USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 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= -1.5! K(o=-0.22!,f=-3.5) USER MOD Set 1.2: A 92 SER OG : rot 118:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0432 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 -57:sc= 0.178 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 137:sc= -1.85 (180deg=-4.44!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1.8) USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= -0.0196 (180deg=-0.0789) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 73 MET CE :methyl 157:sc= -0.115 (180deg=-0.619) USER MOD Single : A 74 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.065) 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 94 SER OG : rot 41:sc= 0.47 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 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 152:sc= -0.453 (180deg=-1.72!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -45:sc= 0.67 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 24.788 3.062 19.681 1.00 0.00 N ATOM 2 CA GLY A 37 23.930 4.089 20.243 1.00 0.00 C ATOM 3 C GLY A 37 22.517 4.025 19.700 1.00 0.00 C ATOM 4 O GLY A 37 22.296 4.209 18.503 1.00 0.00 O ATOM 0 HA2 GLY A 37 23.904 3.983 21.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 24.354 5.070 20.029 1.00 0.00 H new ATOM 8 N SER A 38 21.557 3.762 20.581 1.00 0.00 N ATOM 9 CA SER A 38 20.157 3.669 20.181 1.00 0.00 C ATOM 10 C SER A 38 19.801 4.772 19.190 1.00 0.00 C ATOM 11 O SER A 38 19.177 4.518 18.159 1.00 0.00 O ATOM 12 CB SER A 38 19.248 3.757 21.408 1.00 0.00 C ATOM 13 OG SER A 38 19.446 4.975 22.104 1.00 0.00 O ATOM 0 H SER A 38 21.723 3.610 21.576 1.00 0.00 H new ATOM 0 HA SER A 38 20.007 2.705 19.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.206 3.677 21.099 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.448 2.918 22.074 1.00 0.00 H new ATOM 0 HG SER A 38 18.852 5.007 22.883 1.00 0.00 H new ATOM 19 N SER A 39 20.201 5.998 19.509 1.00 0.00 N ATOM 20 CA SER A 39 19.922 7.142 18.649 1.00 0.00 C ATOM 21 C SER A 39 21.037 7.339 17.627 1.00 0.00 C ATOM 22 O SER A 39 22.216 7.377 17.977 1.00 0.00 O ATOM 23 CB SER A 39 19.754 8.410 19.490 1.00 0.00 C ATOM 24 OG SER A 39 18.406 8.581 19.892 1.00 0.00 O ATOM 0 H SER A 39 20.720 6.225 20.357 1.00 0.00 H new ATOM 0 HA SER A 39 18.994 6.944 18.113 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.395 8.354 20.370 1.00 0.00 H new ATOM 0 HB3 SER A 39 20.078 9.277 18.915 1.00 0.00 H new ATOM 0 HG SER A 39 18.326 9.397 20.429 1.00 0.00 H new ATOM 30 N GLY A 40 20.654 7.464 16.360 1.00 0.00 N ATOM 31 CA GLY A 40 21.633 7.656 15.305 1.00 0.00 C ATOM 32 C GLY A 40 20.994 8.029 13.982 1.00 0.00 C ATOM 33 O GLY A 40 19.813 8.374 13.931 1.00 0.00 O ATOM 0 H GLY A 40 19.684 7.436 16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 40 22.332 8.438 15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.212 6.741 15.180 1.00 0.00 H new ATOM 37 N SER A 41 21.775 7.961 12.909 1.00 0.00 N ATOM 38 CA SER A 41 21.280 8.300 11.580 1.00 0.00 C ATOM 39 C SER A 41 20.476 7.146 10.990 1.00 0.00 C ATOM 40 O SER A 41 20.631 5.995 11.397 1.00 0.00 O ATOM 41 CB SER A 41 22.445 8.652 10.653 1.00 0.00 C ATOM 42 OG SER A 41 23.132 9.803 11.113 1.00 0.00 O ATOM 0 H SER A 41 22.754 7.674 12.934 1.00 0.00 H new ATOM 0 HA SER A 41 20.625 9.166 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 41 23.136 7.811 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.071 8.826 9.644 1.00 0.00 H new ATOM 0 HG SER A 41 23.873 10.007 10.505 1.00 0.00 H new ATOM 48 N SER A 42 19.617 7.463 10.027 1.00 0.00 N ATOM 49 CA SER A 42 18.785 6.455 9.381 1.00 0.00 C ATOM 50 C SER A 42 17.759 5.890 10.359 1.00 0.00 C ATOM 51 O SER A 42 17.515 4.684 10.394 1.00 0.00 O ATOM 52 CB SER A 42 19.654 5.324 8.827 1.00 0.00 C ATOM 53 OG SER A 42 18.921 4.511 7.927 1.00 0.00 O ATOM 0 H SER A 42 19.479 8.411 9.677 1.00 0.00 H new ATOM 0 HA SER A 42 18.253 6.932 8.558 1.00 0.00 H new ATOM 0 HB2 SER A 42 20.522 5.744 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 42 20.030 4.714 9.649 1.00 0.00 H new ATOM 0 HG SER A 42 18.126 4.158 8.378 1.00 0.00 H new ATOM 59 N GLY A 43 17.160 6.772 11.154 1.00 0.00 N ATOM 60 CA GLY A 43 16.168 6.343 12.123 1.00 0.00 C ATOM 61 C GLY A 43 14.960 7.259 12.159 1.00 0.00 C ATOM 62 O GLY A 43 14.523 7.677 13.230 1.00 0.00 O ATOM 0 H GLY A 43 17.344 7.775 11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.845 5.330 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.623 6.307 13.113 1.00 0.00 H new ATOM 66 N GLN A 44 14.421 7.571 10.985 1.00 0.00 N ATOM 67 CA GLN A 44 13.258 8.445 10.887 1.00 0.00 C ATOM 68 C GLN A 44 12.267 7.918 9.854 1.00 0.00 C ATOM 69 O GLN A 44 12.542 6.943 9.155 1.00 0.00 O ATOM 70 CB GLN A 44 13.690 9.865 10.518 1.00 0.00 C ATOM 71 CG GLN A 44 14.488 10.561 11.610 1.00 0.00 C ATOM 72 CD GLN A 44 14.374 12.071 11.543 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.108 12.639 10.483 1.00 0.00 O ATOM 74 NE2 GLN A 44 14.575 12.731 12.677 1.00 0.00 N ATOM 0 H GLN A 44 14.771 7.232 10.089 1.00 0.00 H new ATOM 0 HA GLN A 44 12.766 8.464 11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.289 9.829 9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.804 10.458 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.140 10.217 12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.537 10.275 11.527 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.793 12.220 13.533 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.511 13.749 12.693 1.00 0.00 H new ATOM 83 N LYS A 45 11.112 8.569 9.765 1.00 0.00 N ATOM 84 CA LYS A 45 10.079 8.168 8.817 1.00 0.00 C ATOM 85 C LYS A 45 10.345 8.762 7.438 1.00 0.00 C ATOM 86 O LYS A 45 10.141 8.105 6.418 1.00 0.00 O ATOM 87 CB LYS A 45 8.701 8.609 9.317 1.00 0.00 C ATOM 88 CG LYS A 45 8.092 7.663 10.337 1.00 0.00 C ATOM 89 CD LYS A 45 8.518 8.018 11.751 1.00 0.00 C ATOM 90 CE LYS A 45 8.165 6.912 12.734 1.00 0.00 C ATOM 91 NZ LYS A 45 8.789 7.136 14.068 1.00 0.00 N ATOM 0 H LYS A 45 10.868 9.377 10.338 1.00 0.00 H new ATOM 0 HA LYS A 45 10.099 7.081 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.785 9.602 9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.026 8.696 8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.005 7.698 10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.393 6.640 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.593 8.197 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.034 8.946 12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.082 6.856 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.495 5.953 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.525 6.361 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.824 7.164 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.455 8.039 14.460 1.00 0.00 H new ATOM 105 N VAL A 46 10.803 10.010 7.414 1.00 0.00 N ATOM 106 CA VAL A 46 11.100 10.692 6.160 1.00 0.00 C ATOM 107 C VAL A 46 11.636 9.716 5.118 1.00 0.00 C ATOM 108 O VAL A 46 11.006 9.489 4.086 1.00 0.00 O ATOM 109 CB VAL A 46 12.126 11.822 6.365 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.618 12.347 5.024 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.524 12.944 7.197 1.00 0.00 C ATOM 0 H VAL A 46 10.976 10.569 8.249 1.00 0.00 H new ATOM 0 HA VAL A 46 10.164 11.122 5.804 1.00 0.00 H new ATOM 0 HB VAL A 46 12.982 11.418 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.342 13.145 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.090 11.538 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.774 12.735 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.263 13.734 7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.650 13.348 6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.227 12.555 8.171 1.00 0.00 H new ATOM 121 N GLU A 47 12.803 9.143 5.397 1.00 0.00 N ATOM 122 CA GLU A 47 13.423 8.192 4.482 1.00 0.00 C ATOM 123 C GLU A 47 12.366 7.352 3.770 1.00 0.00 C ATOM 124 O GLU A 47 12.317 7.307 2.541 1.00 0.00 O ATOM 125 CB GLU A 47 14.390 7.279 5.239 1.00 0.00 C ATOM 126 CG GLU A 47 15.675 7.970 5.661 1.00 0.00 C ATOM 127 CD GLU A 47 16.703 8.021 4.547 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.573 8.888 3.658 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.638 7.193 4.566 1.00 0.00 O ATOM 0 H GLU A 47 13.337 9.321 6.248 1.00 0.00 H new ATOM 0 HA GLU A 47 13.978 8.757 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.889 6.889 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.637 6.424 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.447 8.985 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.099 7.448 6.518 1.00 0.00 H new ATOM 136 N PHE A 48 11.521 6.688 4.552 1.00 0.00 N ATOM 137 CA PHE A 48 10.465 5.849 3.997 1.00 0.00 C ATOM 138 C PHE A 48 9.461 6.687 3.212 1.00 0.00 C ATOM 139 O PHE A 48 9.106 6.351 2.081 1.00 0.00 O ATOM 140 CB PHE A 48 9.749 5.089 5.115 1.00 0.00 C ATOM 141 CG PHE A 48 8.628 4.218 4.625 1.00 0.00 C ATOM 142 CD1 PHE A 48 8.885 3.131 3.805 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.317 4.485 4.985 1.00 0.00 C ATOM 144 CE1 PHE A 48 7.855 2.328 3.352 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.282 3.686 4.535 1.00 0.00 C ATOM 146 CZ PHE A 48 6.552 2.606 3.718 1.00 0.00 C ATOM 0 H PHE A 48 11.547 6.715 5.571 1.00 0.00 H new ATOM 0 HA PHE A 48 10.924 5.132 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.474 4.471 5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.354 5.805 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.902 2.909 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.101 5.328 5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.069 1.484 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.264 3.906 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.746 1.980 3.366 1.00 0.00 H new ATOM 156 N ARG A 49 9.006 7.778 3.819 1.00 0.00 N ATOM 157 CA ARG A 49 8.041 8.663 3.178 1.00 0.00 C ATOM 158 C ARG A 49 8.471 8.995 1.753 1.00 0.00 C ATOM 159 O ARG A 49 7.832 8.578 0.786 1.00 0.00 O ATOM 160 CB ARG A 49 7.882 9.951 3.988 1.00 0.00 C ATOM 161 CG ARG A 49 6.693 10.796 3.561 1.00 0.00 C ATOM 162 CD ARG A 49 6.198 11.676 4.698 1.00 0.00 C ATOM 163 NE ARG A 49 5.199 12.641 4.248 1.00 0.00 N ATOM 164 CZ ARG A 49 4.789 13.670 4.981 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.290 13.867 6.193 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.876 14.506 4.502 1.00 0.00 N ATOM 0 H ARG A 49 9.290 8.070 4.754 1.00 0.00 H new ATOM 0 HA ARG A 49 7.082 8.146 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.776 9.696 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.791 10.544 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.975 11.420 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.885 10.146 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.770 11.050 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.042 12.207 5.139 1.00 0.00 H new ATOM 0 HE ARG A 49 4.794 12.518 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.992 13.227 6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.973 14.658 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.488 14.359 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.562 15.296 5.066 1.00 0.00 H new ATOM 180 N LYS A 50 9.558 9.748 1.628 1.00 0.00 N ATOM 181 CA LYS A 50 10.076 10.137 0.322 1.00 0.00 C ATOM 182 C LYS A 50 10.236 8.920 -0.584 1.00 0.00 C ATOM 183 O LYS A 50 9.964 8.986 -1.782 1.00 0.00 O ATOM 184 CB LYS A 50 11.420 10.852 0.475 1.00 0.00 C ATOM 185 CG LYS A 50 12.405 10.113 1.363 1.00 0.00 C ATOM 186 CD LYS A 50 13.838 10.522 1.068 1.00 0.00 C ATOM 187 CE LYS A 50 14.166 11.878 1.672 1.00 0.00 C ATOM 188 NZ LYS A 50 15.536 12.333 1.304 1.00 0.00 N ATOM 0 H LYS A 50 10.099 10.102 2.417 1.00 0.00 H new ATOM 0 HA LYS A 50 9.359 10.818 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.864 10.988 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.248 11.846 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.176 10.316 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.295 9.039 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.521 9.771 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.993 10.556 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.436 12.613 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.081 11.822 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.721 13.261 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.235 11.645 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.610 12.411 0.270 1.00 0.00 H new ATOM 202 N ARG A 51 10.677 7.809 -0.002 1.00 0.00 N ATOM 203 CA ARG A 51 10.873 6.577 -0.757 1.00 0.00 C ATOM 204 C ARG A 51 9.565 6.116 -1.393 1.00 0.00 C ATOM 205 O ARG A 51 9.527 5.764 -2.571 1.00 0.00 O ATOM 206 CB ARG A 51 11.425 5.479 0.153 1.00 0.00 C ATOM 207 CG ARG A 51 11.856 4.228 -0.595 1.00 0.00 C ATOM 208 CD ARG A 51 12.206 3.099 0.362 1.00 0.00 C ATOM 209 NE ARG A 51 12.970 2.041 -0.295 1.00 0.00 N ATOM 210 CZ ARG A 51 14.288 2.078 -0.455 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.985 3.113 -0.007 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.911 1.076 -1.063 1.00 0.00 N ATOM 0 H ARG A 51 10.905 7.737 0.990 1.00 0.00 H new ATOM 0 HA ARG A 51 11.593 6.777 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.277 5.872 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.665 5.210 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.055 3.907 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.719 4.456 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.782 3.497 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.290 2.680 0.778 1.00 0.00 H new ATOM 0 HE ARG A 51 12.464 1.230 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.509 3.884 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.997 3.139 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.378 0.278 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.923 1.104 -1.186 1.00 0.00 H new ATOM 226 N MET A 52 8.495 6.120 -0.604 1.00 0.00 N ATOM 227 CA MET A 52 7.186 5.703 -1.090 1.00 0.00 C ATOM 228 C MET A 52 6.695 6.631 -2.197 1.00 0.00 C ATOM 229 O MET A 52 6.133 6.180 -3.194 1.00 0.00 O ATOM 230 CB MET A 52 6.175 5.680 0.058 1.00 0.00 C ATOM 231 CG MET A 52 6.501 4.658 1.135 1.00 0.00 C ATOM 232 SD MET A 52 6.595 2.977 0.491 1.00 0.00 S ATOM 233 CE MET A 52 8.298 2.921 -0.063 1.00 0.00 C ATOM 0 H MET A 52 8.510 6.408 0.375 1.00 0.00 H new ATOM 0 HA MET A 52 7.282 4.698 -1.500 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.129 6.671 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.185 5.468 -0.345 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.451 4.918 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.741 4.702 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.744 1.970 0.227 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.331 3.021 -1.148 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.856 3.738 0.394 1.00 0.00 H new ATOM 243 N GLU A 53 6.911 7.930 -2.013 1.00 0.00 N ATOM 244 CA GLU A 53 6.490 8.921 -2.996 1.00 0.00 C ATOM 245 C GLU A 53 7.069 8.603 -4.371 1.00 0.00 C ATOM 246 O GLU A 53 6.360 8.630 -5.378 1.00 0.00 O ATOM 247 CB GLU A 53 6.923 10.322 -2.559 1.00 0.00 C ATOM 248 CG GLU A 53 6.508 10.672 -1.140 1.00 0.00 C ATOM 249 CD GLU A 53 6.264 12.157 -0.953 1.00 0.00 C ATOM 250 OE1 GLU A 53 5.400 12.712 -1.663 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.939 12.765 -0.095 1.00 0.00 O ATOM 0 H GLU A 53 7.375 8.320 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 53 5.403 8.890 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.007 10.400 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.497 11.055 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.601 10.124 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.284 10.345 -0.447 1.00 0.00 H new ATOM 258 N LYS A 54 8.363 8.303 -4.407 1.00 0.00 N ATOM 259 CA LYS A 54 9.040 7.980 -5.657 1.00 0.00 C ATOM 260 C LYS A 54 8.448 6.723 -6.287 1.00 0.00 C ATOM 261 O LYS A 54 8.136 6.703 -7.477 1.00 0.00 O ATOM 262 CB LYS A 54 10.538 7.784 -5.414 1.00 0.00 C ATOM 263 CG LYS A 54 11.349 7.649 -6.691 1.00 0.00 C ATOM 264 CD LYS A 54 11.698 9.008 -7.275 1.00 0.00 C ATOM 265 CE LYS A 54 11.982 8.917 -8.766 1.00 0.00 C ATOM 266 NZ LYS A 54 13.357 8.415 -9.040 1.00 0.00 N ATOM 0 H LYS A 54 8.964 8.277 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 54 8.896 8.813 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.918 8.629 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.685 6.893 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.264 7.094 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.784 7.071 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.875 9.702 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.570 9.413 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.254 8.255 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.857 9.900 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.511 8.368 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.053 9.060 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.468 7.466 -8.629 1.00 0.00 H new ATOM 280 N GLU A 55 8.294 5.678 -5.480 1.00 0.00 N ATOM 281 CA GLU A 55 7.738 4.418 -5.960 1.00 0.00 C ATOM 282 C GLU A 55 6.308 4.609 -6.457 1.00 0.00 C ATOM 283 O GLU A 55 6.025 4.451 -7.644 1.00 0.00 O ATOM 284 CB GLU A 55 7.768 3.366 -4.849 1.00 0.00 C ATOM 285 CG GLU A 55 9.066 2.578 -4.792 1.00 0.00 C ATOM 286 CD GLU A 55 9.092 1.425 -5.776 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.655 1.620 -6.930 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.550 0.328 -5.394 1.00 0.00 O ATOM 0 H GLU A 55 8.546 5.679 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 55 8.351 4.073 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.609 3.858 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.938 2.674 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.902 3.246 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.209 2.192 -3.782 1.00 0.00 H new ATOM 295 N VAL A 56 5.409 4.949 -5.538 1.00 0.00 N ATOM 296 CA VAL A 56 4.008 5.162 -5.882 1.00 0.00 C ATOM 297 C VAL A 56 3.873 5.894 -7.212 1.00 0.00 C ATOM 298 O VAL A 56 3.228 5.404 -8.139 1.00 0.00 O ATOM 299 CB VAL A 56 3.278 5.966 -4.790 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.885 6.359 -5.257 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.211 5.169 -3.496 1.00 0.00 C ATOM 0 H VAL A 56 5.626 5.083 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 56 3.550 4.177 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 56 3.841 6.879 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.385 6.926 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.962 6.972 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.309 5.461 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.692 5.753 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.672 4.238 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.221 4.945 -3.154 1.00 0.00 H new ATOM 311 N SER A 57 4.487 7.070 -7.299 1.00 0.00 N ATOM 312 CA SER A 57 4.433 7.872 -8.516 1.00 0.00 C ATOM 313 C SER A 57 4.752 7.021 -9.742 1.00 0.00 C ATOM 314 O SER A 57 3.952 6.929 -10.672 1.00 0.00 O ATOM 315 CB SER A 57 5.414 9.042 -8.424 1.00 0.00 C ATOM 316 OG SER A 57 5.028 10.100 -9.284 1.00 0.00 O ATOM 0 H SER A 57 5.027 7.488 -6.542 1.00 0.00 H new ATOM 0 HA SER A 57 3.421 8.263 -8.620 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.459 9.403 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.416 8.702 -8.687 1.00 0.00 H new ATOM 0 HG SER A 57 5.670 10.836 -9.205 1.00 0.00 H new ATOM 322 N ASP A 58 5.928 6.402 -9.735 1.00 0.00 N ATOM 323 CA ASP A 58 6.354 5.558 -10.845 1.00 0.00 C ATOM 324 C ASP A 58 5.239 4.604 -11.261 1.00 0.00 C ATOM 325 O ASP A 58 4.985 4.411 -12.451 1.00 0.00 O ATOM 326 CB ASP A 58 7.603 4.764 -10.459 1.00 0.00 C ATOM 327 CG ASP A 58 8.149 3.948 -11.614 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.346 3.513 -12.465 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.380 3.743 -11.667 1.00 0.00 O ATOM 0 H ASP A 58 6.603 6.469 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 58 6.590 6.204 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.373 5.451 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.365 4.099 -9.628 1.00 0.00 H new ATOM 334 N PHE A 59 4.577 4.009 -10.275 1.00 0.00 N ATOM 335 CA PHE A 59 3.490 3.073 -10.539 1.00 0.00 C ATOM 336 C PHE A 59 2.323 3.775 -11.228 1.00 0.00 C ATOM 337 O PHE A 59 1.704 3.224 -12.139 1.00 0.00 O ATOM 338 CB PHE A 59 3.014 2.431 -9.234 1.00 0.00 C ATOM 339 CG PHE A 59 1.621 1.874 -9.314 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.521 2.695 -9.127 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.412 0.529 -9.575 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.762 2.186 -9.200 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.132 0.015 -9.649 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.957 0.843 -9.460 1.00 0.00 C ATOM 0 H PHE A 59 4.774 4.158 -9.285 1.00 0.00 H new ATOM 0 HA PHE A 59 3.867 2.295 -11.203 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.702 1.631 -8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.055 3.173 -8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.668 3.745 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.259 -0.124 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.611 2.837 -9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.017 -1.035 -9.855 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.958 0.442 -9.515 1.00 0.00 H new ATOM 354 N ILE A 60 2.029 4.993 -10.787 1.00 0.00 N ATOM 355 CA ILE A 60 0.938 5.771 -11.362 1.00 0.00 C ATOM 356 C ILE A 60 1.109 5.926 -12.869 1.00 0.00 C ATOM 357 O ILE A 60 0.193 5.637 -13.640 1.00 0.00 O ATOM 358 CB ILE A 60 0.844 7.168 -10.720 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.411 7.053 -9.257 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.127 8.043 -11.498 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.638 8.317 -8.459 1.00 0.00 C ATOM 0 H ILE A 60 2.531 5.463 -10.033 1.00 0.00 H new ATOM 0 HA ILE A 60 0.018 5.224 -11.158 1.00 0.00 H new ATOM 0 HB ILE A 60 1.829 7.634 -10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.647 6.794 -9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.957 6.234 -8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.183 9.027 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.220 8.147 -12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.115 7.583 -11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.308 8.163 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.699 8.566 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.070 9.135 -8.903 1.00 0.00 H new ATOM 373 N GLN A 61 2.287 6.383 -13.282 1.00 0.00 N ATOM 374 CA GLN A 61 2.577 6.576 -14.698 1.00 0.00 C ATOM 375 C GLN A 61 2.460 5.261 -15.461 1.00 0.00 C ATOM 376 O GLN A 61 1.905 5.216 -16.559 1.00 0.00 O ATOM 377 CB GLN A 61 3.979 7.161 -14.878 1.00 0.00 C ATOM 378 CG GLN A 61 4.188 8.475 -14.143 1.00 0.00 C ATOM 379 CD GLN A 61 5.628 8.947 -14.190 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.429 8.454 -14.985 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.965 9.907 -13.337 1.00 0.00 N ATOM 0 H GLN A 61 3.055 6.626 -12.657 1.00 0.00 H new ATOM 0 HA GLN A 61 1.845 7.276 -15.101 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.714 6.437 -14.527 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.166 7.315 -15.941 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.545 9.238 -14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.882 8.358 -13.103 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.269 10.287 -12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.920 10.265 -13.323 1.00 0.00 H new ATOM 390 N ASP A 62 2.988 4.192 -14.874 1.00 0.00 N ATOM 391 CA ASP A 62 2.942 2.875 -15.498 1.00 0.00 C ATOM 392 C ASP A 62 1.501 2.434 -15.732 1.00 0.00 C ATOM 393 O ASP A 62 0.710 2.339 -14.794 1.00 0.00 O ATOM 394 CB ASP A 62 3.668 1.849 -14.627 1.00 0.00 C ATOM 395 CG ASP A 62 4.288 0.732 -15.443 1.00 0.00 C ATOM 396 OD1 ASP A 62 3.574 -0.247 -15.749 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.487 0.836 -15.776 1.00 0.00 O ATOM 0 H ASP A 62 3.453 4.212 -13.966 1.00 0.00 H new ATOM 0 HA ASP A 62 3.444 2.940 -16.464 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.447 2.351 -14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.966 1.424 -13.909 1.00 0.00 H new ATOM 402 N SER A 63 1.166 2.168 -16.991 1.00 0.00 N ATOM 403 CA SER A 63 -0.182 1.742 -17.349 1.00 0.00 C ATOM 404 C SER A 63 -0.355 0.243 -17.127 1.00 0.00 C ATOM 405 O SER A 63 -1.253 -0.190 -16.406 1.00 0.00 O ATOM 406 CB SER A 63 -0.478 2.090 -18.809 1.00 0.00 C ATOM 407 OG SER A 63 -1.853 1.913 -19.107 1.00 0.00 O ATOM 0 H SER A 63 1.809 2.240 -17.779 1.00 0.00 H new ATOM 0 HA SER A 63 -0.886 2.270 -16.706 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.190 3.123 -19.006 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.123 1.461 -19.465 1.00 0.00 H new ATOM 0 HG SER A 63 -2.017 2.144 -20.045 1.00 0.00 H new ATOM 413 N GLY A 64 0.514 -0.546 -17.752 1.00 0.00 N ATOM 414 CA GLY A 64 0.441 -1.989 -17.611 1.00 0.00 C ATOM 415 C GLY A 64 0.155 -2.418 -16.185 1.00 0.00 C ATOM 416 O GLY A 64 -0.612 -3.353 -15.954 1.00 0.00 O ATOM 0 H GLY A 64 1.267 -0.212 -18.353 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.339 -2.376 -18.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.382 -2.431 -17.939 1.00 0.00 H new ATOM 420 N GLN A 65 0.774 -1.735 -15.228 1.00 0.00 N ATOM 421 CA GLN A 65 0.583 -2.053 -13.818 1.00 0.00 C ATOM 422 C GLN A 65 -0.749 -1.509 -13.312 1.00 0.00 C ATOM 423 O GLN A 65 -0.988 -0.301 -13.340 1.00 0.00 O ATOM 424 CB GLN A 65 1.731 -1.481 -12.984 1.00 0.00 C ATOM 425 CG GLN A 65 3.018 -2.282 -13.090 1.00 0.00 C ATOM 426 CD GLN A 65 4.242 -1.473 -12.707 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.432 -1.127 -11.541 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.080 -1.167 -13.691 1.00 0.00 N ATOM 0 H GLN A 65 1.412 -0.958 -15.403 1.00 0.00 H new ATOM 0 HA GLN A 65 0.574 -3.138 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.924 -0.456 -13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.424 -1.439 -11.939 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.950 -3.158 -12.446 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.132 -2.645 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.883 -1.475 -14.643 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.921 -0.624 -13.494 1.00 0.00 H new ATOM 437 N ILE A 66 -1.613 -2.407 -12.852 1.00 0.00 N ATOM 438 CA ILE A 66 -2.921 -2.017 -12.340 1.00 0.00 C ATOM 439 C ILE A 66 -2.913 -1.934 -10.817 1.00 0.00 C ATOM 440 O ILE A 66 -3.741 -1.249 -10.217 1.00 0.00 O ATOM 441 CB ILE A 66 -4.017 -3.003 -12.784 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.681 -4.419 -12.310 1.00 0.00 C ATOM 443 CG2 ILE A 66 -4.179 -2.969 -14.296 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.871 -5.353 -12.307 1.00 0.00 C ATOM 0 H ILE A 66 -1.431 -3.410 -12.823 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.141 -1.033 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.962 -2.703 -12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.905 -4.834 -12.953 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.267 -4.368 -11.303 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.957 -3.671 -14.594 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.458 -1.963 -14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.238 -3.248 -14.769 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.559 -6.338 -11.960 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.640 -4.960 -11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.272 -5.434 -13.317 1.00 0.00 H new ATOM 456 N LYS A 67 -1.970 -2.636 -10.197 1.00 0.00 N ATOM 457 CA LYS A 67 -1.850 -2.641 -8.744 1.00 0.00 C ATOM 458 C LYS A 67 -0.393 -2.788 -8.319 1.00 0.00 C ATOM 459 O LYS A 67 0.482 -3.055 -9.143 1.00 0.00 O ATOM 460 CB LYS A 67 -2.683 -3.777 -8.147 1.00 0.00 C ATOM 461 CG LYS A 67 -2.224 -5.159 -8.577 1.00 0.00 C ATOM 462 CD LYS A 67 -2.827 -6.245 -7.701 1.00 0.00 C ATOM 463 CE LYS A 67 -4.164 -6.722 -8.247 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.997 -7.580 -9.452 1.00 0.00 N ATOM 0 H LYS A 67 -1.277 -3.209 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.225 -1.688 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.644 -3.712 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.725 -3.643 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.506 -5.330 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.136 -5.213 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.138 -7.087 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.961 -5.865 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.693 -7.280 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.782 -5.860 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.783 -7.410 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.097 -7.350 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.994 -8.580 -9.168 1.00 0.00 H new ATOM 478 N LYS A 68 -0.138 -2.612 -7.027 1.00 0.00 N ATOM 479 CA LYS A 68 1.213 -2.727 -6.490 1.00 0.00 C ATOM 480 C LYS A 68 1.197 -3.371 -5.108 1.00 0.00 C ATOM 481 O LYS A 68 0.513 -2.899 -4.200 1.00 0.00 O ATOM 482 CB LYS A 68 1.874 -1.349 -6.415 1.00 0.00 C ATOM 483 CG LYS A 68 3.276 -1.377 -5.832 1.00 0.00 C ATOM 484 CD LYS A 68 4.330 -1.487 -6.922 1.00 0.00 C ATOM 485 CE LYS A 68 5.547 -2.263 -6.444 1.00 0.00 C ATOM 486 NZ LYS A 68 6.557 -2.433 -7.525 1.00 0.00 N ATOM 0 H LYS A 68 -0.850 -2.389 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 68 1.790 -3.364 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.915 -0.920 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.251 -0.689 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.447 -0.472 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.370 -2.220 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.902 -1.980 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.634 -0.489 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.002 -1.742 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.234 -3.242 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.371 -2.967 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.131 -2.952 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.875 -1.499 -7.853 1.00 0.00 H new ATOM 500 N LYS A 69 1.955 -4.452 -4.954 1.00 0.00 N ATOM 501 CA LYS A 69 2.030 -5.160 -3.682 1.00 0.00 C ATOM 502 C LYS A 69 3.263 -4.731 -2.893 1.00 0.00 C ATOM 503 O LYS A 69 4.381 -5.153 -3.190 1.00 0.00 O ATOM 504 CB LYS A 69 2.062 -6.672 -3.917 1.00 0.00 C ATOM 505 CG LYS A 69 2.174 -7.484 -2.638 1.00 0.00 C ATOM 506 CD LYS A 69 1.504 -8.840 -2.779 1.00 0.00 C ATOM 507 CE LYS A 69 1.855 -9.758 -1.618 1.00 0.00 C ATOM 508 NZ LYS A 69 1.429 -11.162 -1.873 1.00 0.00 N ATOM 0 H LYS A 69 2.526 -4.857 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 69 1.143 -4.908 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.157 -6.968 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.905 -6.913 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.225 -7.621 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.716 -6.934 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.423 -8.710 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.811 -9.303 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.931 -9.731 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.377 -9.393 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.686 -11.756 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.399 -11.192 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.904 -11.520 -2.726 1.00 0.00 H new ATOM 522 N PHE A 70 3.052 -3.892 -1.884 1.00 0.00 N ATOM 523 CA PHE A 70 4.147 -3.406 -1.052 1.00 0.00 C ATOM 524 C PHE A 70 4.494 -4.419 0.035 1.00 0.00 C ATOM 525 O PHE A 70 3.619 -5.114 0.552 1.00 0.00 O ATOM 526 CB PHE A 70 3.776 -2.065 -0.415 1.00 0.00 C ATOM 527 CG PHE A 70 3.920 -0.898 -1.349 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.156 -0.568 -1.881 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.820 -0.130 -1.695 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.293 0.506 -2.740 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.950 0.944 -2.554 1.00 0.00 C ATOM 532 CZ PHE A 70 4.188 1.263 -3.077 1.00 0.00 C ATOM 0 H PHE A 70 2.133 -3.535 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 70 5.021 -3.268 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.746 -2.112 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.406 -1.900 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.023 -1.157 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.850 -0.374 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.262 0.753 -3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.084 1.534 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.292 2.103 -3.748 1.00 0.00 H new ATOM 542 N GLN A 71 5.776 -4.498 0.375 1.00 0.00 N ATOM 543 CA GLN A 71 6.239 -5.427 1.399 1.00 0.00 C ATOM 544 C GLN A 71 6.262 -4.758 2.770 1.00 0.00 C ATOM 545 O GLN A 71 6.663 -3.604 2.918 1.00 0.00 O ATOM 546 CB GLN A 71 7.634 -5.949 1.050 1.00 0.00 C ATOM 547 CG GLN A 71 8.188 -6.932 2.070 1.00 0.00 C ATOM 548 CD GLN A 71 9.690 -7.104 1.958 1.00 0.00 C ATOM 549 OE1 GLN A 71 10.304 -6.680 0.978 1.00 0.00 O ATOM 550 NE2 GLN A 71 10.291 -7.729 2.963 1.00 0.00 N ATOM 0 H GLN A 71 6.513 -3.930 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 71 5.543 -6.265 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.598 -6.432 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.318 -5.105 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.939 -6.587 3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.704 -7.900 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.743 -8.064 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.300 -7.874 2.943 1.00 0.00 H new ATOM 559 N PRO A 72 5.821 -5.500 3.797 1.00 0.00 N ATOM 560 CA PRO A 72 5.780 -4.999 5.174 1.00 0.00 C ATOM 561 C PRO A 72 7.174 -4.827 5.770 1.00 0.00 C ATOM 562 O PRO A 72 7.717 -5.749 6.377 1.00 0.00 O ATOM 563 CB PRO A 72 5.009 -6.088 5.925 1.00 0.00 C ATOM 564 CG PRO A 72 5.229 -7.326 5.127 1.00 0.00 C ATOM 565 CD PRO A 72 5.328 -6.883 3.693 1.00 0.00 C ATOM 0 HA PRO A 72 5.320 -4.013 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.378 -6.203 6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.949 -5.845 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.139 -7.836 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.407 -8.029 5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.013 -7.512 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.362 -6.929 3.191 1.00 0.00 H new ATOM 573 N MET A 73 7.746 -3.641 5.591 1.00 0.00 N ATOM 574 CA MET A 73 9.076 -3.348 6.113 1.00 0.00 C ATOM 575 C MET A 73 8.998 -2.851 7.553 1.00 0.00 C ATOM 576 O MET A 73 9.804 -3.238 8.398 1.00 0.00 O ATOM 577 CB MET A 73 9.772 -2.305 5.237 1.00 0.00 C ATOM 578 CG MET A 73 10.520 -2.903 4.057 1.00 0.00 C ATOM 579 SD MET A 73 9.430 -3.314 2.680 1.00 0.00 S ATOM 580 CE MET A 73 8.969 -1.678 2.114 1.00 0.00 C ATOM 0 H MET A 73 7.310 -2.868 5.089 1.00 0.00 H new ATOM 0 HA MET A 73 9.657 -4.270 6.098 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.028 -1.600 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.472 -1.737 5.850 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.278 -2.198 3.717 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.044 -3.802 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.655 -1.729 1.072 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.148 -1.300 2.723 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.824 -1.008 2.203 1.00 0.00 H new ATOM 590 N ASN A 74 8.022 -1.990 7.825 1.00 0.00 N ATOM 591 CA ASN A 74 7.840 -1.439 9.163 1.00 0.00 C ATOM 592 C ASN A 74 6.403 -1.631 9.639 1.00 0.00 C ATOM 593 O ASN A 74 5.556 -2.140 8.905 1.00 0.00 O ATOM 594 CB ASN A 74 8.200 0.048 9.178 1.00 0.00 C ATOM 595 CG ASN A 74 9.699 0.280 9.184 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.237 0.912 10.093 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.381 -0.232 8.166 1.00 0.00 N ATOM 0 H ASN A 74 7.346 -1.659 7.137 1.00 0.00 H new ATOM 0 HA ASN A 74 8.504 -1.973 9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.763 0.534 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.759 0.517 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.392 -0.108 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.894 -0.749 7.434 1.00 0.00 H new ATOM 604 N LYS A 75 6.135 -1.219 10.873 1.00 0.00 N ATOM 605 CA LYS A 75 4.801 -1.342 11.449 1.00 0.00 C ATOM 606 C LYS A 75 3.974 -0.090 11.178 1.00 0.00 C ATOM 607 O LYS A 75 2.747 -0.154 11.084 1.00 0.00 O ATOM 608 CB LYS A 75 4.895 -1.588 12.956 1.00 0.00 C ATOM 609 CG LYS A 75 5.213 -3.028 13.319 1.00 0.00 C ATOM 610 CD LYS A 75 5.594 -3.164 14.784 1.00 0.00 C ATOM 611 CE LYS A 75 7.006 -2.662 15.041 1.00 0.00 C ATOM 612 NZ LYS A 75 7.318 -2.603 16.496 1.00 0.00 N ATOM 0 H LYS A 75 6.825 -0.796 11.494 1.00 0.00 H new ATOM 0 HA LYS A 75 4.306 -2.192 10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.664 -0.938 13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.951 -1.305 13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.348 -3.657 13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.030 -3.389 12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.890 -2.603 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.517 -4.209 15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.721 -3.317 14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.124 -1.670 14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.289 -2.256 16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.652 -1.958 16.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.230 -3.554 16.909 1.00 0.00 H new ATOM 626 N ILE A 76 4.651 1.046 11.052 1.00 0.00 N ATOM 627 CA ILE A 76 3.978 2.311 10.789 1.00 0.00 C ATOM 628 C ILE A 76 3.911 2.598 9.292 1.00 0.00 C ATOM 629 O ILE A 76 3.155 3.462 8.849 1.00 0.00 O ATOM 630 CB ILE A 76 4.686 3.483 11.493 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.837 3.192 12.988 1.00 0.00 C ATOM 632 CG2 ILE A 76 3.916 4.777 11.275 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.528 2.885 13.679 1.00 0.00 C ATOM 0 H ILE A 76 5.666 1.116 11.128 1.00 0.00 H new ATOM 0 HA ILE A 76 2.967 2.218 11.185 1.00 0.00 H new ATOM 0 HB ILE A 76 5.680 3.599 11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.514 2.348 13.119 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.301 4.051 13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.430 5.595 11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.856 4.989 10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.910 4.675 11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.711 2.689 14.735 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.855 3.737 13.579 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.072 2.007 13.221 1.00 0.00 H new ATOM 645 N GLU A 77 4.707 1.866 8.519 1.00 0.00 N ATOM 646 CA GLU A 77 4.737 2.041 7.072 1.00 0.00 C ATOM 647 C GLU A 77 3.324 2.175 6.510 1.00 0.00 C ATOM 648 O GLU A 77 3.119 2.767 5.451 1.00 0.00 O ATOM 649 CB GLU A 77 5.452 0.863 6.407 1.00 0.00 C ATOM 650 CG GLU A 77 4.523 -0.277 6.027 1.00 0.00 C ATOM 651 CD GLU A 77 3.588 -0.668 7.154 1.00 0.00 C ATOM 652 OE1 GLU A 77 3.953 -0.453 8.329 1.00 0.00 O ATOM 653 OE2 GLU A 77 2.491 -1.189 6.863 1.00 0.00 O ATOM 0 H GLU A 77 5.339 1.147 8.870 1.00 0.00 H new ATOM 0 HA GLU A 77 5.285 2.958 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.963 1.218 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.219 0.486 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.935 0.013 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.117 -1.143 5.736 1.00 0.00 H new ATOM 660 N ARG A 78 2.354 1.618 7.228 1.00 0.00 N ATOM 661 CA ARG A 78 0.961 1.673 6.802 1.00 0.00 C ATOM 662 C ARG A 78 0.450 3.111 6.795 1.00 0.00 C ATOM 663 O ARG A 78 0.170 3.675 5.737 1.00 0.00 O ATOM 664 CB ARG A 78 0.090 0.815 7.722 1.00 0.00 C ATOM 665 CG ARG A 78 -1.157 0.268 7.045 1.00 0.00 C ATOM 666 CD ARG A 78 -0.821 -0.876 6.101 1.00 0.00 C ATOM 667 NE ARG A 78 -0.140 -1.970 6.787 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.729 -2.759 7.679 1.00 0.00 C ATOM 669 NH1 ARG A 78 -2.005 -2.576 7.990 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.042 -3.733 8.261 1.00 0.00 N ATOM 0 H ARG A 78 2.507 1.124 8.107 1.00 0.00 H new ATOM 0 HA ARG A 78 0.902 1.280 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.684 -0.018 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.207 1.410 8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.861 -0.078 7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.651 1.066 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.737 -1.250 5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.190 -0.506 5.293 1.00 0.00 H new ATOM 0 HE ARG A 78 0.842 -2.138 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.536 -1.828 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.455 -3.183 8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.940 -3.877 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.495 -4.338 8.946 1.00 0.00 H new ATOM 684 N SER A 79 0.331 3.696 7.982 1.00 0.00 N ATOM 685 CA SER A 79 -0.150 5.067 8.113 1.00 0.00 C ATOM 686 C SER A 79 0.614 6.003 7.181 1.00 0.00 C ATOM 687 O SER A 79 0.018 6.816 6.475 1.00 0.00 O ATOM 688 CB SER A 79 -0.010 5.543 9.560 1.00 0.00 C ATOM 689 OG SER A 79 -0.406 6.897 9.692 1.00 0.00 O ATOM 0 H SER A 79 0.561 3.243 8.867 1.00 0.00 H new ATOM 0 HA SER A 79 -1.203 5.084 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.619 4.917 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.024 5.430 9.885 1.00 0.00 H new ATOM 0 HG SER A 79 -0.309 7.177 10.626 1.00 0.00 H new ATOM 695 N ILE A 80 1.938 5.881 7.187 1.00 0.00 N ATOM 696 CA ILE A 80 2.784 6.714 6.342 1.00 0.00 C ATOM 697 C ILE A 80 2.491 6.477 4.865 1.00 0.00 C ATOM 698 O ILE A 80 1.965 7.353 4.177 1.00 0.00 O ATOM 699 CB ILE A 80 4.278 6.448 6.606 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.576 6.530 8.105 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.137 7.439 5.835 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.718 5.640 8.543 1.00 0.00 C ATOM 0 H ILE A 80 2.447 5.214 7.767 1.00 0.00 H new ATOM 0 HA ILE A 80 2.557 7.750 6.593 1.00 0.00 H new ATOM 0 HB ILE A 80 4.519 5.443 6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.810 7.562 8.365 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.679 6.257 8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.190 7.238 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.942 7.337 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.896 8.454 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.873 5.749 9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.478 4.602 8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.627 5.927 8.014 1.00 0.00 H new ATOM 714 N LEU A 81 2.831 5.287 4.384 1.00 0.00 N ATOM 715 CA LEU A 81 2.602 4.932 2.987 1.00 0.00 C ATOM 716 C LEU A 81 1.195 5.326 2.549 1.00 0.00 C ATOM 717 O LEU A 81 1.018 6.040 1.561 1.00 0.00 O ATOM 718 CB LEU A 81 2.811 3.431 2.780 1.00 0.00 C ATOM 719 CG LEU A 81 2.562 2.907 1.366 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.430 3.648 0.361 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.824 1.410 1.298 1.00 0.00 C ATOM 0 H LEU A 81 3.266 4.551 4.940 1.00 0.00 H new ATOM 0 HA LEU A 81 3.320 5.480 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.835 3.185 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.154 2.895 3.465 1.00 0.00 H new ATOM 0 HG LEU A 81 1.517 3.085 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.239 3.261 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.193 4.712 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.481 3.503 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.642 1.054 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.860 1.209 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.159 0.892 1.989 1.00 0.00 H new ATOM 733 N HIS A 82 0.197 4.859 3.291 1.00 0.00 N ATOM 734 CA HIS A 82 -1.195 5.165 2.981 1.00 0.00 C ATOM 735 C HIS A 82 -1.367 6.646 2.660 1.00 0.00 C ATOM 736 O HIS A 82 -1.946 7.006 1.635 1.00 0.00 O ATOM 737 CB HIS A 82 -2.098 4.776 4.152 1.00 0.00 C ATOM 738 CG HIS A 82 -2.608 3.370 4.074 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.852 3.046 3.576 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.032 2.199 4.434 1.00 0.00 C ATOM 741 CE1 HIS A 82 -4.021 1.737 3.634 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.931 1.199 4.150 1.00 0.00 N ATOM 0 H HIS A 82 0.326 4.267 4.112 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.482 4.586 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.546 4.902 5.083 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.946 5.460 4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.049 2.074 4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.901 1.199 3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.781 0.203 4.312 1.00 0.00 H new ATOM 750 N ASP A 83 -0.862 7.500 3.544 1.00 0.00 N ATOM 751 CA ASP A 83 -0.960 8.943 3.355 1.00 0.00 C ATOM 752 C ASP A 83 -0.411 9.351 1.991 1.00 0.00 C ATOM 753 O ASP A 83 -1.060 10.080 1.242 1.00 0.00 O ATOM 754 CB ASP A 83 -0.203 9.676 4.463 1.00 0.00 C ATOM 755 CG ASP A 83 -0.702 11.093 4.665 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.651 11.883 3.700 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.143 11.413 5.789 1.00 0.00 O ATOM 0 H ASP A 83 -0.381 7.218 4.398 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.013 9.220 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.304 9.122 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.859 9.699 4.219 1.00 0.00 H new ATOM 762 N VAL A 84 0.790 8.876 1.676 1.00 0.00 N ATOM 763 CA VAL A 84 1.427 9.191 0.403 1.00 0.00 C ATOM 764 C VAL A 84 0.579 8.710 -0.769 1.00 0.00 C ATOM 765 O VAL A 84 0.581 9.316 -1.841 1.00 0.00 O ATOM 766 CB VAL A 84 2.827 8.557 0.304 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.444 8.835 -1.058 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.724 9.071 1.420 1.00 0.00 C ATOM 0 H VAL A 84 1.341 8.272 2.285 1.00 0.00 H new ATOM 0 HA VAL A 84 1.524 10.276 0.357 1.00 0.00 H new ATOM 0 HB VAL A 84 2.727 7.477 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.433 8.379 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.809 8.414 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.533 9.911 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.709 8.613 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.819 10.154 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.287 8.815 2.385 1.00 0.00 H new ATOM 778 N VAL A 85 -0.146 7.616 -0.559 1.00 0.00 N ATOM 779 CA VAL A 85 -1.001 7.054 -1.597 1.00 0.00 C ATOM 780 C VAL A 85 -2.201 7.955 -1.869 1.00 0.00 C ATOM 781 O VAL A 85 -2.456 8.336 -3.011 1.00 0.00 O ATOM 782 CB VAL A 85 -1.504 5.650 -1.211 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.464 5.118 -2.265 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.332 4.700 -1.017 1.00 0.00 C ATOM 0 H VAL A 85 -0.158 7.101 0.321 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.395 6.979 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.044 5.723 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.809 4.125 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.319 5.789 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.953 5.058 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.705 3.713 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.237 4.630 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.313 5.076 -0.223 1.00 0.00 H new ATOM 794 N GLU A 86 -2.933 8.291 -0.812 1.00 0.00 N ATOM 795 CA GLU A 86 -4.107 9.147 -0.937 1.00 0.00 C ATOM 796 C GLU A 86 -3.737 10.488 -1.566 1.00 0.00 C ATOM 797 O GLU A 86 -4.518 11.068 -2.321 1.00 0.00 O ATOM 798 CB GLU A 86 -4.749 9.374 0.433 1.00 0.00 C ATOM 799 CG GLU A 86 -4.187 10.574 1.178 1.00 0.00 C ATOM 800 CD GLU A 86 -4.297 10.430 2.683 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.189 9.688 3.144 1.00 0.00 O ATOM 802 OE2 GLU A 86 -3.490 11.058 3.400 1.00 0.00 O ATOM 0 H GLU A 86 -2.734 7.984 0.140 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.824 8.645 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.823 9.508 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.610 8.481 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.140 10.709 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.717 11.473 0.863 1.00 0.00 H new ATOM 809 N VAL A 87 -2.542 10.975 -1.249 1.00 0.00 N ATOM 810 CA VAL A 87 -2.068 12.246 -1.782 1.00 0.00 C ATOM 811 C VAL A 87 -1.773 12.140 -3.274 1.00 0.00 C ATOM 812 O VAL A 87 -2.064 13.057 -4.041 1.00 0.00 O ATOM 813 CB VAL A 87 -0.798 12.722 -1.052 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.291 14.023 -1.656 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.069 12.886 0.436 1.00 0.00 C ATOM 0 H VAL A 87 -1.884 10.508 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.864 12.973 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.023 11.965 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.607 14.344 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.056 13.868 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.060 14.790 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.161 13.223 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.859 13.623 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.382 11.930 0.856 1.00 0.00 H new ATOM 825 N ALA A 88 -1.195 11.014 -3.679 1.00 0.00 N ATOM 826 CA ALA A 88 -0.863 10.787 -5.080 1.00 0.00 C ATOM 827 C ALA A 88 -2.123 10.647 -5.927 1.00 0.00 C ATOM 828 O ALA A 88 -2.142 11.025 -7.098 1.00 0.00 O ATOM 829 CB ALA A 88 0.011 9.549 -5.222 1.00 0.00 C ATOM 0 H ALA A 88 -0.947 10.245 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.308 11.653 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.251 9.392 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.932 9.687 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.524 8.680 -4.838 1.00 0.00 H new ATOM 835 N GLY A 89 -3.176 10.099 -5.327 1.00 0.00 N ATOM 836 CA GLY A 89 -4.426 9.918 -6.042 1.00 0.00 C ATOM 837 C GLY A 89 -4.693 8.466 -6.385 1.00 0.00 C ATOM 838 O GLY A 89 -5.237 8.161 -7.447 1.00 0.00 O ATOM 0 H GLY A 89 -3.185 9.777 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.247 10.302 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.405 10.507 -6.959 1.00 0.00 H new ATOM 842 N LEU A 90 -4.307 7.567 -5.486 1.00 0.00 N ATOM 843 CA LEU A 90 -4.506 6.138 -5.699 1.00 0.00 C ATOM 844 C LEU A 90 -5.235 5.507 -4.516 1.00 0.00 C ATOM 845 O LEU A 90 -5.398 6.133 -3.468 1.00 0.00 O ATOM 846 CB LEU A 90 -3.161 5.442 -5.913 1.00 0.00 C ATOM 847 CG LEU A 90 -2.411 5.812 -7.193 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.978 5.304 -7.138 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.130 5.253 -8.413 1.00 0.00 C ATOM 0 H LEU A 90 -3.854 7.803 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.120 6.011 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.519 5.666 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.328 4.365 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.387 6.899 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.460 5.577 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.466 5.752 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.980 4.219 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.582 5.526 -9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.185 4.167 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.138 5.665 -8.462 1.00 0.00 H new ATOM 861 N THR A 91 -5.670 4.264 -4.691 1.00 0.00 N ATOM 862 CA THR A 91 -6.381 3.548 -3.638 1.00 0.00 C ATOM 863 C THR A 91 -5.423 2.704 -2.805 1.00 0.00 C ATOM 864 O THR A 91 -4.543 2.032 -3.343 1.00 0.00 O ATOM 865 CB THR A 91 -7.477 2.635 -4.221 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.423 3.416 -4.959 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.192 1.875 -3.114 1.00 0.00 C ATOM 0 H THR A 91 -5.543 3.731 -5.552 1.00 0.00 H new ATOM 0 HA THR A 91 -6.846 4.301 -3.002 1.00 0.00 H new ATOM 0 HB THR A 91 -7.003 1.914 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.115 2.829 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.961 1.237 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.474 1.260 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.654 2.583 -2.426 1.00 0.00 H new ATOM 875 N SER A 92 -5.600 2.743 -1.488 1.00 0.00 N ATOM 876 CA SER A 92 -4.749 1.983 -0.579 1.00 0.00 C ATOM 877 C SER A 92 -5.588 1.100 0.340 1.00 0.00 C ATOM 878 O SER A 92 -6.675 1.486 0.769 1.00 0.00 O ATOM 879 CB SER A 92 -3.885 2.931 0.255 1.00 0.00 C ATOM 880 OG SER A 92 -4.687 3.818 1.014 1.00 0.00 O ATOM 0 H SER A 92 -6.325 3.293 -1.027 1.00 0.00 H new ATOM 0 HA SER A 92 -4.101 1.342 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.245 2.353 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.228 3.501 -0.401 1.00 0.00 H new ATOM 0 HG SER A 92 -4.528 3.666 1.969 1.00 0.00 H new ATOM 886 N PHE A 93 -5.074 -0.088 0.638 1.00 0.00 N ATOM 887 CA PHE A 93 -5.774 -1.029 1.505 1.00 0.00 C ATOM 888 C PHE A 93 -4.787 -1.934 2.236 1.00 0.00 C ATOM 889 O PHE A 93 -3.713 -2.244 1.720 1.00 0.00 O ATOM 890 CB PHE A 93 -6.753 -1.876 0.689 1.00 0.00 C ATOM 891 CG PHE A 93 -8.117 -1.260 0.561 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.957 -1.170 1.659 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.559 -0.770 -0.657 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.213 -0.605 1.544 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.813 -0.203 -0.779 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.641 -0.119 0.324 1.00 0.00 C ATOM 0 H PHE A 93 -4.175 -0.423 0.292 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.331 -0.456 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.340 -2.035 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.848 -2.857 1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.626 -1.546 2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.915 -0.832 -1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.859 -0.544 2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.146 0.174 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.621 0.326 0.232 1.00 0.00 H new ATOM 906 N SER A 94 -5.159 -2.354 3.441 1.00 0.00 N ATOM 907 CA SER A 94 -4.305 -3.220 4.245 1.00 0.00 C ATOM 908 C SER A 94 -4.851 -4.645 4.275 1.00 0.00 C ATOM 909 O SER A 94 -5.898 -4.909 4.866 1.00 0.00 O ATOM 910 CB SER A 94 -4.190 -2.676 5.671 1.00 0.00 C ATOM 911 OG SER A 94 -5.469 -2.496 6.253 1.00 0.00 O ATOM 0 H SER A 94 -6.046 -2.109 3.882 1.00 0.00 H new ATOM 0 HA SER A 94 -3.315 -3.238 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.604 -3.364 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.655 -1.726 5.659 1.00 0.00 H new ATOM 0 HG SER A 94 -6.045 -3.253 6.017 1.00 0.00 H new ATOM 917 N PHE A 95 -4.132 -5.560 3.634 1.00 0.00 N ATOM 918 CA PHE A 95 -4.543 -6.958 3.585 1.00 0.00 C ATOM 919 C PHE A 95 -3.512 -7.853 4.267 1.00 0.00 C ATOM 920 O PHE A 95 -2.329 -7.822 3.932 1.00 0.00 O ATOM 921 CB PHE A 95 -4.740 -7.404 2.134 1.00 0.00 C ATOM 922 CG PHE A 95 -5.780 -6.607 1.399 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.122 -6.937 1.497 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.415 -5.528 0.609 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.081 -6.206 0.821 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.370 -4.794 -0.069 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.704 -5.133 0.038 1.00 0.00 C ATOM 0 H PHE A 95 -3.262 -5.359 3.141 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.489 -7.051 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.790 -7.323 1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.023 -8.456 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.422 -7.775 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.373 -5.258 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.124 -6.474 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.073 -3.956 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.452 -4.560 -0.490 1.00 0.00 H new ATOM 937 N GLY A 96 -3.971 -8.648 5.228 1.00 0.00 N ATOM 938 CA GLY A 96 -3.077 -9.539 5.944 1.00 0.00 C ATOM 939 C GLY A 96 -3.677 -10.915 6.157 1.00 0.00 C ATOM 940 O GLY A 96 -4.840 -11.039 6.539 1.00 0.00 O ATOM 0 H GLY A 96 -4.946 -8.691 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.144 -9.635 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.829 -9.100 6.911 1.00 0.00 H new ATOM 944 N GLU A 97 -2.882 -11.951 5.906 1.00 0.00 N ATOM 945 CA GLU A 97 -3.344 -13.324 6.070 1.00 0.00 C ATOM 946 C GLU A 97 -3.453 -13.689 7.548 1.00 0.00 C ATOM 947 O GLU A 97 -4.383 -14.381 7.960 1.00 0.00 O ATOM 948 CB GLU A 97 -2.393 -14.293 5.363 1.00 0.00 C ATOM 949 CG GLU A 97 -0.964 -14.224 5.874 1.00 0.00 C ATOM 950 CD GLU A 97 0.030 -14.843 4.910 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.298 -14.229 3.856 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.541 -15.943 5.210 1.00 0.00 O ATOM 0 H GLU A 97 -1.916 -11.865 5.589 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.334 -13.403 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.766 -15.310 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.399 -14.079 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.694 -13.182 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.900 -14.736 6.834 1.00 0.00 H new ATOM 959 N ASP A 98 -2.495 -13.218 8.339 1.00 0.00 N ATOM 960 CA ASP A 98 -2.483 -13.493 9.771 1.00 0.00 C ATOM 961 C ASP A 98 -2.234 -12.216 10.568 1.00 0.00 C ATOM 962 O ASP A 98 -1.754 -11.219 10.028 1.00 0.00 O ATOM 963 CB ASP A 98 -1.411 -14.533 10.103 1.00 0.00 C ATOM 964 CG ASP A 98 -1.694 -15.262 11.402 1.00 0.00 C ATOM 965 OD1 ASP A 98 -2.840 -15.720 11.587 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.769 -15.373 12.234 1.00 0.00 O ATOM 0 H ASP A 98 -1.717 -12.644 8.013 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.460 -13.888 10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.347 -15.257 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.440 -14.042 10.170 1.00 0.00 H new ATOM 971 N ASP A 99 -2.566 -12.253 11.854 1.00 0.00 N ATOM 972 CA ASP A 99 -2.379 -11.099 12.725 1.00 0.00 C ATOM 973 C ASP A 99 -0.945 -10.583 12.644 1.00 0.00 C ATOM 974 O ASP A 99 -0.714 -9.382 12.508 1.00 0.00 O ATOM 975 CB ASP A 99 -2.722 -11.463 14.170 1.00 0.00 C ATOM 976 CG ASP A 99 -2.728 -10.255 15.086 1.00 0.00 C ATOM 977 OD1 ASP A 99 -1.660 -9.929 15.646 1.00 0.00 O ATOM 978 OD2 ASP A 99 -3.800 -9.635 15.242 1.00 0.00 O ATOM 0 H ASP A 99 -2.966 -13.070 12.316 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.050 -10.309 12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.701 -11.942 14.198 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.000 -12.192 14.539 1.00 0.00 H new ATOM 983 N ASP A 100 0.013 -11.499 12.730 1.00 0.00 N ATOM 984 CA ASP A 100 1.424 -11.137 12.666 1.00 0.00 C ATOM 985 C ASP A 100 1.822 -10.747 11.246 1.00 0.00 C ATOM 986 O ASP A 100 2.553 -9.777 11.040 1.00 0.00 O ATOM 987 CB ASP A 100 2.293 -12.299 13.150 1.00 0.00 C ATOM 988 CG ASP A 100 1.760 -12.930 14.421 1.00 0.00 C ATOM 989 OD1 ASP A 100 1.300 -12.181 15.308 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.801 -14.174 14.529 1.00 0.00 O ATOM 0 H ASP A 100 -0.162 -12.497 12.844 1.00 0.00 H new ATOM 0 HA ASP A 100 1.582 -10.278 13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.350 -13.056 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.308 -11.942 13.323 1.00 0.00 H new ATOM 995 N CYS A 101 1.336 -11.507 10.271 1.00 0.00 N ATOM 996 CA CYS A 101 1.643 -11.242 8.870 1.00 0.00 C ATOM 997 C CYS A 101 0.665 -10.229 8.282 1.00 0.00 C ATOM 998 O CYS A 101 -0.481 -10.560 7.979 1.00 0.00 O ATOM 999 CB CYS A 101 1.598 -12.539 8.061 1.00 0.00 C ATOM 1000 SG CYS A 101 2.465 -12.453 6.477 1.00 0.00 S ATOM 0 H CYS A 101 0.728 -12.311 10.425 1.00 0.00 H new ATOM 0 HA CYS A 101 2.648 -10.824 8.817 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.032 -13.342 8.657 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.557 -12.805 7.879 1.00 0.00 H new ATOM 0 HG CYS A 101 2.372 -13.598 5.869 1.00 0.00 H new ATOM 1006 N ARG A 102 1.126 -8.992 8.126 1.00 0.00 N ATOM 1007 CA ARG A 102 0.292 -7.929 7.577 1.00 0.00 C ATOM 1008 C ARG A 102 1.090 -7.052 6.618 1.00 0.00 C ATOM 1009 O ARG A 102 2.147 -6.528 6.972 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.288 -7.074 8.705 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.505 -7.691 9.374 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.184 -6.707 10.313 1.00 0.00 C ATOM 1013 NE ARG A 102 -1.502 -6.620 11.602 1.00 0.00 N ATOM 1014 CZ ARG A 102 -1.651 -5.604 12.445 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.454 -4.595 12.138 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -0.996 -5.598 13.599 1.00 0.00 N ATOM 0 H ARG A 102 2.072 -8.701 8.372 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.525 -8.391 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.484 -6.908 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.560 -6.097 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.214 -8.017 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.204 -8.579 9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.209 -5.721 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.219 -7.011 10.470 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.877 -7.381 11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.960 -4.597 11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.566 -3.817 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.378 -6.373 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.110 -4.818 14.246 1.00 0.00 H new ATOM 1030 N TYR A 103 0.578 -6.897 5.402 1.00 0.00 N ATOM 1031 CA TYR A 103 1.244 -6.086 4.390 1.00 0.00 C ATOM 1032 C TYR A 103 0.291 -5.043 3.813 1.00 0.00 C ATOM 1033 O TYR A 103 -0.923 -5.123 4.001 1.00 0.00 O ATOM 1034 CB TYR A 103 1.784 -6.974 3.268 1.00 0.00 C ATOM 1035 CG TYR A 103 0.728 -7.839 2.619 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.119 -7.323 1.645 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.576 -9.173 2.978 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.086 -8.109 1.050 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.387 -9.967 2.387 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.216 -9.431 1.424 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.177 -10.217 0.832 1.00 0.00 O ATOM 0 H TYR A 103 -0.296 -7.322 5.093 1.00 0.00 H new ATOM 0 HA TYR A 103 2.076 -5.568 4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.244 -6.344 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.570 -7.614 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.019 -6.289 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.222 -9.596 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.737 -7.691 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.490 -11.002 2.677 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.136 -11.122 1.206 1.00 0.00 H new ATOM 1051 N VAL A 104 0.851 -4.064 3.110 1.00 0.00 N ATOM 1052 CA VAL A 104 0.053 -3.005 2.503 1.00 0.00 C ATOM 1053 C VAL A 104 -0.045 -3.187 0.993 1.00 0.00 C ATOM 1054 O VAL A 104 0.894 -3.659 0.352 1.00 0.00 O ATOM 1055 CB VAL A 104 0.643 -1.615 2.805 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.015 -1.467 2.165 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.299 -0.521 2.324 1.00 0.00 C ATOM 0 H VAL A 104 1.854 -3.982 2.947 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.944 -3.071 2.939 1.00 0.00 H new ATOM 0 HB VAL A 104 0.759 -1.515 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.416 -0.479 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.686 -2.229 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.928 -1.587 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.133 0.455 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.448 -0.616 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.258 -0.617 2.833 1.00 0.00 H new ATOM 1067 N MET A 105 -1.188 -2.809 0.430 1.00 0.00 N ATOM 1068 CA MET A 105 -1.408 -2.929 -1.007 1.00 0.00 C ATOM 1069 C MET A 105 -2.113 -1.692 -1.554 1.00 0.00 C ATOM 1070 O MET A 105 -2.812 -0.990 -0.822 1.00 0.00 O ATOM 1071 CB MET A 105 -2.233 -4.180 -1.316 1.00 0.00 C ATOM 1072 CG MET A 105 -1.388 -5.414 -1.585 1.00 0.00 C ATOM 1073 SD MET A 105 -2.377 -6.839 -2.077 1.00 0.00 S ATOM 1074 CE MET A 105 -2.482 -6.584 -3.847 1.00 0.00 C ATOM 0 H MET A 105 -1.976 -2.417 0.946 1.00 0.00 H new ATOM 0 HA MET A 105 -0.436 -3.015 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.900 -4.382 -0.478 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.863 -3.985 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.665 -5.190 -2.369 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.820 -5.663 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.066 -7.387 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.965 -5.628 -4.049 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.479 -6.581 -4.274 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.926 -1.431 -2.843 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.546 -0.280 -3.487 1.00 0.00 C ATOM 1086 C ILE A 106 -3.104 -0.650 -4.857 1.00 0.00 C ATOM 1087 O ILE A 106 -2.530 -1.471 -5.572 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.545 0.880 -3.650 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.295 0.404 -4.391 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.176 1.455 -2.291 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.408 1.502 -5.159 1.00 0.00 C ATOM 0 H ILE A 106 -1.350 -2.001 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.362 0.042 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.015 1.667 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.401 -0.028 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.573 -0.391 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.468 2.273 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.074 1.827 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.721 0.677 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.285 1.092 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.272 1.919 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.718 2.287 -4.470 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.227 -0.038 -5.217 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.864 -0.302 -6.502 1.00 0.00 C ATOM 1105 C PHE A 107 -5.087 0.994 -7.275 1.00 0.00 C ATOM 1106 O PHE A 107 -4.888 2.088 -6.747 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.198 -1.022 -6.295 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.049 -2.424 -5.778 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.628 -2.656 -4.479 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.330 -3.510 -6.591 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.489 -3.946 -4.001 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.193 -4.802 -6.119 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.773 -5.020 -4.821 1.00 0.00 C ATOM 0 H PHE A 107 -4.715 0.644 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.200 -0.941 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.807 -0.448 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.738 -1.048 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.406 -1.820 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.660 -3.345 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.158 -4.113 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.414 -5.640 -6.764 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.667 -6.028 -4.449 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.502 0.863 -8.531 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.753 2.022 -9.379 1.00 0.00 C ATOM 1125 C LYS A 108 -7.220 2.435 -9.315 1.00 0.00 C ATOM 1126 O LYS A 108 -8.049 1.733 -8.736 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.362 1.715 -10.827 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.919 2.059 -11.153 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.701 2.183 -12.651 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.542 3.115 -12.970 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.513 3.491 -14.411 1.00 0.00 N ATOM 0 H LYS A 108 -5.672 -0.035 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.144 2.848 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.527 0.655 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.019 2.269 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.648 2.996 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.261 1.289 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.504 1.198 -13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.610 2.556 -13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.622 4.016 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.603 2.631 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.709 4.127 -14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.411 2.634 -14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.399 3.975 -14.661 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.535 3.579 -9.913 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.902 4.085 -9.927 1.00 0.00 C ATOM 1147 C LYS A 109 -9.824 3.142 -10.693 1.00 0.00 C ATOM 1148 O LYS A 109 -10.880 2.753 -10.195 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.945 5.480 -10.556 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.348 6.050 -10.674 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.389 7.237 -11.622 1.00 0.00 C ATOM 1152 CE LYS A 109 -10.115 8.543 -10.891 1.00 0.00 C ATOM 1153 NZ LYS A 109 -8.719 8.610 -10.378 1.00 0.00 N ATOM 0 H LYS A 109 -6.861 4.174 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.250 4.147 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.335 6.158 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.495 5.436 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.028 5.276 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.701 6.357 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.651 7.099 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.366 7.286 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.295 9.381 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.813 8.647 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.416 9.603 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.677 8.184 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.088 8.089 -11.020 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.416 2.777 -11.904 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.207 1.878 -12.737 1.00 0.00 C ATOM 1169 C GLU A 110 -10.052 0.432 -12.276 1.00 0.00 C ATOM 1170 O GLU A 110 -11.012 -0.339 -12.279 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.788 2.005 -14.203 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.441 0.979 -15.114 1.00 0.00 C ATOM 1173 CD GLU A 110 -9.763 0.884 -16.467 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -8.567 1.233 -16.556 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -10.427 0.462 -17.436 1.00 0.00 O ATOM 0 H GLU A 110 -8.543 3.089 -12.330 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.255 2.162 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.038 3.005 -14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.705 1.903 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.417 0.002 -14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.490 1.239 -15.255 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.836 0.070 -11.881 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.553 -1.284 -11.419 1.00 0.00 C ATOM 1184 C PHE A 111 -8.740 -1.393 -9.908 1.00 0.00 C ATOM 1185 O PHE A 111 -8.248 -2.328 -9.277 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.127 -1.688 -11.798 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.811 -1.478 -13.251 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.485 -2.191 -14.230 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.840 -0.569 -13.639 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.196 -2.001 -15.568 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.547 -0.374 -14.976 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.227 -1.091 -15.941 1.00 0.00 C ATOM 0 H PHE A 111 -8.030 0.696 -11.872 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.256 -1.961 -11.905 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.423 -1.115 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.977 -2.739 -11.550 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.245 -2.903 -13.944 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.306 -0.006 -12.888 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.728 -2.564 -16.321 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.788 0.338 -15.265 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.001 -0.940 -16.986 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.453 -0.429 -9.335 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.707 -0.417 -7.900 1.00 0.00 C ATOM 1204 C ALA A 112 -10.681 -1.522 -7.505 1.00 0.00 C ATOM 1205 O ALA A 112 -11.610 -1.855 -8.240 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.243 0.941 -7.470 1.00 0.00 C ATOM 0 H ALA A 112 -9.865 0.354 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.763 -0.601 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.428 0.936 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.511 1.713 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.174 1.148 -7.998 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.465 -2.104 -6.316 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.314 -3.181 -5.796 1.00 0.00 C ATOM 1214 C PRO A 113 -12.705 -2.688 -5.413 1.00 0.00 C ATOM 1215 O PRO A 113 -12.885 -1.525 -5.052 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.557 -3.663 -4.557 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.748 -2.488 -4.126 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.377 -1.757 -5.387 1.00 0.00 C ATOM 0 HA PRO A 113 -11.483 -3.961 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.244 -3.980 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.921 -4.518 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.319 -1.845 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.858 -2.805 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.316 -0.681 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.407 -2.078 -5.767 1.00 0.00 H new ATOM 1226 N SER A 114 -13.687 -3.581 -5.494 1.00 0.00 N ATOM 1227 CA SER A 114 -15.063 -3.235 -5.158 1.00 0.00 C ATOM 1228 C SER A 114 -15.369 -3.574 -3.702 1.00 0.00 C ATOM 1229 O SER A 114 -14.618 -4.301 -3.051 1.00 0.00 O ATOM 1230 CB SER A 114 -16.036 -3.973 -6.080 1.00 0.00 C ATOM 1231 OG SER A 114 -16.278 -3.233 -7.264 1.00 0.00 O ATOM 0 H SER A 114 -13.555 -4.548 -5.789 1.00 0.00 H new ATOM 0 HA SER A 114 -15.185 -2.161 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.628 -4.951 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.977 -4.146 -5.557 1.00 0.00 H new ATOM 0 HG SER A 114 -16.901 -3.727 -7.837 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.476 -3.042 -3.197 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.883 -3.287 -1.819 1.00 0.00 C ATOM 1239 C ASP A 115 -16.945 -4.784 -1.529 1.00 0.00 C ATOM 1240 O ASP A 115 -16.162 -5.304 -0.734 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.244 -2.646 -1.544 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.143 -1.151 -1.311 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.387 -0.486 -2.049 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.820 -0.647 -0.390 1.00 0.00 O ATOM 0 H ASP A 115 -17.108 -2.438 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.139 -2.837 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.909 -2.835 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.695 -3.117 -0.671 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.881 -5.469 -2.178 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.045 -6.906 -1.987 1.00 0.00 C ATOM 1251 C GLU A 116 -16.731 -7.641 -2.234 1.00 0.00 C ATOM 1252 O GLU A 116 -16.350 -8.526 -1.469 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.129 -7.446 -2.922 1.00 0.00 C ATOM 1254 CG GLU A 116 -19.322 -8.950 -2.824 1.00 0.00 C ATOM 1255 CD GLU A 116 -18.381 -9.720 -3.731 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -18.337 -9.410 -4.940 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -17.689 -10.632 -3.231 1.00 0.00 O ATOM 0 H GLU A 116 -18.537 -5.053 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.348 -7.078 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.073 -6.951 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.873 -7.187 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.166 -9.266 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.352 -9.198 -3.081 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.044 -7.268 -3.310 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.774 -7.893 -3.659 1.00 0.00 C ATOM 1266 C GLU A 117 -13.756 -7.721 -2.535 1.00 0.00 C ATOM 1267 O GLU A 117 -12.948 -8.613 -2.271 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.224 -7.293 -4.955 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.194 -7.374 -6.122 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.293 -8.771 -6.703 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -14.365 -9.176 -7.433 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.298 -9.459 -6.428 1.00 0.00 O ATOM 0 H GLU A 117 -16.346 -6.537 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 117 -14.951 -8.958 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.965 -6.249 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.303 -7.810 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.181 -7.051 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.877 -6.682 -6.902 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.800 -6.569 -1.875 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.882 -6.279 -0.779 1.00 0.00 C ATOM 1281 C LEU A 118 -13.102 -7.240 0.384 1.00 0.00 C ATOM 1282 O LEU A 118 -12.156 -7.845 0.890 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.064 -4.836 -0.305 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.418 -3.757 -1.175 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.024 -2.395 -0.874 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.912 -3.731 -0.963 1.00 0.00 C ATOM 0 H LEU A 118 -14.462 -5.820 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.864 -6.409 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.132 -4.629 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.659 -4.752 0.703 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.613 -3.996 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.552 -1.640 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.094 -2.420 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.861 -2.148 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.470 -2.957 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.696 -3.517 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.490 -4.700 -1.230 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.355 -7.378 0.802 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.700 -8.269 1.904 1.00 0.00 C ATOM 1300 C ASP A 119 -14.207 -9.686 1.631 1.00 0.00 C ATOM 1301 O ASP A 119 -13.675 -10.351 2.520 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.213 -8.275 2.128 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.615 -9.090 3.343 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.081 -8.823 4.440 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.464 -9.994 3.196 1.00 0.00 O ATOM 0 H ASP A 119 -15.149 -6.884 0.395 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.209 -7.901 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.564 -7.250 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.707 -8.678 1.244 1.00 0.00 H new ATOM 1310 N SER A 120 -14.390 -10.143 0.396 1.00 0.00 N ATOM 1311 CA SER A 120 -13.968 -11.484 0.008 1.00 0.00 C ATOM 1312 C SER A 120 -12.450 -11.560 -0.123 1.00 0.00 C ATOM 1313 O SER A 120 -11.829 -12.542 0.283 1.00 0.00 O ATOM 1314 CB SER A 120 -14.626 -11.885 -1.314 1.00 0.00 C ATOM 1315 OG SER A 120 -13.966 -11.285 -2.415 1.00 0.00 O ATOM 0 H SER A 120 -14.827 -9.605 -0.352 1.00 0.00 H new ATOM 0 HA SER A 120 -14.283 -12.177 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.604 -12.970 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.674 -11.586 -1.307 1.00 0.00 H new ATOM 0 HG SER A 120 -13.792 -10.341 -2.218 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.859 -10.516 -0.693 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.414 -10.464 -0.881 1.00 0.00 C ATOM 1323 C TYR A 121 -9.684 -10.754 0.427 1.00 0.00 C ATOM 1324 O TYR A 121 -8.681 -11.466 0.446 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.997 -9.093 -1.418 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.095 -8.977 -2.922 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.461 -9.893 -3.752 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.820 -7.950 -3.514 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.546 -9.791 -5.127 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.912 -7.841 -4.888 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.273 -8.763 -5.690 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.362 -8.657 -7.059 1.00 0.00 O ATOM 0 H TYR A 121 -12.358 -9.694 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.140 -11.230 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.624 -8.327 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.971 -8.889 -1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.891 -10.699 -3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.320 -7.225 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.046 -10.512 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.481 -7.038 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.911 -7.880 -7.292 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.197 -10.196 1.519 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.595 -10.393 2.832 1.00 0.00 C ATOM 1344 C ARG A 122 -9.988 -11.749 3.412 1.00 0.00 C ATOM 1345 O ARG A 122 -9.165 -12.440 4.014 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.022 -9.276 3.786 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.453 -7.914 3.421 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.310 -6.786 3.973 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.949 -6.445 5.347 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.274 -5.297 5.929 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.966 -4.384 5.261 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -9.909 -5.060 7.182 1.00 0.00 N ATOM 0 H ARG A 122 -11.028 -9.604 1.520 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.512 -10.367 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.110 -9.215 3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.707 -9.533 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.439 -7.826 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.387 -7.825 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.201 -5.905 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.360 -7.077 3.936 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.418 -7.127 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.250 -4.563 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -11.214 -3.503 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.378 -5.760 7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.159 -4.177 7.628 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.250 -12.122 3.228 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.752 -13.394 3.734 1.00 0.00 C ATOM 1368 C ARG A 123 -10.954 -14.561 3.160 1.00 0.00 C ATOM 1369 O ARG A 123 -10.859 -15.623 3.774 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.233 -13.556 3.388 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.020 -14.336 4.428 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.037 -15.824 4.114 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.120 -16.638 5.323 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.604 -17.875 5.345 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -15.047 -18.437 4.228 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -14.647 -18.552 6.485 1.00 0.00 N ATOM 0 H ARG A 123 -11.944 -11.562 2.732 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.637 -13.396 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.680 -12.569 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.319 -14.061 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.581 -14.176 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.042 -13.960 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.885 -16.048 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.136 -16.088 3.561 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.788 -16.235 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.016 -17.919 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.418 -19.387 4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -14.308 -18.123 7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.019 -19.502 6.500 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.382 -14.355 1.977 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.600 -15.399 1.340 1.00 0.00 C ATOM 1392 C GLY A 124 -10.224 -15.881 0.045 1.00 0.00 C ATOM 1393 O GLY A 124 -10.929 -15.131 -0.629 1.00 0.00 O ATOM 0 H GLY A 124 -10.446 -13.485 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.596 -15.026 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.496 -16.240 2.025 1.00 0.00 H new ATOM 1397 N SER A 125 -9.962 -17.137 -0.304 1.00 0.00 N ATOM 1398 CA SER A 125 -10.498 -17.716 -1.530 1.00 0.00 C ATOM 1399 C SER A 125 -11.392 -18.913 -1.219 1.00 0.00 C ATOM 1400 O SER A 125 -11.188 -19.614 -0.230 1.00 0.00 O ATOM 1401 CB SER A 125 -9.359 -18.144 -2.458 1.00 0.00 C ATOM 1402 OG SER A 125 -9.852 -18.877 -3.566 1.00 0.00 O ATOM 0 H SER A 125 -9.382 -17.772 0.245 1.00 0.00 H new ATOM 0 HA SER A 125 -11.098 -16.955 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.822 -17.263 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.644 -18.753 -1.904 1.00 0.00 H new ATOM 0 HG SER A 125 -9.105 -19.137 -4.145 1.00 0.00 H new ATOM 1408 N GLY A 126 -12.385 -19.140 -2.074 1.00 0.00 N ATOM 1409 CA GLY A 126 -13.296 -20.252 -1.875 1.00 0.00 C ATOM 1410 C GLY A 126 -14.559 -19.842 -1.142 1.00 0.00 C ATOM 1411 O GLY A 126 -14.665 -19.974 0.077 1.00 0.00 O ATOM 0 H GLY A 126 -12.575 -18.574 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -13.563 -20.677 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.790 -21.036 -1.311 1.00 0.00 H new ATOM 1415 N PRO A 127 -15.545 -19.331 -1.894 1.00 0.00 N ATOM 1416 CA PRO A 127 -16.823 -18.889 -1.330 1.00 0.00 C ATOM 1417 C PRO A 127 -17.673 -20.055 -0.836 1.00 0.00 C ATOM 1418 O PRO A 127 -17.459 -21.202 -1.230 1.00 0.00 O ATOM 1419 CB PRO A 127 -17.508 -18.190 -2.507 1.00 0.00 C ATOM 1420 CG PRO A 127 -16.907 -18.813 -3.719 1.00 0.00 C ATOM 1421 CD PRO A 127 -15.487 -19.145 -3.354 1.00 0.00 C ATOM 0 HA PRO A 127 -16.684 -18.249 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -18.588 -18.337 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -17.332 -17.115 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -17.455 -19.709 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -16.942 -18.129 -4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -15.142 -20.046 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -14.803 -18.343 -3.630 1.00 0.00 H new ATOM 1429 N SER A 128 -18.636 -19.755 0.029 1.00 0.00 N ATOM 1430 CA SER A 128 -19.516 -20.779 0.579 1.00 0.00 C ATOM 1431 C SER A 128 -20.838 -20.825 -0.181 1.00 0.00 C ATOM 1432 O SER A 128 -21.131 -19.949 -0.994 1.00 0.00 O ATOM 1433 CB SER A 128 -19.777 -20.514 2.063 1.00 0.00 C ATOM 1434 OG SER A 128 -18.621 -20.779 2.839 1.00 0.00 O ATOM 0 H SER A 128 -18.827 -18.811 0.364 1.00 0.00 H new ATOM 0 HA SER A 128 -19.021 -21.744 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 128 -20.083 -19.477 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 128 -20.601 -21.138 2.408 1.00 0.00 H new ATOM 0 HG SER A 128 -18.813 -20.600 3.783 1.00 0.00 H new ATOM 1440 N SER A 129 -21.634 -21.855 0.091 1.00 0.00 N ATOM 1441 CA SER A 129 -22.924 -22.019 -0.569 1.00 0.00 C ATOM 1442 C SER A 129 -24.000 -22.425 0.434 1.00 0.00 C ATOM 1443 O SER A 129 -23.781 -23.292 1.279 1.00 0.00 O ATOM 1444 CB SER A 129 -22.823 -23.067 -1.679 1.00 0.00 C ATOM 1445 OG SER A 129 -23.873 -22.918 -2.619 1.00 0.00 O ATOM 0 H SER A 129 -21.408 -22.588 0.764 1.00 0.00 H new ATOM 0 HA SER A 129 -23.204 -21.061 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 129 -21.862 -22.974 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 129 -22.859 -24.066 -1.244 1.00 0.00 H new ATOM 0 HG SER A 129 -23.785 -23.598 -3.319 1.00 0.00 H new ATOM 1451 N GLY A 130 -25.164 -21.791 0.333 1.00 0.00 N ATOM 1452 CA GLY A 130 -26.257 -22.099 1.236 1.00 0.00 C ATOM 1453 C GLY A 130 -27.171 -20.912 1.466 1.00 0.00 C ATOM 1454 O GLY A 130 -26.971 -19.845 0.886 1.00 0.00 O ATOM 0 H GLY A 130 -25.369 -21.070 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -26.838 -22.927 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -25.852 -22.432 2.191 1.00 0.00 H new TER 1458 GLY A 130