C ATOM 0 H VAL A 56 5.566 5.362 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 56 3.476 4.177 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 56 3.682 6.968 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.231 6.882 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.779 6.825 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.227 5.338 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.630 5.928 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.687 4.345 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.199 5.180 -3.032 1.00 0.00 H new ATOM 311 N SER A 57 4.378 7.056 -7.214 1.00 0.00 N ATOM 312 CA SER A 57 4.352 7.815 -8.458 1.00 0.00 C ATOM 313 C SER A 57 4.713 6.926 -9.644 1.00 0.00 C ATOM 314 O SER A 57 3.936 6.787 -10.589 1.00 0.00 O ATOM 315 CB SER A 57 5.319 8.998 -8.380 1.00 0.00 C ATOM 316 OG SER A 57 4.973 10.003 -9.317 1.00 0.00 O ATOM 0 H SER A 57 4.839 7.533 -6.439 1.00 0.00 H new ATOM 0 HA SER A 57 3.340 8.192 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.307 9.416 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.336 8.654 -8.570 1.00 0.00 H new ATOM 0 HG SER A 57 5.605 10.748 -9.246 1.00 0.00 H new ATOM 322 N ASP A 58 5.897 6.328 -9.588 1.00 0.00 N ATOM 323 CA ASP A 58 6.363 5.451 -10.656 1.00 0.00 C ATOM 324 C ASP A 58 5.268 4.474 -11.073 1.00 0.00 C ATOM 325 O ASP A 58 5.040 4.251 -12.262 1.00 0.00 O ATOM 326 CB ASP A 58 7.607 4.682 -10.208 1.00 0.00 C ATOM 327 CG ASP A 58 8.210 3.855 -11.326 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.949 4.428 -12.155 1.00 0.00 O ATOM 329 OD2 ASP A 58 7.945 2.636 -11.372 1.00 0.00 O ATOM 0 H ASP A 58 6.553 6.434 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 58 6.619 6.070 -11.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.352 5.386 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.346 4.028 -9.376 1.00 0.00 H new ATOM 334 N PHE A 59 4.594 3.892 -10.086 1.00 0.00 N ATOM 335 CA PHE A 59 3.524 2.937 -10.351 1.00 0.00 C ATOM 336 C PHE A 59 2.375 3.602 -11.102 1.00 0.00 C ATOM 337 O PHE A 59 1.826 3.034 -12.047 1.00 0.00 O ATOM 338 CB PHE A 59 3.012 2.337 -9.039 1.00 0.00 C ATOM 339 CG PHE A 59 1.627 1.765 -9.143 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.516 2.566 -8.935 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.437 0.427 -9.446 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.760 2.042 -9.030 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.164 -0.102 -9.543 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.936 0.707 -9.333 1.00 0.00 C ATOM 0 H PHE A 59 4.770 4.065 -9.096 1.00 0.00 H new ATOM 0 HA PHE A 59 3.928 2.139 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.697 1.553 -8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.022 3.107 -8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.648 3.611 -8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.294 -0.210 -9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.618 2.677 -8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.029 -1.146 -9.783 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.932 0.296 -9.406 1.00 0.00 H new ATOM 354 N ILE A 60 2.016 4.808 -10.675 1.00 0.00 N ATOM 355 CA ILE A 60 0.933 5.550 -11.307 1.00 0.00 C ATOM 356 C ILE A 60 1.153 5.670 -12.811 1.00 0.00 C ATOM 357 O ILE A 60 0.330 5.217 -13.606 1.00 0.00 O ATOM 358 CB ILE A 60 0.792 6.961 -10.707 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.384 6.874 -9.234 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.223 7.774 -11.496 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.691 8.129 -8.447 1.00 0.00 C ATOM 0 H ILE A 60 2.459 5.292 -9.894 1.00 0.00 H new ATOM 0 HA ILE A 60 0.016 4.991 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 60 1.757 7.464 -10.769 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.685 6.669 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.897 6.031 -8.772 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.311 8.769 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.106 7.860 -12.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.192 7.276 -11.463 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.375 7.996 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.763 8.324 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.156 8.972 -8.884 1.00 0.00 H new ATOM 373 N GLN A 61 2.269 6.281 -13.194 1.00 0.00 N ATOM 374 CA GLN A 61 2.598 6.459 -14.603 1.00 0.00 C ATOM 375 C GLN A 61 2.558 5.127 -15.344 1.00 0.00 C ATOM 376 O GLN A 61 2.048 5.042 -16.461 1.00 0.00 O ATOM 377 CB GLN A 61 3.981 7.096 -14.750 1.00 0.00 C ATOM 378 CG GLN A 61 4.113 8.435 -14.043 1.00 0.00 C ATOM 379 CD GLN A 61 5.496 9.039 -14.188 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.365 8.474 -14.853 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.706 10.193 -13.567 1.00 0.00 N ATOM 0 H GLN A 61 2.961 6.661 -12.548 1.00 0.00 H new ATOM 0 HA GLN A 61 1.852 7.121 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.731 6.411 -14.355 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.199 7.231 -15.809 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.374 9.128 -14.445 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.886 8.306 -12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.956 10.625 -13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.617 10.648 -13.630 1.00 0.00 H new ATOM 390 N ASP A 62 3.098 4.089 -14.715 1.00 0.00 N ATOM 391 CA ASP A 62 3.123 2.760 -15.314 1.00 0.00 C ATOM 392 C ASP A 62 1.713 2.296 -15.666 1.00 0.00 C ATOM 393 O ASP A 62 0.840 2.218 -14.802 1.00 0.00 O ATOM 394 CB ASP A 62 3.779 1.760 -14.361 1.00 0.00 C ATOM 395 CG ASP A 62 4.480 0.634 -15.095 1.00 0.00 C ATOM 396 OD1 ASP A 62 3.780 -0.221 -15.678 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.728 0.608 -15.089 1.00 0.00 O ATOM 0 H ASP A 62 3.524 4.142 -13.790 1.00 0.00 H new ATOM 0 HA ASP A 62 3.709 2.813 -16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.499 2.282 -13.730 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.020 1.342 -13.700 1.00 0.00 H new ATOM 402 N SER A 63 1.498 1.990 -16.942 1.00 0.00 N ATOM 403 CA SER A 63 0.192 1.538 -17.410 1.00 0.00 C ATOM 404 C SER A 63 0.021 0.040 -17.179 1.00 0.00 C ATOM 405 O SER A 63 -0.866 -0.388 -16.442 1.00 0.00 O ATOM 406 CB SER A 63 0.020 1.860 -18.895 1.00 0.00 C ATOM 407 OG SER A 63 -1.173 1.291 -19.406 1.00 0.00 O ATOM 0 H SER A 63 2.211 2.047 -17.670 1.00 0.00 H new ATOM 0 HA SER A 63 -0.573 2.065 -16.840 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.000 2.941 -19.036 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.876 1.481 -19.454 1.00 0.00 H new ATOM 0 HG SER A 63 -1.260 1.513 -20.357 1.00 0.00 H new ATOM 413 N GLY A 64 0.878 -0.752 -17.815 1.00 0.00 N ATOM 414 CA GLY A 64 0.805 -2.194 -17.667 1.00 0.00 C ATOM 415 C GLY A 64 0.481 -2.616 -16.248 1.00 0.00 C ATOM 416 O GLY A 64 -0.284 -3.555 -16.032 1.00 0.00 O ATOM 0 H GLY A 64 1.621 -0.421 -18.430 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.045 -2.587 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.756 -2.635 -17.966 1.00 0.00 H new ATOM 420 N GLN A 65 1.066 -1.921 -15.277 1.00 0.00 N ATOM 421 CA GLN A 65 0.836 -2.230 -13.871 1.00 0.00 C ATOM 422 C GLN A 65 -0.456 -1.590 -13.377 1.00 0.00 C ATOM 423 O GLN A 65 -0.598 -0.367 -13.389 1.00 0.00 O ATOM 424 CB GLN A 65 2.015 -1.750 -13.023 1.00 0.00 C ATOM 425 CG GLN A 65 3.338 -2.399 -13.396 1.00 0.00 C ATOM 426 CD GLN A 65 4.403 -2.204 -12.335 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.385 -2.858 -11.292 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.340 -1.300 -12.597 1.00 0.00 N ATOM 0 H GLN A 65 1.702 -1.141 -15.439 1.00 0.00 H new ATOM 0 HA GLN A 65 0.744 -3.312 -13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.109 -0.669 -13.125 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.803 -1.954 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.182 -3.466 -13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.690 -1.982 -14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.316 -0.781 -13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.083 -1.125 -11.921 1.00 0.00 H new ATOM 437 N ILE A 66 -1.395 -2.423 -12.942 1.00 0.00 N ATOM 438 CA ILE A 66 -2.676 -1.937 -12.443 1.00 0.00 C ATOM 439 C ILE A 66 -2.698 -1.915 -10.918 1.00 0.00 C ATOM 440 O ILE A 66 -3.381 -1.092 -10.308 1.00 0.00 O ATOM 441 CB ILE A 66 -3.843 -2.804 -12.950 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.688 -4.245 -12.458 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.914 -2.762 -14.469 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.969 -5.047 -12.525 1.00 0.00 C ATOM 0 H ILE A 66 -1.293 -3.438 -12.925 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.798 -0.922 -12.821 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.774 -2.402 -12.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.925 -4.744 -13.055 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.330 -4.232 -11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.744 -3.380 -14.812 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.067 -1.734 -14.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.982 -3.142 -14.887 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.785 -6.058 -12.161 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.729 -4.571 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.317 -5.091 -13.557 1.00 0.00 H new ATOM 456 N LYS A 67 -1.946 -2.824 -10.307 1.00 0.00 N ATOM 457 CA LYS A 67 -1.876 -2.908 -8.853 1.00 0.00 C ATOM 458 C LYS A 67 -0.466 -3.269 -8.397 1.00 0.00 C ATOM 459 O LYS A 67 0.293 -3.901 -9.132 1.00 0.00 O ATOM 460 CB LYS A 67 -2.873 -3.945 -8.333 1.00 0.00 C ATOM 461 CG LYS A 67 -2.534 -5.370 -8.734 1.00 0.00 C ATOM 462 CD LYS A 67 -3.469 -6.372 -8.077 1.00 0.00 C ATOM 463 CE LYS A 67 -2.939 -7.792 -8.201 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.694 -8.743 -7.339 1.00 0.00 N ATOM 0 H LYS A 67 -1.376 -3.514 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.132 -1.931 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.915 -3.883 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.868 -3.699 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.597 -5.469 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.505 -5.593 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.593 -6.119 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.455 -6.309 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.003 -8.114 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.884 -7.811 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.302 -9.700 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.612 -8.450 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.696 -8.744 -7.618 1.00 0.00 H new ATOM 478 N LYS A 68 -0.122 -2.866 -7.178 1.00 0.00 N ATOM 479 CA LYS A 68 1.195 -3.150 -6.621 1.00 0.00 C ATOM 480 C LYS A 68 1.083 -3.650 -5.185 1.00 0.00 C ATOM 481 O LYS A 68 0.278 -3.145 -4.401 1.00 0.00 O ATOM 482 CB LYS A 68 2.072 -1.896 -6.668 1.00 0.00 C ATOM 483 CG LYS A 68 3.527 -2.158 -6.317 1.00 0.00 C ATOM 484 CD LYS A 68 4.317 -0.864 -6.214 1.00 0.00 C ATOM 485 CE LYS A 68 5.809 -1.131 -6.090 1.00 0.00 C ATOM 486 NZ LYS A 68 6.217 -1.354 -4.675 1.00 0.00 N ATOM 0 H LYS A 68 -0.738 -2.341 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 68 1.656 -3.932 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.020 -1.464 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.668 -1.154 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.583 -2.696 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.975 -2.800 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.128 -0.250 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.975 -0.295 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.072 -2.005 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.364 -0.287 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.250 -1.263 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.757 -0.647 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.929 -2.308 -4.377 1.00 0.00 H new ATOM 500 N LYS A 69 1.894 -4.646 -4.845 1.00 0.00 N ATOM 501 CA LYS A 69 1.888 -5.214 -3.502 1.00 0.00 C ATOM 502 C LYS A 69 3.144 -4.812 -2.735 1.00 0.00 C ATOM 503 O LYS A 69 4.263 -5.024 -3.203 1.00 0.00 O ATOM 504 CB LYS A 69 1.787 -6.739 -3.571 1.00 0.00 C ATOM 505 CG LYS A 69 1.083 -7.357 -2.376 1.00 0.00 C ATOM 506 CD LYS A 69 1.553 -8.781 -2.127 1.00 0.00 C ATOM 507 CE LYS A 69 2.721 -8.820 -1.153 1.00 0.00 C ATOM 508 NZ LYS A 69 3.968 -8.281 -1.761 1.00 0.00 N ATOM 0 H LYS A 69 2.564 -5.077 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 69 1.019 -4.822 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.255 -7.019 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.790 -7.158 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.269 -6.751 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.006 -7.352 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.728 -9.374 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.850 -9.238 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.471 -8.242 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.889 -9.847 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.781 -8.523 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.101 -8.696 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.895 -7.247 -1.845 1.00 0.00 H new ATOM 522 N PHE A 70 2.952 -4.231 -1.556 1.00 0.00 N ATOM 523 CA PHE A 70 4.069 -3.800 -0.724 1.00 0.00 C ATOM 524 C PHE A 70 4.406 -4.856 0.324 1.00 0.00 C ATOM 525 O PHE A 70 3.595 -5.733 0.619 1.00 0.00 O ATOM 526 CB PHE A 70 3.740 -2.472 -0.040 1.00 0.00 C ATOM 527 CG PHE A 70 3.910 -1.278 -0.935 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.164 -0.729 -1.150 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.815 -0.703 -1.560 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.324 0.369 -1.974 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.969 0.395 -2.385 1.00 0.00 C ATOM 532 CZ PHE A 70 4.224 0.933 -2.591 1.00 0.00 C ATOM 0 H PHE A 70 2.032 -4.048 -1.155 1.00 0.00 H new ATOM 0 HA PHE A 70 4.938 -3.663 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.712 -2.503 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.380 -2.355 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.027 -1.164 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.830 -1.117 -1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.307 0.785 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.108 0.832 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.345 1.793 -3.233 1.00 0.00 H new ATOM 542 N GLN A 71 5.609 -4.764 0.883 1.00 0.00 N ATOM 543 CA GLN A 71 6.053 -5.712 1.898 1.00 0.00 C ATOM 544 C GLN A 71 6.085 -5.059 3.276 1.00 0.00 C ATOM 545 O GLN A 71 6.545 -3.929 3.444 1.00 0.00 O ATOM 546 CB GLN A 71 7.439 -6.255 1.546 1.00 0.00 C ATOM 547 CG GLN A 71 7.720 -7.630 2.129 1.00 0.00 C ATOM 548 CD GLN A 71 8.129 -7.574 3.587 1.00 0.00 C ATOM 549 OE1 GLN A 71 8.847 -6.665 4.008 1.00 0.00 O ATOM 550 NE2 GLN A 71 7.675 -8.546 4.369 1.00 0.00 N ATOM 0 H GLN A 71 6.292 -4.044 0.650 1.00 0.00 H new ATOM 0 HA GLN A 71 5.342 -6.538 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.537 -6.303 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.195 -5.556 1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.830 -8.251 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.510 -8.110 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.083 -9.279 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.918 -8.559 5.359 1.00 0.00 H new ATOM 559 N PRO A 72 5.584 -5.785 4.287 1.00 0.00 N ATOM 560 CA PRO A 72 5.544 -5.296 5.668 1.00 0.00 C ATOM 561 C PRO A 72 6.933 -5.206 6.292 1.00 0.00 C ATOM 562 O PRO A 72 7.365 -6.113 7.002 1.00 0.00 O ATOM 563 CB PRO A 72 4.700 -6.348 6.392 1.00 0.00 C ATOM 564 CG PRO A 72 4.868 -7.589 5.585 1.00 0.00 C ATOM 565 CD PRO A 72 5.019 -7.139 4.159 1.00 0.00 C ATOM 0 HA PRO A 72 5.138 -4.286 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.042 -6.493 7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.653 -6.048 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.743 -8.151 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.006 -8.247 5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.680 -7.799 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.062 -7.127 3.638 1.00 0.00 H new ATOM 573 N MET A 73 7.627 -4.105 6.022 1.00 0.00 N ATOM 574 CA MET A 73 8.967 -3.896 6.559 1.00 0.00 C ATOM 575 C MET A 73 8.903 -3.350 7.981 1.00 0.00 C ATOM 576 O MET A 73 9.658 -3.776 8.854 1.00 0.00 O ATOM 577 CB MET A 73 9.753 -2.935 5.665 1.00 0.00 C ATOM 578 CG MET A 73 10.155 -3.538 4.329 1.00 0.00 C ATOM 579 SD MET A 73 10.356 -2.296 3.038 1.00 0.00 S ATOM 580 CE MET A 73 8.648 -1.997 2.588 1.00 0.00 C ATOM 0 H MET A 73 7.284 -3.344 5.435 1.00 0.00 H new ATOM 0 HA MET A 73 9.477 -4.859 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.151 -2.044 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.650 -2.612 6.193 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.089 -4.086 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.400 -4.260 4.019 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.547 -0.986 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.341 -2.715 1.828 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.015 -2.108 3.468 1.00 0.00 H new ATOM 590 N ASN A 74 7.998 -2.404 8.207 1.00 0.00 N ATOM 591 CA ASN A 74 7.837 -1.799 9.525 1.00 0.00 C ATOM 592 C ASN A 74 6.379 -1.845 9.970 1.00 0.00 C ATOM 593 O ASN A 74 5.507 -2.309 9.235 1.00 0.00 O ATOM 594 CB ASN A 74 8.331 -0.351 9.508 1.00 0.00 C ATOM 595 CG ASN A 74 8.682 0.157 10.893 1.00 0.00 C ATOM 596 OD1 ASN A 74 9.176 -0.594 11.734 1.00 0.00 O ATOM 597 ND2 ASN A 74 8.428 1.437 11.135 1.00 0.00 N ATOM 0 H ASN A 74 7.365 -2.039 7.495 1.00 0.00 H new ATOM 0 HA ASN A 74 8.434 -2.371 10.235 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.207 -0.277 8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.561 0.287 9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.643 1.836 12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.018 2.022 10.407 1.00 0.00 H new ATOM 604 N LYS A 75 6.120 -1.361 11.180 1.00 0.00 N ATOM 605 CA LYS A 75 4.767 -1.345 11.725 1.00 0.00 C ATOM 606 C LYS A 75 4.062 -0.033 11.393 1.00 0.00 C ATOM 607 O LYS A 75 2.846 -0.002 11.208 1.00 0.00 O ATOM 608 CB LYS A 75 4.804 -1.546 13.242 1.00 0.00 C ATOM 609 CG LYS A 75 5.081 -2.980 13.659 1.00 0.00 C ATOM 610 CD LYS A 75 5.099 -3.128 15.171 1.00 0.00 C ATOM 611 CE LYS A 75 6.429 -2.681 15.758 1.00 0.00 C ATOM 612 NZ LYS A 75 6.480 -2.883 17.233 1.00 0.00 N ATOM 0 H LYS A 75 6.830 -0.974 11.802 1.00 0.00 H new ATOM 0 HA LYS A 75 4.209 -2.163 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.571 -0.898 13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.850 -1.231 13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.319 -3.636 13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.039 -3.300 13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.292 -2.538 15.605 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.913 -4.168 15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.239 -3.237 15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.591 -1.628 15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.402 -2.566 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.723 -2.332 17.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.351 -3.892 17.450 1.00 0.00 H new ATOM 626 N ILE A 76 4.835 1.045 11.317 1.00 0.00 N ATOM 627 CA ILE A 76 4.284 2.358 11.003 1.00 0.00 C ATOM 628 C ILE A 76 4.319 2.625 9.503 1.00 0.00 C ATOM 629 O ILE A 76 3.471 3.340 8.970 1.00 0.00 O ATOM 630 CB ILE A 76 5.050 3.478 11.731 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.131 3.180 13.230 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.380 4.822 11.489 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.779 3.103 13.905 1.00 0.00 C ATOM 0 H ILE A 76 5.844 1.035 11.468 1.00 0.00 H new ATOM 0 HA ILE A 76 3.249 2.356 11.344 1.00 0.00 H new ATOM 0 HB ILE A 76 6.064 3.522 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.656 2.236 13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.726 3.954 13.714 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.933 5.603 12.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.369 5.036 10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.357 4.791 11.863 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.913 2.889 14.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.260 4.055 13.790 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.188 2.310 13.447 1.00 0.00 H new ATOM 645 N GLU A 77 5.306 2.044 8.827 1.00 0.00 N ATOM 646 CA GLU A 77 5.450 2.220 7.386 1.00 0.00 C ATOM 647 C GLU A 77 4.089 2.201 6.696 1.00 0.00 C ATOM 648 O GLU A 77 3.896 2.841 5.663 1.00 0.00 O ATOM 649 CB GLU A 77 6.345 1.123 6.804 1.00 0.00 C ATOM 650 CG GLU A 77 5.765 -0.274 6.944 1.00 0.00 C ATOM 651 CD GLU A 77 6.195 -1.199 5.823 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.266 -0.953 5.229 1.00 0.00 O ATOM 653 OE2 GLU A 77 5.462 -2.169 5.538 1.00 0.00 O ATOM 0 H GLU A 77 6.016 1.449 9.253 1.00 0.00 H new ATOM 0 HA GLU A 77 5.914 3.190 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.520 1.331 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.315 1.156 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.075 -0.698 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.677 -0.212 6.961 1.00 0.00 H new ATOM 660 N ARG A 78 3.149 1.461 7.276 1.00 0.00 N ATOM 661 CA ARG A 78 1.807 1.356 6.716 1.00 0.00 C ATOM 662 C ARG A 78 1.101 2.709 6.740 1.00 0.00 C ATOM 663 O ARG A 78 0.668 3.213 5.704 1.00 0.00 O ATOM 664 CB ARG A 78 0.986 0.327 7.495 1.00 0.00 C ATOM 665 CG ARG A 78 -0.470 0.256 7.063 1.00 0.00 C ATOM 666 CD ARG A 78 -1.048 -1.134 7.280 1.00 0.00 C ATOM 667 NE ARG A 78 -1.059 -1.508 8.692 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.027 -1.168 9.535 1.00 0.00 C ATOM 669 NH1 ARG A 78 -3.059 -0.451 9.111 1.00 0.00 N ATOM 670 NH2 ARG A 78 -1.966 -1.546 10.805 1.00 0.00 N ATOM 0 H ARG A 78 3.292 0.926 8.133 1.00 0.00 H new ATOM 0 HA ARG A 78 1.897 1.030 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.441 -0.656 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.030 0.569 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.053 0.986 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.552 0.525 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.064 -1.169 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.464 -1.862 6.717 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.280 -2.061 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.111 -0.159 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.801 -0.191 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.175 -2.099 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.710 -1.284 11.451 1.00 0.00 H new ATOM 684 N SER A 79 0.988 3.291 7.930 1.00 0.00 N ATOM 685 CA SER A 79 0.331 4.583 8.089 1.00 0.00 C ATOM 686 C SER A 79 0.958 5.628 7.172 1.00 0.00 C ATOM 687 O SER A 79 0.255 6.358 6.473 1.00 0.00 O ATOM 688 CB SER A 79 0.418 5.047 9.545 1.00 0.00 C ATOM 689 OG SER A 79 -0.626 4.487 10.322 1.00 0.00 O ATOM 0 H SER A 79 1.343 2.888 8.797 1.00 0.00 H new ATOM 0 HA SER A 79 -0.717 4.466 7.814 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.382 4.760 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.364 6.135 9.587 1.00 0.00 H new ATOM 0 HG SER A 79 -0.547 4.797 11.248 1.00 0.00 H new ATOM 695 N ILE A 80 2.285 5.694 7.181 1.00 0.00 N ATOM 696 CA ILE A 80 3.008 6.649 6.350 1.00 0.00 C ATOM 697 C ILE A 80 2.706 6.429 4.872 1.00 0.00 C ATOM 698 O ILE A 80 2.230 7.333 4.183 1.00 0.00 O ATOM 699 CB ILE A 80 4.529 6.551 6.572 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.866 6.765 8.049 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.257 7.566 5.704 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.161 6.111 8.475 1.00 0.00 C ATOM 0 H ILE A 80 2.881 5.098 7.755 1.00 0.00 H new ATOM 0 HA ILE A 80 2.670 7.643 6.644 1.00 0.00 H new ATOM 0 HB ILE A 80 4.860 5.553 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.926 7.835 8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.053 6.373 8.659 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.331 7.485 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.038 7.371 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.924 8.571 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.335 6.304 9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.098 5.036 8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.985 6.521 7.891 1.00 0.00 H new ATOM 714 N LEU A 81 2.984 5.223 4.389 1.00 0.00 N ATOM 715 CA LEU A 81 2.741 4.883 2.992 1.00 0.00 C ATOM 716 C LEU A 81 1.309 5.224 2.590 1.00 0.00 C ATOM 717 O LEU A 81 1.070 5.779 1.516 1.00 0.00 O ATOM 718 CB LEU A 81 3.008 3.396 2.754 1.00 0.00 C ATOM 719 CG LEU A 81 2.467 2.817 1.447 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.065 3.544 0.253 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.756 1.325 1.364 1.00 0.00 C ATOM 0 H LEU A 81 3.378 4.464 4.945 1.00 0.00 H new ATOM 0 HA LEU A 81 3.422 5.471 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.085 3.232 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.578 2.833 3.583 1.00 0.00 H new ATOM 0 HG LEU A 81 1.386 2.959 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.668 3.118 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.807 4.602 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.149 3.434 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.364 0.930 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.833 1.160 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.279 0.815 2.201 1.00 0.00 H new ATOM 733 N HIS A 82 0.361 4.891 3.459 1.00 0.00 N ATOM 734 CA HIS A 82 -1.048 5.165 3.196 1.00 0.00 C ATOM 735 C HIS A 82 -1.266 6.645 2.894 1.00 0.00 C ATOM 736 O HIS A 82 -1.948 6.998 1.932 1.00 0.00 O ATOM 737 CB HIS A 82 -1.903 4.745 4.392 1.00 0.00 C ATOM 738 CG HIS A 82 -2.430 3.347 4.289 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.762 3.059 4.076 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.797 2.153 4.369 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.925 1.749 4.031 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.748 1.176 4.206 1.00 0.00 N ATOM 0 H HIS A 82 0.542 4.431 4.351 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.349 4.586 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.310 4.835 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.742 5.435 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.741 1.998 4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.862 1.234 3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.574 0.171 4.218 1.00 0.00 H new ATOM 750 N ASP A 83 -0.684 7.505 3.722 1.00 0.00 N ATOM 751 CA ASP A 83 -0.815 8.946 3.544 1.00 0.00 C ATOM 752 C ASP A 83 -0.319 9.370 2.165 1.00 0.00 C ATOM 753 O ASP A 83 -0.983 10.131 1.461 1.00 0.00 O ATOM 754 CB ASP A 83 -0.036 9.689 4.631 1.00 0.00 C ATOM 755 CG ASP A 83 -0.574 11.085 4.877 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.789 11.296 4.678 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.219 11.965 5.270 1.00 0.00 O ATOM 0 H ASP A 83 -0.117 7.229 4.523 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.871 9.203 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.078 9.118 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.013 9.753 4.343 1.00 0.00 H new ATOM 762 N VAL A 84 0.855 8.874 1.786 1.00 0.00 N ATOM 763 CA VAL A 84 1.441 9.201 0.491 1.00 0.00 C ATOM 764 C VAL A 84 0.537 8.750 -0.651 1.00 0.00 C ATOM 765 O VAL A 84 0.433 9.422 -1.677 1.00 0.00 O ATOM 766 CB VAL A 84 2.827 8.552 0.322 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.404 8.873 -1.048 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.768 9.009 1.427 1.00 0.00 C ATOM 0 H VAL A 84 1.419 8.244 2.357 1.00 0.00 H new ATOM 0 HA VAL A 84 1.550 10.285 0.457 1.00 0.00 H new ATOM 0 HB VAL A 84 2.714 7.471 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.384 8.406 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.738 8.491 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.504 9.953 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.743 8.540 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.878 10.093 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.359 8.722 2.395 1.00 0.00 H new ATOM 778 N VAL A 85 -0.116 7.607 -0.465 1.00 0.00 N ATOM 779 CA VAL A 85 -1.012 7.066 -1.479 1.00 0.00 C ATOM 780 C VAL A 85 -2.269 7.919 -1.614 1.00 0.00 C ATOM 781 O VAL A 85 -2.574 8.425 -2.693 1.00 0.00 O ATOM 782 CB VAL A 85 -1.421 5.617 -1.152 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.452 5.114 -2.151 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.200 4.711 -1.131 1.00 0.00 C ATOM 0 H VAL A 85 -0.041 7.038 0.378 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.466 7.077 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.874 5.601 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.728 4.089 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.337 5.748 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.030 5.144 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.507 3.691 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.284 4.730 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.500 5.061 -0.372 1.00 0.00 H new ATOM 794 N GLU A 86 -2.993 8.073 -0.510 1.00 0.00 N ATOM 795 CA GLU A 86 -4.218 8.866 -0.506 1.00 0.00 C ATOM 796 C GLU A 86 -3.986 10.229 -1.150 1.00 0.00 C ATOM 797 O GLU A 86 -4.874 10.780 -1.801 1.00 0.00 O ATOM 798 CB GLU A 86 -4.730 9.046 0.925 1.00 0.00 C ATOM 799 CG GLU A 86 -3.954 10.079 1.724 1.00 0.00 C ATOM 800 CD GLU A 86 -4.730 10.596 2.920 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.624 9.872 3.404 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.442 11.724 3.371 1.00 0.00 O ATOM 0 H GLU A 86 -2.754 7.660 0.392 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.968 8.332 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.780 9.338 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.682 8.088 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.017 9.639 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.695 10.915 1.075 1.00 0.00 H new ATOM 809 N VAL A 87 -2.785 10.769 -0.963 1.00 0.00 N ATOM 810 CA VAL A 87 -2.435 12.068 -1.526 1.00 0.00 C ATOM 811 C VAL A 87 -2.184 11.967 -3.026 1.00 0.00 C ATOM 812 O VAL A 87 -2.610 12.828 -3.796 1.00 0.00 O ATOM 813 CB VAL A 87 -1.184 12.655 -0.846 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.799 13.979 -1.488 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.421 12.827 0.647 1.00 0.00 C ATOM 0 H VAL A 87 -2.039 10.327 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.282 12.730 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.357 11.958 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.087 14.379 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.586 13.822 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.622 14.686 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.527 13.243 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.261 13.503 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.645 11.858 1.094 1.00 0.00 H new ATOM 825 N ALA A 88 -1.491 10.909 -3.435 1.00 0.00 N ATOM 826 CA ALA A 88 -1.185 10.694 -4.844 1.00 0.00 C ATOM 827 C ALA A 88 -2.460 10.499 -5.658 1.00 0.00 C ATOM 828 O ALA A 88 -2.533 10.897 -6.820 1.00 0.00 O ATOM 829 CB ALA A 88 -0.263 9.495 -5.007 1.00 0.00 C ATOM 0 H ALA A 88 -1.131 10.187 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.677 11.582 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.043 9.346 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.665 9.674 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.750 8.605 -4.609 1.00 0.00 H new ATOM 835 N GLY A 89 -3.462 9.881 -5.041 1.00 0.00 N ATOM 836 CA GLY A 89 -4.720 9.643 -5.724 1.00 0.00 C ATOM 837 C GLY A 89 -4.901 8.190 -6.116 1.00 0.00 C ATOM 838 O GLY A 89 -5.388 7.889 -7.207 1.00 0.00 O ATOM 0 H GLY A 89 -3.425 9.541 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.544 9.947 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.768 10.266 -6.617 1.00 0.00 H new ATOM 842 N LEU A 90 -4.506 7.286 -5.227 1.00 0.00 N ATOM 843 CA LEU A 90 -4.625 5.855 -5.486 1.00 0.00 C ATOM 844 C LEU A 90 -5.369 5.156 -4.352 1.00 0.00 C ATOM 845 O LEU A 90 -5.615 5.746 -3.299 1.00 0.00 O ATOM 846 CB LEU A 90 -3.240 5.231 -5.663 1.00 0.00 C ATOM 847 CG LEU A 90 -2.476 5.639 -6.923 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.044 5.129 -6.868 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.182 5.119 -8.167 1.00 0.00 C ATOM 0 H LEU A 90 -4.100 7.518 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.196 5.724 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.634 5.489 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.350 4.147 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.450 6.728 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.516 5.429 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.541 5.550 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.048 4.042 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.624 5.419 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.239 4.031 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.189 5.534 -8.214 1.00 0.00 H new ATOM 861 N THR A 91 -5.724 3.894 -4.574 1.00 0.00 N ATOM 862 CA THR A 91 -6.439 3.114 -3.571 1.00 0.00 C ATOM 863 C THR A 91 -5.472 2.320 -2.701 1.00 0.00 C ATOM 864 O THR A 91 -4.547 1.683 -3.206 1.00 0.00 O ATOM 865 CB THR A 91 -7.441 2.144 -4.223 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.368 2.871 -5.037 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.197 1.354 -3.165 1.00 0.00 C ATOM 0 H THR A 91 -5.528 3.391 -5.439 1.00 0.00 H new ATOM 0 HA THR A 91 -6.985 3.823 -2.949 1.00 0.00 H new ATOM 0 HB THR A 91 -6.883 1.444 -4.845 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.001 2.247 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.899 0.676 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.491 0.779 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.744 2.041 -2.519 1.00 0.00 H new ATOM 875 N SER A 92 -5.692 2.360 -1.391 1.00 0.00 N ATOM 876 CA SER A 92 -4.837 1.646 -0.450 1.00 0.00 C ATOM 877 C SER A 92 -5.656 0.683 0.405 1.00 0.00 C ATOM 878 O SER A 92 -6.652 1.071 1.016 1.00 0.00 O ATOM 879 CB SER A 92 -4.092 2.635 0.448 1.00 0.00 C ATOM 880 OG SER A 92 -4.988 3.320 1.306 1.00 0.00 O ATOM 0 H SER A 92 -6.455 2.879 -0.957 1.00 0.00 H new ATOM 0 HA SER A 92 -4.111 1.069 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.349 2.103 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.552 3.354 -0.168 1.00 0.00 H new ATOM 0 HG SER A 92 -4.603 3.374 2.206 1.00 0.00 H new ATOM 886 N PHE A 93 -5.228 -0.575 0.443 1.00 0.00 N ATOM 887 CA PHE A 93 -5.921 -1.594 1.222 1.00 0.00 C ATOM 888 C PHE A 93 -4.927 -2.561 1.860 1.00 0.00 C ATOM 889 O PHE A 93 -4.093 -3.152 1.175 1.00 0.00 O ATOM 890 CB PHE A 93 -6.901 -2.365 0.335 1.00 0.00 C ATOM 891 CG PHE A 93 -8.215 -1.663 0.143 1.00 0.00 C ATOM 892 CD1 PHE A 93 -9.104 -1.528 1.197 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.562 -1.139 -1.092 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.314 -0.883 1.023 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.770 -0.493 -1.273 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.647 -0.364 -0.213 1.00 0.00 C ATOM 0 H PHE A 93 -4.405 -0.913 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.476 -1.094 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.442 -2.533 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.083 -3.346 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.849 -1.931 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.880 -1.237 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.998 -0.785 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.028 -0.090 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.591 0.142 -0.351 1.00 0.00 H new ATOM 906 N SER A 94 -5.023 -2.715 3.177 1.00 0.00 N ATOM 907 CA SER A 94 -4.131 -3.605 3.909 1.00 0.00 C ATOM 908 C SER A 94 -4.670 -5.032 3.914 1.00 0.00 C ATOM 909 O SER A 94 -5.702 -5.316 4.523 1.00 0.00 O ATOM 910 CB SER A 94 -3.950 -3.112 5.346 1.00 0.00 C ATOM 911 OG SER A 94 -3.593 -1.741 5.373 1.00 0.00 O ATOM 0 H SER A 94 -5.710 -2.235 3.758 1.00 0.00 H new ATOM 0 HA SER A 94 -3.164 -3.602 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.874 -3.262 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.179 -3.702 5.842 1.00 0.00 H new ATOM 0 HG SER A 94 -4.065 -1.294 6.107 1.00 0.00 H new ATOM 917 N PHE A 95 -3.965 -5.927 3.229 1.00 0.00 N ATOM 918 CA PHE A 95 -4.373 -7.325 3.152 1.00 0.00 C ATOM 919 C PHE A 95 -3.304 -8.236 3.748 1.00 0.00 C ATOM 920 O PHE A 95 -2.146 -8.205 3.335 1.00 0.00 O ATOM 921 CB PHE A 95 -4.644 -7.720 1.699 1.00 0.00 C ATOM 922 CG PHE A 95 -5.723 -6.903 1.047 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.023 -6.941 1.524 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.436 -6.096 -0.043 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.017 -6.190 0.925 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.426 -5.343 -0.645 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.718 -5.389 -0.160 1.00 0.00 C ATOM 0 H PHE A 95 -3.109 -5.709 2.719 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.290 -7.443 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.723 -7.616 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.925 -8.773 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.262 -7.564 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.427 -6.055 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.027 -6.229 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.189 -4.719 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.493 -4.800 -0.628 1.00 0.00 H new ATOM 937 N GLY A 96 -3.703 -9.048 4.722 1.00 0.00 N ATOM 938 CA GLY A 96 -2.768 -9.957 5.360 1.00 0.00 C ATOM 939 C GLY A 96 -3.368 -11.327 5.607 1.00 0.00 C ATOM 940 O GLY A 96 -4.542 -11.442 5.959 1.00 0.00 O ATOM 0 H GLY A 96 -4.657 -9.093 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.881 -10.060 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.441 -9.531 6.308 1.00 0.00 H new ATOM 944 N GLU A 97 -2.562 -12.367 5.421 1.00 0.00 N ATOM 945 CA GLU A 97 -3.022 -13.736 5.624 1.00 0.00 C ATOM 946 C GLU A 97 -3.100 -14.068 7.111 1.00 0.00 C ATOM 947 O GLU A 97 -3.995 -14.791 7.551 1.00 0.00 O ATOM 948 CB GLU A 97 -2.089 -14.721 4.918 1.00 0.00 C ATOM 949 CG GLU A 97 -0.692 -14.770 5.514 1.00 0.00 C ATOM 950 CD GLU A 97 0.159 -13.585 5.103 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.432 -13.442 3.893 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.553 -12.800 5.991 1.00 0.00 O ATOM 0 H GLU A 97 -1.588 -12.288 5.130 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.021 -13.824 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.528 -15.718 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.016 -14.449 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.766 -14.800 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.200 -15.691 5.202 1.00 0.00 H new ATOM 959 N ASP A 98 -2.156 -13.537 7.880 1.00 0.00 N ATOM 960 CA ASP A 98 -2.117 -13.776 9.318 1.00 0.00 C ATOM 961 C ASP A 98 -1.956 -12.466 10.083 1.00 0.00 C ATOM 962 O ASP A 98 -1.434 -11.486 9.552 1.00 0.00 O ATOM 963 CB ASP A 98 -0.973 -14.729 9.667 1.00 0.00 C ATOM 964 CG ASP A 98 0.384 -14.167 9.291 1.00 0.00 C ATOM 965 OD1 ASP A 98 0.642 -13.998 8.081 1.00 0.00 O ATOM 966 OD2 ASP A 98 1.187 -13.894 10.208 1.00 0.00 O ATOM 0 H ASP A 98 -1.407 -12.938 7.532 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.062 -14.233 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.992 -14.939 10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.125 -15.678 9.153 1.00 0.00 H new ATOM 971 N ASP A 99 -2.408 -12.457 11.332 1.00 0.00 N ATOM 972 CA ASP A 99 -2.315 -11.267 12.170 1.00 0.00 C ATOM 973 C ASP A 99 -0.860 -10.848 12.358 1.00 0.00 C ATOM 974 O ASP A 99 -0.536 -9.661 12.321 1.00 0.00 O ATOM 975 CB ASP A 99 -2.964 -11.524 13.531 1.00 0.00 C ATOM 976 CG ASP A 99 -1.997 -12.130 14.529 1.00 0.00 C ATOM 977 OD1 ASP A 99 -1.185 -11.374 15.102 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.052 -13.361 14.736 1.00 0.00 O ATOM 0 H ASP A 99 -2.842 -13.260 11.787 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.846 -10.457 11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.351 -10.586 13.928 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.816 -12.192 13.404 1.00 0.00 H new ATOM 983 N ASP A 100 0.012 -11.830 12.560 1.00 0.00 N ATOM 984 CA ASP A 100 1.432 -11.563 12.754 1.00 0.00 C ATOM 985 C ASP A 100 2.022 -10.851 11.540 1.00 0.00 C ATOM 986 O ASP A 100 2.804 -9.910 11.680 1.00 0.00 O ATOM 987 CB ASP A 100 2.188 -12.868 13.011 1.00 0.00 C ATOM 988 CG ASP A 100 3.564 -12.634 13.602 1.00 0.00 C ATOM 989 OD1 ASP A 100 4.123 -11.538 13.387 1.00 0.00 O ATOM 990 OD2 ASP A 100 4.082 -13.546 14.279 1.00 0.00 O ATOM 0 H ASP A 100 -0.240 -12.818 12.594 1.00 0.00 H new ATOM 0 HA ASP A 100 1.538 -10.913 13.622 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.607 -13.494 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.287 -13.418 12.075 1.00 0.00 H new ATOM 995 N CYS A 101 1.643 -11.307 10.352 1.00 0.00 N ATOM 996 CA CYS A 101 2.136 -10.714 9.113 1.00 0.00 C ATOM 997 C CYS A 101 1.023 -9.962 8.390 1.00 0.00 C ATOM 998 O CYS A 101 0.057 -10.564 7.922 1.00 0.00 O ATOM 999 CB CYS A 101 2.714 -11.796 8.200 1.00 0.00 C ATOM 1000 SG CYS A 101 3.926 -11.185 7.006 1.00 0.00 S ATOM 0 H CYS A 101 0.996 -12.085 10.220 1.00 0.00 H new ATOM 0 HA CYS A 101 2.924 -10.005 9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.182 -12.564 8.816 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.897 -12.275 7.660 1.00 0.00 H new ATOM 0 HG CYS A 101 4.358 -12.174 6.282 1.00 0.00 H new ATOM 1006 N ARG A 102 1.167 -8.644 8.304 1.00 0.00 N ATOM 1007 CA ARG A 102 0.172 -7.809 7.640 1.00 0.00 C ATOM 1008 C ARG A 102 0.828 -6.902 6.603 1.00 0.00 C ATOM 1009 O ARG A 102 1.470 -5.909 6.949 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.583 -6.964 8.668 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.984 -6.574 8.225 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.006 -7.629 8.617 1.00 0.00 C ATOM 1013 NE ARG A 102 -4.332 -7.054 8.829 1.00 0.00 N ATOM 1014 CZ ARG A 102 -5.201 -6.831 7.850 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.887 -7.134 6.598 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -6.389 -6.305 8.122 1.00 0.00 N ATOM 0 H ARG A 102 1.962 -8.131 8.685 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.534 -8.464 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.648 -7.519 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.011 -6.059 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.256 -5.618 8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.999 -6.435 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.061 -8.388 7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.678 -8.130 9.528 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.605 -6.810 9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.976 -7.540 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.557 -6.962 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.635 -6.072 9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.056 -6.134 7.369 1.00 0.00 H new ATOM 1030 N TYR A 103 0.664 -7.250 5.332 1.00 0.00 N ATOM 1031 CA TYR A 103 1.242 -6.469 4.245 1.00 0.00 C ATOM 1032 C TYR A 103 0.239 -5.452 3.710 1.00 0.00 C ATOM 1033 O TYR A 103 -0.968 -5.587 3.914 1.00 0.00 O ATOM 1034 CB TYR A 103 1.702 -7.392 3.115 1.00 0.00 C ATOM 1035 CG TYR A 103 0.567 -8.106 2.417 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.234 -7.444 1.494 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.296 -9.443 2.679 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.272 -8.093 0.855 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.740 -10.100 2.043 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.522 -9.421 1.132 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.554 -10.071 0.496 1.00 0.00 O ATOM 0 H TYR A 103 0.135 -8.068 5.029 1.00 0.00 H new ATOM 0 HA TYR A 103 2.103 -5.929 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.257 -6.807 2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.392 -8.133 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.041 -6.405 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.906 -9.978 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.885 -7.563 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.936 -11.140 2.258 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.594 -11.001 0.803 1.00 0.00 H new ATOM 1051 N VAL A 104 0.747 -4.434 3.024 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.104 -3.394 2.457 1.00 0.00 C ATOM 1053 C VAL A 104 -0.129 -3.474 0.935 1.00 0.00 C ATOM 1054 O VAL A 104 0.887 -3.757 0.301 1.00 0.00 O ATOM 1055 CB VAL A 104 0.369 -1.990 2.879 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.792 -1.741 2.402 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.576 -0.926 2.342 1.00 0.00 C ATOM 0 H VAL A 104 1.743 -4.307 2.847 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.109 -3.562 2.843 1.00 0.00 H new ATOM 0 HB VAL A 104 0.361 -1.934 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.110 -0.744 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.458 -2.485 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.830 -1.815 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.227 0.060 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.602 -0.978 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.577 -1.096 2.737 1.00 0.00 H new ATOM 1067 N MET A 105 -1.298 -3.222 0.354 1.00 0.00 N ATOM 1068 CA MET A 105 -1.455 -3.264 -1.095 1.00 0.00 C ATOM 1069 C MET A 105 -2.075 -1.969 -1.612 1.00 0.00 C ATOM 1070 O MET A 105 -2.637 -1.189 -0.843 1.00 0.00 O ATOM 1071 CB MET A 105 -2.324 -4.456 -1.501 1.00 0.00 C ATOM 1072 CG MET A 105 -1.531 -5.730 -1.746 1.00 0.00 C ATOM 1073 SD MET A 105 -2.565 -7.091 -2.319 1.00 0.00 S ATOM 1074 CE MET A 105 -2.949 -6.547 -3.982 1.00 0.00 C ATOM 0 H MET A 105 -2.149 -2.987 0.864 1.00 0.00 H new ATOM 0 HA MET A 105 -0.466 -3.376 -1.540 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.061 -4.641 -0.719 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.876 -4.201 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.754 -5.533 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.028 -6.024 -0.824 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.927 -6.930 -4.273 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.961 -5.458 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.193 -6.922 -4.671 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.968 -1.748 -2.918 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.518 -0.548 -3.536 1.00 0.00 C ATOM 1086 C ILE A 106 -3.120 -0.860 -4.902 1.00 0.00 C ATOM 1087 O ILE A 106 -2.587 -1.675 -5.656 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.446 0.545 -3.698 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.285 0.029 -4.552 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.945 1.002 -2.336 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.436 1.119 -5.313 1.00 0.00 C ATOM 0 H ILE A 106 -1.506 -2.384 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.300 -0.182 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.894 1.400 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.428 -0.486 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.665 -0.707 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.188 1.775 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.777 1.404 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.511 0.155 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.246 0.681 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.264 1.619 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.846 1.844 -4.610 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.233 -0.206 -5.216 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.908 -0.412 -6.492 1.00 0.00 C ATOM 1105 C PHE A 107 -5.141 0.916 -7.206 1.00 0.00 C ATOM 1106 O PHE A 107 -5.168 1.975 -6.578 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.242 -1.130 -6.278 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.091 -2.547 -5.802 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.490 -2.822 -4.584 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.549 -3.603 -6.572 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.349 -4.125 -4.144 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.411 -4.908 -6.138 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.812 -5.169 -4.921 1.00 0.00 C ATOM 0 H PHE A 107 -4.687 0.472 -4.604 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.266 -1.032 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.833 -0.572 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.801 -1.127 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.128 -2.009 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.020 -3.404 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.877 -4.326 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.771 -5.722 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.706 -6.187 -4.578 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.308 0.852 -8.522 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.540 2.048 -9.324 1.00 0.00 C ATOM 1125 C LYS A 108 -6.993 2.500 -9.218 1.00 0.00 C ATOM 1126 O LYS A 108 -7.823 1.823 -8.611 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.182 1.784 -10.788 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.743 2.124 -11.133 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.533 2.201 -12.636 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.293 3.008 -12.986 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.242 3.349 -14.434 1.00 0.00 N ATOM 0 H LYS A 108 -5.287 -0.016 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.901 2.843 -8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.362 0.733 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.847 2.366 -11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.474 3.077 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.079 1.370 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.440 1.194 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.407 2.654 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.278 3.925 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.402 2.441 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.322 3.064 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.002 2.847 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.366 4.375 -14.554 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.295 3.649 -9.814 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.648 4.191 -9.790 1.00 0.00 C ATOM 1147 C LYS A 109 -9.597 3.324 -10.612 1.00 0.00 C ATOM 1148 O LYS A 109 -10.590 2.814 -10.095 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.655 5.624 -10.328 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.050 6.190 -10.533 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.562 6.877 -9.278 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.305 5.906 -8.374 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.354 6.385 -6.965 1.00 0.00 N ATOM 0 H LYS A 109 -6.620 4.223 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.992 4.195 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.110 6.266 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.119 5.650 -11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.038 6.901 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.732 5.387 -10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.725 7.314 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.225 7.697 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.320 5.768 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.818 4.932 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.869 5.695 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.386 6.492 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.842 7.303 -6.927 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.282 3.161 -11.893 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.107 2.354 -12.785 1.00 0.00 C ATOM 1169 C GLU A 110 -10.012 0.875 -12.424 1.00 0.00 C ATOM 1170 O GLU A 110 -10.995 0.139 -12.511 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.680 2.564 -14.240 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.343 1.604 -15.213 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.751 2.028 -15.583 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.424 2.655 -14.739 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.179 1.732 -16.719 1.00 0.00 O ATOM 0 H GLU A 110 -8.463 3.576 -12.336 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.143 2.673 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.915 3.587 -14.535 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.598 2.452 -14.312 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.739 1.535 -16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.372 0.608 -14.772 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.821 0.446 -12.019 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.596 -0.946 -11.646 1.00 0.00 C ATOM 1184 C PHE A 111 -8.826 -1.152 -10.152 1.00 0.00 C ATOM 1185 O PHE A 111 -8.382 -2.146 -9.576 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.175 -1.373 -12.019 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.820 -1.089 -13.450 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.411 -1.805 -14.479 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.896 -0.106 -13.767 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.086 -1.546 -15.797 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.567 0.157 -15.084 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.163 -0.563 -16.100 1.00 0.00 C ATOM 0 H PHE A 111 -7.997 1.042 -11.941 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.308 -1.563 -12.194 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.467 -0.859 -11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.064 -2.441 -11.830 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.134 -2.574 -14.248 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.428 0.461 -12.976 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.553 -2.111 -16.590 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.844 0.925 -15.318 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.908 -0.359 -17.129 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.521 -0.206 -9.530 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.811 -0.284 -8.103 1.00 0.00 C ATOM 1204 C ALA A 112 -10.807 -1.401 -7.806 1.00 0.00 C ATOM 1205 O ALA A 112 -11.718 -1.677 -8.586 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.345 1.049 -7.599 1.00 0.00 C ATOM 0 H ALA A 112 -9.894 0.624 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.882 -0.512 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.557 0.976 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.600 1.827 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.260 1.300 -8.135 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.630 -2.059 -6.650 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.503 -3.156 -6.223 1.00 0.00 C ATOM 1214 C PRO A 113 -12.900 -2.673 -5.848 1.00 0.00 C ATOM 1215 O PRO A 113 -13.090 -1.511 -5.491 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.786 -3.724 -4.996 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.978 -2.587 -4.471 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.565 -1.783 -5.672 1.00 0.00 C ATOM 0 HA PRO A 113 -11.659 -3.885 -7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.497 -4.081 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.153 -4.570 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.561 -1.981 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.107 -2.947 -3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.498 -0.720 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.588 -2.090 -6.045 1.00 0.00 H new ATOM 1226 N SER A 114 -13.875 -3.573 -5.931 1.00 0.00 N ATOM 1227 CA SER A 114 -15.255 -3.238 -5.603 1.00 0.00 C ATOM 1228 C SER A 114 -15.537 -3.481 -4.123 1.00 0.00 C ATOM 1229 O SER A 114 -14.762 -4.144 -3.434 1.00 0.00 O ATOM 1230 CB SER A 114 -16.220 -4.060 -6.459 1.00 0.00 C ATOM 1231 OG SER A 114 -16.543 -3.380 -7.659 1.00 0.00 O ATOM 0 H SER A 114 -13.734 -4.540 -6.223 1.00 0.00 H new ATOM 0 HA SER A 114 -15.405 -2.179 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.771 -5.025 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.131 -4.261 -5.895 1.00 0.00 H new ATOM 0 HG SER A 114 -17.160 -3.927 -8.189 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.650 -2.939 -3.643 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.036 -3.097 -2.245 1.00 0.00 C ATOM 1239 C ASP A 115 -17.157 -4.573 -1.878 1.00 0.00 C ATOM 1240 O ASP A 115 -16.368 -5.093 -1.090 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.361 -2.382 -1.976 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.166 -0.934 -1.573 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.381 -0.232 -2.245 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.797 -0.502 -0.585 1.00 0.00 O ATOM 0 H ASP A 115 -17.301 -2.386 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.258 -2.650 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.983 -2.427 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.900 -2.906 -1.187 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.151 -5.242 -2.455 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.375 -6.658 -2.187 1.00 0.00 C ATOM 1251 C GLU A 116 -17.086 -7.456 -2.365 1.00 0.00 C ATOM 1252 O GLU A 116 -16.732 -8.278 -1.521 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.462 -7.209 -3.112 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.844 -6.645 -2.831 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.772 -6.752 -4.025 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.747 -5.842 -4.879 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.523 -7.746 -4.106 1.00 0.00 O ATOM 0 H GLU A 116 -18.813 -4.827 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.704 -6.759 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.193 -6.990 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.495 -8.294 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.283 -7.175 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.753 -5.599 -2.539 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.391 -7.207 -3.470 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.143 -7.903 -3.760 1.00 0.00 C ATOM 1266 C GLU A 117 -14.123 -7.677 -2.648 1.00 0.00 C ATOM 1267 O GLU A 117 -13.461 -8.613 -2.198 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.569 -7.432 -5.098 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.522 -7.613 -6.267 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.829 -7.489 -7.610 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -13.871 -6.694 -7.711 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.244 -8.186 -8.559 1.00 0.00 O ATOM 0 H GLU A 117 -16.671 -6.529 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.358 -8.970 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.301 -6.378 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.649 -7.980 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.996 -8.592 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.316 -6.869 -6.202 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.001 -6.429 -2.211 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.061 -6.078 -1.152 1.00 0.00 C ATOM 1281 C LEU A 118 -13.250 -6.978 0.065 1.00 0.00 C ATOM 1282 O LEU A 118 -12.291 -7.559 0.574 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.240 -4.613 -0.749 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.575 -3.580 -1.659 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.205 -2.210 -1.463 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.077 -3.523 -1.395 1.00 0.00 C ATOM 0 H LEU A 118 -14.541 -5.643 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.051 -6.223 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.307 -4.397 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.848 -4.484 0.260 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.731 -3.883 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.718 -1.488 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.267 -2.260 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.082 -1.898 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.620 -2.783 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.901 -3.245 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.636 -4.501 -1.588 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.491 -7.091 0.524 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.807 -7.924 1.678 1.00 0.00 C ATOM 1300 C ASP A 119 -14.328 -9.356 1.463 1.00 0.00 C ATOM 1301 O ASP A 119 -13.546 -9.885 2.252 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.313 -7.912 1.946 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.652 -8.329 3.364 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.725 -9.549 3.621 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -16.845 -7.436 4.216 1.00 0.00 O ATOM 0 H ASP A 119 -15.295 -6.616 0.114 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.288 -7.513 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.704 -6.911 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.809 -8.583 1.245 1.00 0.00 H new ATOM 1310 N SER A 120 -14.803 -9.978 0.389 1.00 0.00 N ATOM 1311 CA SER A 120 -14.427 -11.351 0.071 1.00 0.00 C ATOM 1312 C SER A 120 -12.916 -11.475 -0.096 1.00 0.00 C ATOM 1313 O SER A 120 -12.325 -12.500 0.244 1.00 0.00 O ATOM 1314 CB SER A 120 -15.133 -11.814 -1.204 1.00 0.00 C ATOM 1315 OG SER A 120 -14.387 -11.462 -2.356 1.00 0.00 O ATOM 0 H SER A 120 -15.449 -9.553 -0.276 1.00 0.00 H new ATOM 0 HA SER A 120 -14.737 -11.988 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.273 -12.895 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.125 -11.365 -1.258 1.00 0.00 H new ATOM 0 HG SER A 120 -14.150 -10.512 -2.315 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.297 -10.425 -0.623 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.855 -10.416 -0.838 1.00 0.00 C ATOM 1323 C TYR A 121 -10.108 -10.682 0.465 1.00 0.00 C ATOM 1324 O TYR A 121 -9.200 -11.513 0.514 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.415 -9.074 -1.427 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.407 -9.050 -2.939 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.624 -9.940 -3.664 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.182 -8.136 -3.642 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.613 -9.921 -5.045 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.178 -8.110 -5.024 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.393 -9.005 -5.720 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.385 -8.982 -7.096 1.00 0.00 O ATOM 0 H TYR A 121 -12.771 -9.569 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.613 -11.212 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -11.081 -8.291 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.415 -8.837 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.013 -10.659 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.798 -7.434 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.998 -10.619 -5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.786 -7.393 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.989 -8.279 -7.415 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.497 -9.971 1.518 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.864 -10.129 2.822 1.00 0.00 C ATOM 1344 C ARG A 122 -10.104 -11.531 3.377 1.00 0.00 C ATOM 1345 O ARG A 122 -9.160 -12.255 3.691 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.398 -9.083 3.802 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.663 -7.754 3.735 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.572 -6.595 4.112 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.819 -5.449 4.614 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.351 -4.248 4.810 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.634 -4.037 4.549 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -9.600 -3.256 5.270 1.00 0.00 N ATOM 0 H ARG A 122 -11.247 -9.280 1.494 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.791 -9.985 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.456 -8.914 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.327 -9.477 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.804 -7.778 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.276 -7.601 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.154 -6.293 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.282 -6.923 4.872 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.830 -5.578 4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -12.215 -4.798 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.040 -3.114 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -8.613 -3.415 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.009 -2.334 5.420 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.374 -11.905 3.494 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.738 -13.218 4.012 1.00 0.00 C ATOM 1368 C ARG A 123 -11.175 -14.327 3.127 1.00 0.00 C ATOM 1369 O ARG A 123 -10.938 -15.443 3.588 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.259 -13.349 4.106 1.00 0.00 C ATOM 1371 CG ARG A 123 -13.981 -13.004 2.813 1.00 0.00 C ATOM 1372 CD ARG A 123 -15.345 -13.672 2.742 1.00 0.00 C ATOM 1373 NE ARG A 123 -16.389 -12.854 3.355 1.00 0.00 N ATOM 1374 CZ ARG A 123 -17.526 -13.349 3.830 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -17.766 -14.651 3.763 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -18.427 -12.540 4.374 1.00 0.00 N ATOM 0 H ARG A 123 -12.167 -11.318 3.237 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.309 -13.319 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.510 -14.371 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.623 -12.698 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -14.100 -11.923 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.376 -13.318 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.600 -13.864 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.301 -14.639 3.243 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.236 -11.848 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -17.076 -15.276 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -18.640 -15.028 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.246 -11.538 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -19.300 -12.921 4.739 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.965 -14.011 1.853 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.432 -14.991 0.924 1.00 0.00 C ATOM 1392 C GLY A 124 -11.522 -15.733 0.177 1.00 0.00 C ATOM 1393 O GLY A 124 -12.580 -16.024 0.735 1.00 0.00 O ATOM 0 H GLY A 124 -11.154 -13.094 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.780 -14.491 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.817 -15.707 1.469 1.00 0.00 H new ATOM 1397 N SER A 125 -11.265 -16.039 -1.091 1.00 0.00 N ATOM 1398 CA SER A 125 -12.235 -16.748 -1.918 1.00 0.00 C ATOM 1399 C SER A 125 -12.233 -18.240 -1.601 1.00 0.00 C ATOM 1400 O SER A 125 -11.223 -18.921 -1.774 1.00 0.00 O ATOM 1401 CB SER A 125 -11.928 -16.529 -3.401 1.00 0.00 C ATOM 1402 OG SER A 125 -10.597 -16.909 -3.708 1.00 0.00 O ATOM 0 H SER A 125 -10.394 -15.807 -1.568 1.00 0.00 H new ATOM 0 HA SER A 125 -13.225 -16.350 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.624 -17.107 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.078 -15.480 -3.656 1.00 0.00 H new ATOM 0 HG SER A 125 -10.329 -17.655 -3.132 1.00 0.00 H new ATOM 1408 N GLY A 126 -13.372 -18.741 -1.134 1.00 0.00 N ATOM 1409 CA GLY A 126 -13.482 -20.149 -0.800 1.00 0.00 C ATOM 1410 C GLY A 126 -14.911 -20.570 -0.523 1.00 0.00 C ATOM 1411 O GLY A 126 -15.664 -19.877 0.162 1.00 0.00 O ATOM 0 H GLY A 126 -14.221 -18.197 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -13.083 -20.746 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.868 -20.360 0.076 1.00 0.00 H new ATOM 1415 N PRO A 127 -15.306 -21.731 -1.067 1.00 0.00 N ATOM 1416 CA PRO A 127 -16.658 -22.269 -0.890 1.00 0.00 C ATOM 1417 C PRO A 127 -16.913 -22.738 0.538 1.00 0.00 C ATOM 1418 O PRO A 127 -16.324 -23.718 0.994 1.00 0.00 O ATOM 1419 CB PRO A 127 -16.698 -23.454 -1.857 1.00 0.00 C ATOM 1420 CG PRO A 127 -15.275 -23.869 -2.007 1.00 0.00 C ATOM 1421 CD PRO A 127 -14.462 -22.608 -1.896 1.00 0.00 C ATOM 0 HA PRO A 127 -17.424 -21.518 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -17.308 -24.267 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -17.130 -23.168 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -14.993 -24.584 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -15.110 -24.357 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.495 -22.793 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -14.265 -22.169 -2.874 1.00 0.00 H new ATOM 1429 N SER A 128 -17.795 -22.033 1.239 1.00 0.00 N ATOM 1430 CA SER A 128 -18.126 -22.375 2.618 1.00 0.00 C ATOM 1431 C SER A 128 -19.030 -23.603 2.670 1.00 0.00 C ATOM 1432 O SER A 128 -20.170 -23.567 2.206 1.00 0.00 O ATOM 1433 CB SER A 128 -18.809 -21.194 3.310 1.00 0.00 C ATOM 1434 OG SER A 128 -20.125 -21.007 2.819 1.00 0.00 O ATOM 0 H SER A 128 -18.294 -21.221 0.875 1.00 0.00 H new ATOM 0 HA SER A 128 -17.198 -22.605 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 128 -18.840 -21.367 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 128 -18.225 -20.287 3.150 1.00 0.00 H new ATOM 0 HG SER A 128 -20.388 -21.784 2.283 1.00 0.00 H new ATOM 1440 N SER A 129 -18.514 -24.687 3.239 1.00 0.00 N ATOM 1441 CA SER A 129 -19.273 -25.927 3.350 1.00 0.00 C ATOM 1442 C SER A 129 -20.466 -25.753 4.285 1.00 0.00 C ATOM 1443 O SER A 129 -21.590 -26.123 3.950 1.00 0.00 O ATOM 1444 CB SER A 129 -18.374 -27.056 3.857 1.00 0.00 C ATOM 1445 OG SER A 129 -17.787 -26.720 5.102 1.00 0.00 O ATOM 0 H SER A 129 -17.573 -24.732 3.630 1.00 0.00 H new ATOM 0 HA SER A 129 -19.646 -26.186 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 129 -18.958 -27.971 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 129 -17.592 -27.259 3.125 1.00 0.00 H new ATOM 0 HG SER A 129 -17.219 -27.458 5.406 1.00 0.00 H new ATOM 1451 N GLY A 130 -20.211 -25.186 5.460 1.00 0.00 N ATOM 1452 CA GLY A 130 -21.272 -24.972 6.426 1.00 0.00 C ATOM 1453 C GLY A 130 -21.669 -23.513 6.538 1.00 0.00 C ATOM 1454 O GLY A 130 -20.929 -22.702 7.096 1.00 0.00 O ATOM 0 H GLY A 130 -19.288 -24.871 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -22.143 -25.561 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -20.949 -25.333 7.402 1.00 0.00 H new TER 1458 GLY A 130