USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 TYR OH : rot -85:sc= 1.81 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 151:sc= 1.28 (180deg=-0.277) USER MOD Set 2.1: A 39 TYR OH : rot 100:sc= 0.013 USER MOD Set 2.2: A 44 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.57) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -0.144 X(o=-0.14,f=0.024) USER MOD Set 3.2: A 94 TYR OH : rot -61:sc= 0.0037 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.748 K(o=1.8,f=-0.27!) USER MOD Set 4.2: A 106 HIS : no HD1:sc= 1.07 K(o=1.8,f=-7.2!) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0152 (180deg=-0.215) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 66:sc= 0.134 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.54) USER MOD Single : A 25 ASN : amide:sc= -1.67 K(o=-1.7,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.791) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -0.504 (180deg=-2.33!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 1.3 (180deg=0.588) USER MOD Single : A 67 GLN : amide:sc= -0.225 K(o=-0.23,f=-1.6) USER MOD Single : A 68 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.36) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 66:sc= 0.498 USER MOD Single : A 75 THR OG1 : rot 83:sc= 0.491 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0322 (180deg=-0.27) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 178:sc= 0.663 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 102 LYS NZ :NH3+ -154:sc= 0.939 (180deg=-1.68) USER MOD Single : A 105 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 107 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.87) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.824 -17.444 -7.144 1.00 25.45 N ATOM 2 CA MET A 1 22.328 -17.125 -8.500 1.00 10.14 C ATOM 3 C MET A 1 21.692 -15.736 -8.521 1.00 63.05 C ATOM 4 O MET A 1 20.502 -15.585 -8.234 1.00 73.41 O ATOM 5 CB MET A 1 21.300 -18.175 -8.953 1.00 45.21 C ATOM 6 CG MET A 1 20.698 -17.907 -10.333 1.00 62.44 C ATOM 7 SD MET A 1 19.251 -18.933 -10.679 1.00 62.10 S ATOM 8 CE MET A 1 19.950 -20.578 -10.547 1.00 1.14 C ATOM 0 H1 MET A 1 23.254 -18.391 -7.145 1.00 25.45 H new ATOM 0 H2 MET A 1 23.536 -16.741 -6.861 1.00 25.45 H new ATOM 0 H3 MET A 1 22.031 -17.424 -6.471 1.00 25.45 H new ATOM 0 HA MET A 1 23.174 -17.137 -9.187 1.00 10.14 H new ATOM 0 HB2 MET A 1 21.777 -19.155 -8.961 1.00 45.21 H new ATOM 0 HB3 MET A 1 20.495 -18.219 -8.220 1.00 45.21 H new ATOM 0 HG2 MET A 1 20.418 -16.856 -10.404 1.00 62.44 H new ATOM 0 HG3 MET A 1 21.456 -18.087 -11.096 1.00 62.44 H new ATOM 0 HE1 MET A 1 19.227 -21.310 -10.907 1.00 1.14 H new ATOM 0 HE2 MET A 1 20.857 -20.637 -11.149 1.00 1.14 H new ATOM 0 HE3 MET A 1 20.192 -20.788 -9.505 1.00 1.14 H new ATOM 20 N ILE A 2 22.489 -14.721 -8.833 1.00 5.43 N ATOM 21 CA ILE A 2 21.980 -13.361 -8.951 1.00 71.43 C ATOM 22 C ILE A 2 21.703 -13.041 -10.418 1.00 52.32 C ATOM 23 O ILE A 2 22.570 -12.533 -11.134 1.00 52.34 O ATOM 24 CB ILE A 2 22.962 -12.317 -8.353 1.00 13.11 C ATOM 25 CG1 ILE A 2 23.304 -12.669 -6.894 1.00 43.51 C ATOM 26 CG2 ILE A 2 22.377 -10.905 -8.442 1.00 2.51 C ATOM 27 CD1 ILE A 2 22.106 -12.710 -5.963 1.00 73.31 C ATOM 0 H ILE A 2 23.489 -14.814 -9.009 1.00 5.43 H new ATOM 0 HA ILE A 2 21.054 -13.301 -8.379 1.00 71.43 H new ATOM 0 HB ILE A 2 23.881 -12.342 -8.938 1.00 13.11 H new ATOM 0 HG12 ILE A 2 23.799 -13.640 -6.873 1.00 43.51 H new ATOM 0 HG13 ILE A 2 24.019 -11.939 -6.515 1.00 43.51 H new ATOM 0 HG21 ILE A 2 23.083 -10.191 -8.017 1.00 2.51 H new ATOM 0 HG22 ILE A 2 22.191 -10.653 -9.486 1.00 2.51 H new ATOM 0 HG23 ILE A 2 21.440 -10.864 -7.886 1.00 2.51 H new ATOM 0 HD11 ILE A 2 22.436 -12.965 -4.956 1.00 73.31 H new ATOM 0 HD12 ILE A 2 21.622 -11.733 -5.950 1.00 73.31 H new ATOM 0 HD13 ILE A 2 21.398 -13.461 -6.314 1.00 73.31 H new ATOM 39 N GLY A 3 20.503 -13.392 -10.866 1.00 13.51 N ATOM 40 CA GLY A 3 20.107 -13.134 -12.238 1.00 54.51 C ATOM 41 C GLY A 3 19.521 -11.748 -12.391 1.00 4.52 C ATOM 42 O GLY A 3 18.407 -11.487 -11.919 1.00 35.24 O ATOM 0 H GLY A 3 19.792 -13.854 -10.299 1.00 13.51 H new ATOM 0 HA2 GLY A 3 20.971 -13.240 -12.894 1.00 54.51 H new ATOM 0 HA3 GLY A 3 19.375 -13.877 -12.553 1.00 54.51 H new ATOM 46 N MET A 4 20.275 -10.855 -13.031 1.00 34.41 N ATOM 47 CA MET A 4 19.857 -9.465 -13.202 1.00 23.34 C ATOM 48 C MET A 4 18.614 -9.374 -14.090 1.00 4.23 C ATOM 49 O MET A 4 18.718 -9.283 -15.316 1.00 61.44 O ATOM 50 CB MET A 4 20.993 -8.620 -13.804 1.00 41.31 C ATOM 51 CG MET A 4 22.287 -8.639 -12.998 1.00 53.44 C ATOM 52 SD MET A 4 22.075 -8.044 -11.307 1.00 3.33 S ATOM 53 CE MET A 4 23.757 -8.171 -10.698 1.00 62.14 C ATOM 0 H MET A 4 21.183 -11.072 -13.441 1.00 34.41 H new ATOM 0 HA MET A 4 19.612 -9.070 -12.216 1.00 23.34 H new ATOM 0 HB2 MET A 4 21.202 -8.979 -14.812 1.00 41.31 H new ATOM 0 HB3 MET A 4 20.652 -7.589 -13.897 1.00 41.31 H new ATOM 0 HG2 MET A 4 22.678 -9.656 -12.973 1.00 53.44 H new ATOM 0 HG3 MET A 4 23.032 -8.024 -13.503 1.00 53.44 H new ATOM 0 HE1 MET A 4 23.794 -7.838 -9.661 1.00 62.14 H new ATOM 0 HE2 MET A 4 24.089 -9.207 -10.759 1.00 62.14 H new ATOM 0 HE3 MET A 4 24.412 -7.544 -11.304 1.00 62.14 H new ATOM 63 N SER A 5 17.444 -9.422 -13.466 1.00 32.54 N ATOM 64 CA SER A 5 16.180 -9.303 -14.183 1.00 20.41 C ATOM 65 C SER A 5 15.864 -7.835 -14.476 1.00 11.22 C ATOM 66 O SER A 5 14.863 -7.285 -14.008 1.00 4.15 O ATOM 67 CB SER A 5 15.058 -9.966 -13.373 1.00 45.12 C ATOM 68 OG SER A 5 15.130 -9.604 -12.000 1.00 74.12 O ATOM 0 H SER A 5 17.344 -9.543 -12.458 1.00 32.54 H new ATOM 0 HA SER A 5 16.262 -9.818 -15.140 1.00 20.41 H new ATOM 0 HB2 SER A 5 14.090 -9.671 -13.779 1.00 45.12 H new ATOM 0 HB3 SER A 5 15.128 -11.049 -13.470 1.00 45.12 H new ATOM 0 HG SER A 5 14.949 -8.646 -11.904 1.00 74.12 H new ATOM 74 N GLU A 6 16.744 -7.206 -15.248 1.00 14.40 N ATOM 75 CA GLU A 6 16.592 -5.803 -15.613 1.00 14.31 C ATOM 76 C GLU A 6 15.781 -5.681 -16.902 1.00 41.22 C ATOM 77 O GLU A 6 16.337 -5.565 -18.000 1.00 54.20 O ATOM 78 CB GLU A 6 17.970 -5.144 -15.773 1.00 24.55 C ATOM 79 CG GLU A 6 17.919 -3.640 -16.029 1.00 31.34 C ATOM 80 CD GLU A 6 19.305 -3.026 -16.172 1.00 10.14 C ATOM 81 OE1 GLU A 6 20.027 -2.940 -15.157 1.00 31.11 O ATOM 82 OE2 GLU A 6 19.678 -2.623 -17.294 1.00 34.02 O ATOM 0 H GLU A 6 17.576 -7.651 -15.635 1.00 14.40 H new ATOM 0 HA GLU A 6 16.055 -5.286 -14.818 1.00 14.31 H new ATOM 0 HB2 GLU A 6 18.555 -5.328 -14.872 1.00 24.55 H new ATOM 0 HB3 GLU A 6 18.496 -5.624 -16.598 1.00 24.55 H new ATOM 0 HG2 GLU A 6 17.345 -3.448 -16.935 1.00 31.34 H new ATOM 0 HG3 GLU A 6 17.392 -3.153 -15.209 1.00 31.34 H new ATOM 89 N LYS A 7 14.464 -5.768 -16.762 1.00 14.10 N ATOM 90 CA LYS A 7 13.556 -5.614 -17.891 1.00 24.02 C ATOM 91 C LYS A 7 13.010 -4.192 -17.926 1.00 30.32 C ATOM 92 O LYS A 7 13.317 -3.414 -18.834 1.00 40.22 O ATOM 93 CB LYS A 7 12.396 -6.615 -17.787 1.00 62.43 C ATOM 94 CG LYS A 7 11.392 -6.513 -18.935 1.00 34.22 C ATOM 95 CD LYS A 7 10.175 -7.410 -18.713 1.00 61.24 C ATOM 96 CE LYS A 7 10.558 -8.880 -18.588 1.00 4.03 C ATOM 97 NZ LYS A 7 9.361 -9.748 -18.409 1.00 74.24 N ATOM 0 H LYS A 7 13.999 -5.946 -15.872 1.00 14.10 H new ATOM 0 HA LYS A 7 14.106 -5.811 -18.811 1.00 24.02 H new ATOM 0 HB2 LYS A 7 12.802 -7.626 -17.760 1.00 62.43 H new ATOM 0 HB3 LYS A 7 11.874 -6.456 -16.844 1.00 62.43 H new ATOM 0 HG2 LYS A 7 11.065 -5.478 -19.040 1.00 34.22 H new ATOM 0 HG3 LYS A 7 11.880 -6.789 -19.869 1.00 34.22 H new ATOM 0 HD2 LYS A 7 9.653 -7.094 -17.810 1.00 61.24 H new ATOM 0 HD3 LYS A 7 9.479 -7.287 -19.543 1.00 61.24 H new ATOM 0 HE2 LYS A 7 11.103 -9.191 -19.479 1.00 4.03 H new ATOM 0 HE3 LYS A 7 11.232 -9.010 -17.741 1.00 4.03 H new ATOM 0 HZ1 LYS A 7 9.661 -10.740 -18.328 1.00 74.24 H new ATOM 0 HZ2 LYS A 7 8.855 -9.467 -17.545 1.00 74.24 H new ATOM 0 HZ3 LYS A 7 8.730 -9.643 -19.229 1.00 74.24 H new ATOM 111 N ARG A 8 12.211 -3.861 -16.918 1.00 2.30 N ATOM 112 CA ARG A 8 11.587 -2.551 -16.819 1.00 43.32 C ATOM 113 C ARG A 8 11.076 -2.340 -15.399 1.00 20.13 C ATOM 114 O ARG A 8 10.630 -3.289 -14.751 1.00 32.13 O ATOM 115 CB ARG A 8 10.429 -2.440 -17.820 1.00 42.34 C ATOM 116 CG ARG A 8 9.894 -1.024 -18.000 1.00 35.33 C ATOM 117 CD ARG A 8 8.749 -0.984 -19.003 1.00 43.13 C ATOM 118 NE ARG A 8 9.108 -1.634 -20.269 1.00 32.31 N ATOM 119 CZ ARG A 8 8.228 -1.988 -21.207 1.00 44.53 C ATOM 120 NH1 ARG A 8 6.944 -1.684 -21.071 1.00 63.01 N ATOM 121 NH2 ARG A 8 8.636 -2.634 -22.292 1.00 72.33 N ATOM 0 H ARG A 8 11.980 -4.492 -16.150 1.00 2.30 H new ATOM 0 HA ARG A 8 12.323 -1.782 -17.055 1.00 43.32 H new ATOM 0 HB2 ARG A 8 10.762 -2.817 -18.787 1.00 42.34 H new ATOM 0 HB3 ARG A 8 9.615 -3.085 -17.490 1.00 42.34 H new ATOM 0 HG2 ARG A 8 9.552 -0.638 -17.040 1.00 35.33 H new ATOM 0 HG3 ARG A 8 10.698 -0.370 -18.338 1.00 35.33 H new ATOM 0 HD2 ARG A 8 7.875 -1.477 -18.577 1.00 43.13 H new ATOM 0 HD3 ARG A 8 8.469 0.052 -19.193 1.00 43.13 H new ATOM 0 HE ARG A 8 10.094 -1.828 -20.443 1.00 32.31 H new ATOM 0 HH11 ARG A 8 6.625 -1.177 -20.246 1.00 63.01 H new ATOM 0 HH12 ARG A 8 6.276 -1.957 -21.792 1.00 63.01 H new ATOM 0 HH21 ARG A 8 9.624 -2.860 -22.410 1.00 72.33 H new ATOM 0 HH22 ARG A 8 7.962 -2.904 -23.008 1.00 72.33 H new ATOM 135 N GLY A 9 11.149 -1.106 -14.920 1.00 45.22 N ATOM 136 CA GLY A 9 10.686 -0.796 -13.583 1.00 10.24 C ATOM 137 C GLY A 9 10.607 0.698 -13.348 1.00 3.30 C ATOM 138 O GLY A 9 11.381 1.465 -13.929 1.00 55.52 O ATOM 0 H GLY A 9 11.523 -0.310 -15.437 1.00 45.22 H new ATOM 0 HA2 GLY A 9 9.703 -1.241 -13.426 1.00 10.24 H new ATOM 0 HA3 GLY A 9 11.359 -1.244 -12.852 1.00 10.24 H new ATOM 142 N GLU A 10 9.665 1.110 -12.507 1.00 61.31 N ATOM 143 CA GLU A 10 9.489 2.517 -12.160 1.00 62.34 C ATOM 144 C GLU A 10 9.881 2.735 -10.700 1.00 25.11 C ATOM 145 O GLU A 10 10.839 3.449 -10.398 1.00 20.40 O ATOM 146 CB GLU A 10 8.028 2.936 -12.390 1.00 33.53 C ATOM 147 CG GLU A 10 7.768 4.430 -12.223 1.00 64.31 C ATOM 148 CD GLU A 10 8.491 5.264 -13.267 1.00 4.54 C ATOM 149 OE1 GLU A 10 7.973 5.385 -14.396 1.00 23.25 O ATOM 150 OE2 GLU A 10 9.583 5.791 -12.969 1.00 51.13 O ATOM 0 H GLU A 10 9.005 0.483 -12.048 1.00 61.31 H new ATOM 0 HA GLU A 10 10.129 3.130 -12.795 1.00 62.34 H new ATOM 0 HB2 GLU A 10 7.731 2.638 -13.396 1.00 33.53 H new ATOM 0 HB3 GLU A 10 7.392 2.389 -11.694 1.00 33.53 H new ATOM 0 HG2 GLU A 10 6.697 4.619 -12.289 1.00 64.31 H new ATOM 0 HG3 GLU A 10 8.086 4.742 -11.228 1.00 64.31 H new ATOM 157 N ILE A 11 9.129 2.104 -9.803 1.00 54.02 N ATOM 158 CA ILE A 11 9.389 2.174 -8.368 1.00 53.30 C ATOM 159 C ILE A 11 9.067 0.822 -7.732 1.00 32.41 C ATOM 160 O ILE A 11 7.915 0.539 -7.396 1.00 51.31 O ATOM 161 CB ILE A 11 8.550 3.293 -7.678 1.00 51.44 C ATOM 162 CG1 ILE A 11 8.895 4.679 -8.262 1.00 45.13 C ATOM 163 CG2 ILE A 11 8.772 3.283 -6.163 1.00 11.54 C ATOM 164 CD1 ILE A 11 8.070 5.814 -7.693 1.00 71.30 C ATOM 0 H ILE A 11 8.323 1.530 -10.050 1.00 54.02 H new ATOM 0 HA ILE A 11 10.442 2.418 -8.227 1.00 53.30 H new ATOM 0 HB ILE A 11 7.497 3.091 -7.874 1.00 51.44 H new ATOM 0 HG12 ILE A 11 9.950 4.885 -8.081 1.00 45.13 H new ATOM 0 HG13 ILE A 11 8.757 4.650 -9.343 1.00 45.13 H new ATOM 0 HG21 ILE A 11 8.177 4.072 -5.703 1.00 11.54 H new ATOM 0 HG22 ILE A 11 8.470 2.317 -5.757 1.00 11.54 H new ATOM 0 HG23 ILE A 11 9.827 3.453 -5.949 1.00 11.54 H new ATOM 0 HD11 ILE A 11 8.375 6.753 -8.156 1.00 71.30 H new ATOM 0 HD12 ILE A 11 7.014 5.635 -7.897 1.00 71.30 H new ATOM 0 HD13 ILE A 11 8.226 5.873 -6.616 1.00 71.30 H new ATOM 176 N MET A 12 10.083 -0.023 -7.614 1.00 75.43 N ATOM 177 CA MET A 12 9.925 -1.369 -7.065 1.00 2.24 C ATOM 178 C MET A 12 10.350 -1.407 -5.597 1.00 53.20 C ATOM 179 O MET A 12 11.485 -1.066 -5.256 1.00 52.00 O ATOM 180 CB MET A 12 10.735 -2.384 -7.893 1.00 14.13 C ATOM 181 CG MET A 12 12.171 -1.951 -8.174 1.00 64.21 C ATOM 182 SD MET A 12 12.248 -0.508 -9.261 1.00 10.43 S ATOM 183 CE MET A 12 14.001 -0.144 -9.240 1.00 24.54 C ATOM 0 H MET A 12 11.038 0.201 -7.894 1.00 75.43 H new ATOM 0 HA MET A 12 8.871 -1.642 -7.120 1.00 2.24 H new ATOM 0 HB2 MET A 12 10.751 -3.338 -7.365 1.00 14.13 H new ATOM 0 HB3 MET A 12 10.225 -2.553 -8.841 1.00 14.13 H new ATOM 0 HG2 MET A 12 12.671 -1.722 -7.233 1.00 64.21 H new ATOM 0 HG3 MET A 12 12.715 -2.778 -8.631 1.00 64.21 H new ATOM 0 HE1 MET A 12 14.200 0.724 -9.868 1.00 24.54 H new ATOM 0 HE2 MET A 12 14.317 0.067 -8.218 1.00 24.54 H new ATOM 0 HE3 MET A 12 14.555 -1.002 -9.621 1.00 24.54 H new ATOM 193 N ILE A 13 9.423 -1.816 -4.735 1.00 0.33 N ATOM 194 CA ILE A 13 9.655 -1.865 -3.295 1.00 33.04 C ATOM 195 C ILE A 13 9.800 -3.314 -2.832 1.00 5.52 C ATOM 196 O ILE A 13 8.809 -4.031 -2.699 1.00 24.43 O ATOM 197 CB ILE A 13 8.486 -1.205 -2.517 1.00 44.42 C ATOM 198 CG1 ILE A 13 8.160 0.186 -3.093 1.00 11.21 C ATOM 199 CG2 ILE A 13 8.810 -1.108 -1.023 1.00 2.43 C ATOM 200 CD1 ILE A 13 9.307 1.172 -3.022 1.00 32.32 C ATOM 0 H ILE A 13 8.491 -2.122 -5.015 1.00 0.33 H new ATOM 0 HA ILE A 13 10.574 -1.315 -3.090 1.00 33.04 H new ATOM 0 HB ILE A 13 7.606 -1.837 -2.634 1.00 44.42 H new ATOM 0 HG12 ILE A 13 7.856 0.074 -4.134 1.00 11.21 H new ATOM 0 HG13 ILE A 13 7.307 0.599 -2.555 1.00 11.21 H new ATOM 0 HG21 ILE A 13 7.975 -0.642 -0.499 1.00 2.43 H new ATOM 0 HG22 ILE A 13 8.978 -2.107 -0.621 1.00 2.43 H new ATOM 0 HG23 ILE A 13 9.708 -0.506 -0.884 1.00 2.43 H new ATOM 0 HD11 ILE A 13 8.994 2.125 -3.448 1.00 32.32 H new ATOM 0 HD12 ILE A 13 9.598 1.317 -1.982 1.00 32.32 H new ATOM 0 HD13 ILE A 13 10.156 0.784 -3.585 1.00 32.32 H new ATOM 212 N LEU A 14 11.037 -3.747 -2.618 1.00 41.01 N ATOM 213 CA LEU A 14 11.307 -5.096 -2.121 1.00 3.41 C ATOM 214 C LEU A 14 11.409 -5.072 -0.595 1.00 21.44 C ATOM 215 O LEU A 14 12.355 -4.513 -0.037 1.00 10.20 O ATOM 216 CB LEU A 14 12.602 -5.665 -2.737 1.00 31.30 C ATOM 217 CG LEU A 14 12.549 -5.979 -4.248 1.00 31.12 C ATOM 218 CD1 LEU A 14 12.397 -4.707 -5.080 1.00 73.12 C ATOM 219 CD2 LEU A 14 13.789 -6.759 -4.680 1.00 51.53 C ATOM 0 H LEU A 14 11.872 -3.184 -2.780 1.00 41.01 H new ATOM 0 HA LEU A 14 10.483 -5.746 -2.416 1.00 3.41 H new ATOM 0 HB2 LEU A 14 13.408 -4.953 -2.562 1.00 31.30 H new ATOM 0 HB3 LEU A 14 12.863 -6.579 -2.205 1.00 31.30 H new ATOM 0 HG LEU A 14 11.669 -6.598 -4.426 1.00 31.12 H new ATOM 0 HD11 LEU A 14 12.363 -4.966 -6.138 1.00 73.12 H new ATOM 0 HD12 LEU A 14 11.474 -4.198 -4.801 1.00 73.12 H new ATOM 0 HD13 LEU A 14 13.245 -4.048 -4.895 1.00 73.12 H new ATOM 0 HD21 LEU A 14 13.732 -6.970 -5.748 1.00 51.53 H new ATOM 0 HD22 LEU A 14 14.681 -6.167 -4.474 1.00 51.53 H new ATOM 0 HD23 LEU A 14 13.840 -7.697 -4.127 1.00 51.53 H new ATOM 231 N ILE A 15 10.429 -5.677 0.071 1.00 14.04 N ATOM 232 CA ILE A 15 10.356 -5.667 1.530 1.00 31.43 C ATOM 233 C ILE A 15 9.860 -7.016 2.061 1.00 3.23 C ATOM 234 O ILE A 15 8.904 -7.582 1.529 1.00 22.41 O ATOM 235 CB ILE A 15 9.419 -4.530 2.025 1.00 31.11 C ATOM 236 CG1 ILE A 15 9.312 -4.539 3.558 1.00 51.41 C ATOM 237 CG2 ILE A 15 8.035 -4.648 1.379 1.00 11.03 C ATOM 238 CD1 ILE A 15 8.437 -3.441 4.126 1.00 31.23 C ATOM 0 H ILE A 15 9.668 -6.184 -0.381 1.00 14.04 H new ATOM 0 HA ILE A 15 11.361 -5.488 1.913 1.00 31.43 H new ATOM 0 HB ILE A 15 9.853 -3.576 1.724 1.00 31.11 H new ATOM 0 HG12 ILE A 15 8.918 -5.504 3.878 1.00 51.41 H new ATOM 0 HG13 ILE A 15 10.312 -4.447 3.981 1.00 51.41 H new ATOM 0 HG21 ILE A 15 7.395 -3.842 1.739 1.00 11.03 H new ATOM 0 HG22 ILE A 15 8.132 -4.577 0.296 1.00 11.03 H new ATOM 0 HG23 ILE A 15 7.592 -5.608 1.642 1.00 11.03 H new ATOM 0 HD11 ILE A 15 8.415 -3.519 5.213 1.00 31.23 H new ATOM 0 HD12 ILE A 15 8.840 -2.470 3.840 1.00 31.23 H new ATOM 0 HD13 ILE A 15 7.425 -3.543 3.735 1.00 31.23 H new ATOM 250 N GLN A 16 10.541 -7.533 3.091 1.00 73.24 N ATOM 251 CA GLN A 16 10.151 -8.784 3.758 1.00 12.21 C ATOM 252 C GLN A 16 9.982 -9.924 2.747 1.00 22.40 C ATOM 253 O GLN A 16 9.079 -10.755 2.875 1.00 71.42 O ATOM 254 CB GLN A 16 8.848 -8.581 4.557 1.00 53.21 C ATOM 255 CG GLN A 16 8.954 -7.535 5.664 1.00 3.23 C ATOM 256 CD GLN A 16 9.984 -7.885 6.728 1.00 34.34 C ATOM 257 OE1 GLN A 16 10.240 -9.060 7.006 1.00 13.24 O ATOM 258 NE2 GLN A 16 10.577 -6.869 7.343 1.00 42.41 N ATOM 0 H GLN A 16 11.375 -7.099 3.485 1.00 73.24 H new ATOM 0 HA GLN A 16 10.950 -9.060 4.446 1.00 12.21 H new ATOM 0 HB2 GLN A 16 8.054 -8.288 3.870 1.00 53.21 H new ATOM 0 HB3 GLN A 16 8.552 -9.533 4.998 1.00 53.21 H new ATOM 0 HG2 GLN A 16 9.212 -6.573 5.221 1.00 3.23 H new ATOM 0 HG3 GLN A 16 7.979 -7.417 6.137 1.00 3.23 H new ATOM 0 HE21 GLN A 16 10.341 -5.910 7.087 1.00 42.41 H new ATOM 0 HE22 GLN A 16 11.269 -7.047 8.071 1.00 42.41 H new ATOM 267 N ASN A 17 10.883 -9.972 1.762 1.00 30.33 N ATOM 268 CA ASN A 17 10.813 -10.957 0.677 1.00 61.54 C ATOM 269 C ASN A 17 9.489 -10.839 -0.078 1.00 12.15 C ATOM 270 O ASN A 17 8.831 -11.841 -0.386 1.00 25.20 O ATOM 271 CB ASN A 17 11.008 -12.393 1.204 1.00 24.32 C ATOM 272 CG ASN A 17 12.447 -12.690 1.593 1.00 41.44 C ATOM 273 OD1 ASN A 17 13.385 -12.124 1.031 1.00 60.45 O ATOM 274 ND2 ASN A 17 12.634 -13.596 2.537 1.00 11.44 N ATOM 0 H ASN A 17 11.676 -9.335 1.693 1.00 30.33 H new ATOM 0 HA ASN A 17 11.628 -10.742 -0.015 1.00 61.54 H new ATOM 0 HB2 ASN A 17 10.364 -12.548 2.069 1.00 24.32 H new ATOM 0 HB3 ASN A 17 10.690 -13.102 0.439 1.00 24.32 H new ATOM 0 HD21 ASN A 17 13.580 -13.847 2.822 1.00 11.44 H new ATOM 0 HD22 ASN A 17 11.832 -14.044 2.980 1.00 11.44 H new ATOM 281 N ALA A 18 9.101 -9.604 -0.360 1.00 63.03 N ATOM 282 CA ALA A 18 7.934 -9.319 -1.181 1.00 4.11 C ATOM 283 C ALA A 18 8.230 -8.141 -2.103 1.00 63.34 C ATOM 284 O ALA A 18 8.533 -7.043 -1.638 1.00 60.24 O ATOM 285 CB ALA A 18 6.718 -9.031 -0.307 1.00 42.01 C ATOM 0 H ALA A 18 9.586 -8.771 -0.026 1.00 63.03 H new ATOM 0 HA ALA A 18 7.707 -10.194 -1.790 1.00 4.11 H new ATOM 0 HB1 ALA A 18 5.856 -8.820 -0.940 1.00 42.01 H new ATOM 0 HB2 ALA A 18 6.506 -9.898 0.318 1.00 42.01 H new ATOM 0 HB3 ALA A 18 6.922 -8.168 0.327 1.00 42.01 H new ATOM 291 N GLU A 19 8.173 -8.386 -3.408 1.00 2.53 N ATOM 292 CA GLU A 19 8.475 -7.360 -4.402 1.00 25.35 C ATOM 293 C GLU A 19 7.192 -6.647 -4.828 1.00 15.51 C ATOM 294 O GLU A 19 6.282 -7.268 -5.375 1.00 52.04 O ATOM 295 CB GLU A 19 9.166 -7.999 -5.618 1.00 61.14 C ATOM 296 CG GLU A 19 9.788 -6.995 -6.584 1.00 72.32 C ATOM 297 CD GLU A 19 10.470 -7.660 -7.775 1.00 71.52 C ATOM 298 OE1 GLU A 19 11.236 -8.628 -7.569 1.00 51.44 O ATOM 299 OE2 GLU A 19 10.260 -7.211 -8.922 1.00 50.21 O ATOM 0 H GLU A 19 7.919 -9.291 -3.804 1.00 2.53 H new ATOM 0 HA GLU A 19 9.149 -6.624 -3.963 1.00 25.35 H new ATOM 0 HB2 GLU A 19 9.944 -8.676 -5.265 1.00 61.14 H new ATOM 0 HB3 GLU A 19 8.438 -8.604 -6.159 1.00 61.14 H new ATOM 0 HG2 GLU A 19 9.013 -6.319 -6.946 1.00 72.32 H new ATOM 0 HG3 GLU A 19 10.516 -6.386 -6.048 1.00 72.32 H new ATOM 306 N PHE A 20 7.112 -5.354 -4.542 1.00 55.41 N ATOM 307 CA PHE A 20 5.961 -4.537 -4.928 1.00 73.31 C ATOM 308 C PHE A 20 6.382 -3.471 -5.936 1.00 5.24 C ATOM 309 O PHE A 20 7.571 -3.232 -6.134 1.00 12.03 O ATOM 310 CB PHE A 20 5.348 -3.846 -3.699 1.00 53.32 C ATOM 311 CG PHE A 20 4.816 -4.787 -2.644 1.00 33.53 C ATOM 312 CD1 PHE A 20 3.513 -5.261 -2.709 1.00 64.13 C ATOM 313 CD2 PHE A 20 5.616 -5.184 -1.582 1.00 12.01 C ATOM 314 CE1 PHE A 20 3.022 -6.114 -1.737 1.00 45.00 C ATOM 315 CE2 PHE A 20 5.127 -6.037 -0.609 1.00 22.14 C ATOM 316 CZ PHE A 20 3.829 -6.502 -0.687 1.00 3.04 C ATOM 0 H PHE A 20 7.836 -4.841 -4.039 1.00 55.41 H new ATOM 0 HA PHE A 20 5.219 -5.196 -5.378 1.00 73.31 H new ATOM 0 HB2 PHE A 20 6.103 -3.204 -3.246 1.00 53.32 H new ATOM 0 HB3 PHE A 20 4.537 -3.198 -4.031 1.00 53.32 H new ATOM 0 HD1 PHE A 20 2.876 -4.961 -3.527 1.00 64.13 H new ATOM 0 HD2 PHE A 20 6.632 -4.823 -1.514 1.00 12.01 H new ATOM 0 HE1 PHE A 20 2.007 -6.476 -1.800 1.00 45.00 H new ATOM 0 HE2 PHE A 20 5.760 -6.339 0.212 1.00 22.14 H new ATOM 0 HZ PHE A 20 3.446 -7.168 0.072 1.00 3.04 H new ATOM 326 N GLU A 21 5.401 -2.835 -6.567 1.00 32.31 N ATOM 327 CA GLU A 21 5.652 -1.675 -7.412 1.00 62.32 C ATOM 328 C GLU A 21 4.636 -0.583 -7.093 1.00 14.24 C ATOM 329 O GLU A 21 3.477 -0.876 -6.781 1.00 10.12 O ATOM 330 CB GLU A 21 5.579 -2.034 -8.905 1.00 32.52 C ATOM 331 CG GLU A 21 4.168 -2.308 -9.419 1.00 10.14 C ATOM 332 CD GLU A 21 4.109 -2.421 -10.935 1.00 3.31 C ATOM 333 OE1 GLU A 21 4.594 -1.495 -11.622 1.00 54.42 O ATOM 334 OE2 GLU A 21 3.571 -3.427 -11.449 1.00 64.23 O ATOM 0 H GLU A 21 4.419 -3.106 -6.508 1.00 32.31 H new ATOM 0 HA GLU A 21 6.661 -1.318 -7.205 1.00 62.32 H new ATOM 0 HB2 GLU A 21 6.012 -1.218 -9.484 1.00 32.52 H new ATOM 0 HB3 GLU A 21 6.196 -2.915 -9.085 1.00 32.52 H new ATOM 0 HG2 GLU A 21 3.797 -3.231 -8.975 1.00 10.14 H new ATOM 0 HG3 GLU A 21 3.504 -1.508 -9.092 1.00 10.14 H new ATOM 341 N LEU A 22 5.072 0.665 -7.149 1.00 33.40 N ATOM 342 CA LEU A 22 4.189 1.798 -6.913 1.00 33.11 C ATOM 343 C LEU A 22 3.414 2.122 -8.191 1.00 43.12 C ATOM 344 O LEU A 22 3.950 2.734 -9.119 1.00 33.31 O ATOM 345 CB LEU A 22 5.002 3.014 -6.438 1.00 35.23 C ATOM 346 CG LEU A 22 4.183 4.270 -6.083 1.00 45.31 C ATOM 347 CD1 LEU A 22 3.160 3.963 -4.990 1.00 63.30 C ATOM 348 CD2 LEU A 22 5.108 5.405 -5.649 1.00 61.24 C ATOM 0 H LEU A 22 6.037 0.921 -7.357 1.00 33.40 H new ATOM 0 HA LEU A 22 3.475 1.543 -6.130 1.00 33.11 H new ATOM 0 HB2 LEU A 22 5.581 2.721 -5.562 1.00 35.23 H new ATOM 0 HB3 LEU A 22 5.716 3.277 -7.218 1.00 35.23 H new ATOM 0 HG LEU A 22 3.641 4.586 -6.974 1.00 45.31 H new ATOM 0 HD11 LEU A 22 2.595 4.865 -4.757 1.00 63.30 H new ATOM 0 HD12 LEU A 22 2.478 3.187 -5.338 1.00 63.30 H new ATOM 0 HD13 LEU A 22 3.677 3.617 -4.095 1.00 63.30 H new ATOM 0 HD21 LEU A 22 4.514 6.285 -5.402 1.00 61.24 H new ATOM 0 HD22 LEU A 22 5.678 5.095 -4.774 1.00 61.24 H new ATOM 0 HD23 LEU A 22 5.793 5.647 -6.461 1.00 61.24 H new ATOM 360 N VAL A 23 2.159 1.684 -8.246 1.00 74.31 N ATOM 361 CA VAL A 23 1.325 1.879 -9.432 1.00 24.12 C ATOM 362 C VAL A 23 0.596 3.220 -9.379 1.00 22.14 C ATOM 363 O VAL A 23 0.311 3.823 -10.415 1.00 44.44 O ATOM 364 CB VAL A 23 0.291 0.732 -9.609 1.00 53.22 C ATOM 365 CG1 VAL A 23 0.998 -0.609 -9.784 1.00 44.43 C ATOM 366 CG2 VAL A 23 -0.682 0.678 -8.433 1.00 23.43 C ATOM 0 H VAL A 23 1.695 1.191 -7.483 1.00 74.31 H new ATOM 0 HA VAL A 23 1.997 1.871 -10.290 1.00 24.12 H new ATOM 0 HB VAL A 23 -0.285 0.939 -10.511 1.00 53.22 H new ATOM 0 HG11 VAL A 23 0.256 -1.398 -9.906 1.00 44.43 H new ATOM 0 HG12 VAL A 23 1.636 -0.571 -10.667 1.00 44.43 H new ATOM 0 HG13 VAL A 23 1.607 -0.817 -8.904 1.00 44.43 H new ATOM 0 HG21 VAL A 23 -1.393 -0.134 -8.586 1.00 23.43 H new ATOM 0 HG22 VAL A 23 -0.128 0.507 -7.510 1.00 23.43 H new ATOM 0 HG23 VAL A 23 -1.221 1.623 -8.363 1.00 23.43 H new ATOM 376 N HIS A 24 0.309 3.695 -8.169 1.00 40.30 N ATOM 377 CA HIS A 24 -0.397 4.960 -7.991 1.00 33.24 C ATOM 378 C HIS A 24 0.082 5.669 -6.734 1.00 44.35 C ATOM 379 O HIS A 24 0.195 5.054 -5.677 1.00 35.24 O ATOM 380 CB HIS A 24 -1.913 4.723 -7.914 1.00 63.44 C ATOM 381 CG HIS A 24 -2.725 5.986 -7.861 1.00 33.44 C ATOM 382 ND1 HIS A 24 -2.885 6.824 -8.944 1.00 12.43 N ATOM 383 CD2 HIS A 24 -3.417 6.556 -6.847 1.00 15.54 C ATOM 384 CE1 HIS A 24 -3.640 7.849 -8.597 1.00 62.40 C ATOM 385 NE2 HIS A 24 -3.984 7.713 -7.331 1.00 42.02 N ATOM 0 H HIS A 24 0.554 3.223 -7.299 1.00 40.30 H new ATOM 0 HA HIS A 24 -0.182 5.593 -8.852 1.00 33.24 H new ATOM 0 HB2 HIS A 24 -2.224 4.139 -8.780 1.00 63.44 H new ATOM 0 HB3 HIS A 24 -2.133 4.124 -7.030 1.00 63.44 H new ATOM 0 HD1 HIS A 24 -2.482 6.675 -9.869 1.00 12.43 H new ATOM 0 HD2 HIS A 24 -3.508 6.173 -5.841 1.00 15.54 H new ATOM 0 HE1 HIS A 24 -3.929 8.665 -9.243 1.00 62.40 H new ATOM 394 N ASN A 25 0.353 6.961 -6.855 1.00 75.21 N ATOM 395 CA ASN A 25 0.805 7.769 -5.726 1.00 33.52 C ATOM 396 C ASN A 25 0.140 9.136 -5.783 1.00 2.41 C ATOM 397 O ASN A 25 0.449 9.951 -6.651 1.00 64.05 O ATOM 398 CB ASN A 25 2.331 7.909 -5.755 1.00 3.41 C ATOM 399 CG ASN A 25 2.881 8.751 -4.612 1.00 22.13 C ATOM 400 OD1 ASN A 25 2.282 8.849 -3.539 1.00 62.32 O ATOM 401 ND2 ASN A 25 4.042 9.345 -4.832 1.00 43.45 N ATOM 0 H ASN A 25 0.267 7.477 -7.730 1.00 75.21 H new ATOM 0 HA ASN A 25 0.525 7.278 -4.794 1.00 33.52 H new ATOM 0 HB2 ASN A 25 2.781 6.917 -5.715 1.00 3.41 H new ATOM 0 HB3 ASN A 25 2.630 8.356 -6.703 1.00 3.41 H new ATOM 0 HD21 ASN A 25 4.473 9.909 -4.100 1.00 43.45 H new ATOM 0 HD22 ASN A 25 4.506 9.239 -5.734 1.00 43.45 H new ATOM 408 N PHE A 26 -0.791 9.368 -4.866 1.00 2.05 N ATOM 409 CA PHE A 26 -1.570 10.598 -4.840 1.00 51.33 C ATOM 410 C PHE A 26 -0.921 11.628 -3.924 1.00 23.13 C ATOM 411 O PHE A 26 -0.630 11.335 -2.759 1.00 2.42 O ATOM 412 CB PHE A 26 -3.001 10.301 -4.372 1.00 60.30 C ATOM 413 CG PHE A 26 -3.896 11.519 -4.305 1.00 54.01 C ATOM 414 CD1 PHE A 26 -4.055 12.342 -5.409 1.00 25.53 C ATOM 415 CD2 PHE A 26 -4.592 11.828 -3.141 1.00 1.51 C ATOM 416 CE1 PHE A 26 -4.886 13.444 -5.358 1.00 14.05 C ATOM 417 CE2 PHE A 26 -5.420 12.931 -3.085 1.00 53.20 C ATOM 418 CZ PHE A 26 -5.570 13.739 -4.195 1.00 24.52 C ATOM 0 H PHE A 26 -1.026 8.711 -4.122 1.00 2.05 H new ATOM 0 HA PHE A 26 -1.602 11.009 -5.849 1.00 51.33 H new ATOM 0 HB2 PHE A 26 -3.448 9.572 -5.047 1.00 60.30 H new ATOM 0 HB3 PHE A 26 -2.960 9.839 -3.386 1.00 60.30 H new ATOM 0 HD1 PHE A 26 -3.522 12.119 -6.321 1.00 25.53 H new ATOM 0 HD2 PHE A 26 -4.483 11.198 -2.271 1.00 1.51 H new ATOM 0 HE1 PHE A 26 -5.001 14.075 -6.227 1.00 14.05 H new ATOM 0 HE2 PHE A 26 -5.951 13.162 -2.173 1.00 53.20 H new ATOM 0 HZ PHE A 26 -6.221 14.600 -4.154 1.00 24.52 H new ATOM 428 N LYS A 27 -0.682 12.822 -4.469 1.00 43.32 N ATOM 429 CA LYS A 27 -0.152 13.951 -3.704 1.00 21.13 C ATOM 430 C LYS A 27 1.225 13.631 -3.111 1.00 31.55 C ATOM 431 O LYS A 27 1.650 14.260 -2.139 1.00 41.15 O ATOM 432 CB LYS A 27 -1.134 14.347 -2.587 1.00 2.53 C ATOM 433 CG LYS A 27 -2.505 14.830 -3.069 1.00 23.23 C ATOM 434 CD LYS A 27 -2.432 16.089 -3.943 1.00 23.12 C ATOM 435 CE LYS A 27 -2.380 15.762 -5.434 1.00 72.21 C ATOM 436 NZ LYS A 27 -2.126 16.970 -6.266 1.00 51.40 N ATOM 0 H LYS A 27 -0.850 13.033 -5.453 1.00 43.32 H new ATOM 0 HA LYS A 27 -0.033 14.791 -4.389 1.00 21.13 H new ATOM 0 HB2 LYS A 27 -1.278 13.489 -1.930 1.00 2.53 H new ATOM 0 HB3 LYS A 27 -0.679 15.135 -1.987 1.00 2.53 H new ATOM 0 HG2 LYS A 27 -2.986 14.031 -3.634 1.00 23.23 H new ATOM 0 HG3 LYS A 27 -3.136 15.033 -2.204 1.00 23.23 H new ATOM 0 HD2 LYS A 27 -3.299 16.718 -3.742 1.00 23.12 H new ATOM 0 HD3 LYS A 27 -1.549 16.667 -3.670 1.00 23.12 H new ATOM 0 HE2 LYS A 27 -1.596 15.026 -5.616 1.00 72.21 H new ATOM 0 HE3 LYS A 27 -3.322 15.306 -5.737 1.00 72.21 H new ATOM 0 HZ1 LYS A 27 -2.099 16.701 -7.270 1.00 51.40 H new ATOM 0 HZ2 LYS A 27 -2.887 17.663 -6.114 1.00 51.40 H new ATOM 0 HZ3 LYS A 27 -1.215 17.392 -5.996 1.00 51.40 H new ATOM 450 N ASP A 28 1.928 12.674 -3.724 1.00 43.32 N ATOM 451 CA ASP A 28 3.252 12.245 -3.256 1.00 43.30 C ATOM 452 C ASP A 28 3.191 11.764 -1.805 1.00 51.32 C ATOM 453 O ASP A 28 4.114 11.991 -1.018 1.00 74.30 O ATOM 454 CB ASP A 28 4.294 13.372 -3.410 1.00 61.13 C ATOM 455 CG ASP A 28 4.785 13.533 -4.843 1.00 11.33 C ATOM 456 OD1 ASP A 28 5.602 12.702 -5.288 1.00 43.05 O ATOM 457 OD2 ASP A 28 4.359 14.491 -5.528 1.00 13.41 O ATOM 0 H ASP A 28 1.600 12.177 -4.552 1.00 43.32 H new ATOM 0 HA ASP A 28 3.566 11.409 -3.881 1.00 43.30 H new ATOM 0 HB2 ASP A 28 3.857 14.312 -3.073 1.00 61.13 H new ATOM 0 HB3 ASP A 28 5.145 13.165 -2.761 1.00 61.13 H new ATOM 462 N GLY A 29 2.106 11.069 -1.470 1.00 62.32 N ATOM 463 CA GLY A 29 1.918 10.570 -0.115 1.00 15.44 C ATOM 464 C GLY A 29 2.748 9.332 0.179 1.00 2.14 C ATOM 465 O GLY A 29 2.710 8.804 1.292 1.00 33.03 O ATOM 0 H GLY A 29 1.350 10.841 -2.115 1.00 62.32 H new ATOM 0 HA2 GLY A 29 2.180 11.354 0.595 1.00 15.44 H new ATOM 0 HA3 GLY A 29 0.864 10.340 0.039 1.00 15.44 H new ATOM 469 N PHE A 30 3.486 8.858 -0.821 1.00 32.22 N ATOM 470 CA PHE A 30 4.325 7.675 -0.665 1.00 33.43 C ATOM 471 C PHE A 30 5.526 7.964 0.240 1.00 12.23 C ATOM 472 O PHE A 30 6.529 8.529 -0.200 1.00 44.21 O ATOM 473 CB PHE A 30 4.803 7.157 -2.033 1.00 22.50 C ATOM 474 CG PHE A 30 5.692 5.941 -1.942 1.00 23.42 C ATOM 475 CD1 PHE A 30 5.164 4.705 -1.592 1.00 2.22 C ATOM 476 CD2 PHE A 30 7.055 6.034 -2.192 1.00 51.45 C ATOM 477 CE1 PHE A 30 5.976 3.591 -1.498 1.00 23.43 C ATOM 478 CE2 PHE A 30 7.870 4.924 -2.097 1.00 33.11 C ATOM 479 CZ PHE A 30 7.330 3.702 -1.749 1.00 3.31 C ATOM 0 H PHE A 30 3.519 9.277 -1.750 1.00 32.22 H new ATOM 0 HA PHE A 30 3.719 6.902 -0.193 1.00 33.43 H new ATOM 0 HB2 PHE A 30 3.934 6.916 -2.645 1.00 22.50 H new ATOM 0 HB3 PHE A 30 5.343 7.954 -2.545 1.00 22.50 H new ATOM 0 HD1 PHE A 30 4.107 4.614 -1.391 1.00 2.22 H new ATOM 0 HD2 PHE A 30 7.483 6.987 -2.464 1.00 51.45 H new ATOM 0 HE1 PHE A 30 5.553 2.635 -1.229 1.00 23.43 H new ATOM 0 HE2 PHE A 30 8.928 5.011 -2.295 1.00 33.11 H new ATOM 0 HZ PHE A 30 7.966 2.833 -1.673 1.00 3.31 H new ATOM 489 N ASN A 31 5.404 7.599 1.513 1.00 71.13 N ATOM 490 CA ASN A 31 6.522 7.663 2.453 1.00 3.12 C ATOM 491 C ASN A 31 6.936 6.250 2.847 1.00 1.02 C ATOM 492 O ASN A 31 6.268 5.601 3.659 1.00 45.34 O ATOM 493 CB ASN A 31 6.155 8.478 3.706 1.00 33.11 C ATOM 494 CG ASN A 31 6.021 9.969 3.425 1.00 75.11 C ATOM 495 OD1 ASN A 31 4.943 10.456 3.086 1.00 72.20 O ATOM 496 ND2 ASN A 31 7.115 10.704 3.570 1.00 63.51 N ATOM 0 H ASN A 31 4.535 7.253 1.921 1.00 71.13 H new ATOM 0 HA ASN A 31 7.356 8.166 1.963 1.00 3.12 H new ATOM 0 HB2 ASN A 31 5.216 8.104 4.114 1.00 33.11 H new ATOM 0 HB3 ASN A 31 6.918 8.324 4.469 1.00 33.11 H new ATOM 0 HD21 ASN A 31 7.081 11.709 3.399 1.00 63.51 H new ATOM 0 HD22 ASN A 31 7.991 10.264 3.853 1.00 63.51 H new ATOM 503 N GLU A 32 8.031 5.771 2.255 1.00 43.12 N ATOM 504 CA GLU A 32 8.511 4.409 2.484 1.00 41.21 C ATOM 505 C GLU A 32 8.717 4.152 3.973 1.00 2.14 C ATOM 506 O GLU A 32 8.348 3.097 4.485 1.00 64.05 O ATOM 507 CB GLU A 32 9.835 4.172 1.745 1.00 21.43 C ATOM 508 CG GLU A 32 10.380 2.758 1.916 1.00 70.41 C ATOM 509 CD GLU A 32 11.870 2.658 1.637 1.00 24.21 C ATOM 510 OE1 GLU A 32 12.669 2.846 2.583 1.00 50.02 O ATOM 511 OE2 GLU A 32 12.252 2.378 0.484 1.00 64.32 O ATOM 0 H GLU A 32 8.606 6.312 1.609 1.00 43.12 H new ATOM 0 HA GLU A 32 7.755 3.722 2.102 1.00 41.21 H new ATOM 0 HB2 GLU A 32 9.691 4.372 0.683 1.00 21.43 H new ATOM 0 HB3 GLU A 32 10.576 4.885 2.106 1.00 21.43 H new ATOM 0 HG2 GLU A 32 10.183 2.419 2.933 1.00 70.41 H new ATOM 0 HG3 GLU A 32 9.845 2.085 1.246 1.00 70.41 H new ATOM 518 N GLU A 33 9.296 5.133 4.657 1.00 50.21 N ATOM 519 CA GLU A 33 9.608 5.017 6.078 1.00 65.43 C ATOM 520 C GLU A 33 8.376 4.604 6.885 1.00 43.10 C ATOM 521 O GLU A 33 8.464 3.778 7.795 1.00 71.51 O ATOM 522 CB GLU A 33 10.172 6.341 6.606 1.00 2.03 C ATOM 523 CG GLU A 33 9.211 7.519 6.476 1.00 62.41 C ATOM 524 CD GLU A 33 9.787 8.804 7.047 1.00 11.25 C ATOM 525 OE1 GLU A 33 9.871 8.919 8.288 1.00 24.24 O ATOM 526 OE2 GLU A 33 10.172 9.691 6.259 1.00 65.14 O ATOM 0 H GLU A 33 9.561 6.027 4.245 1.00 50.21 H new ATOM 0 HA GLU A 33 10.361 4.238 6.196 1.00 65.43 H new ATOM 0 HB2 GLU A 33 10.440 6.218 7.655 1.00 2.03 H new ATOM 0 HB3 GLU A 33 11.091 6.573 6.068 1.00 2.03 H new ATOM 0 HG2 GLU A 33 8.966 7.670 5.425 1.00 62.41 H new ATOM 0 HG3 GLU A 33 8.279 7.282 6.990 1.00 62.41 H new ATOM 533 N ALA A 34 7.225 5.171 6.534 1.00 75.11 N ATOM 534 CA ALA A 34 5.976 4.869 7.224 1.00 52.21 C ATOM 535 C ALA A 34 5.462 3.495 6.804 1.00 14.45 C ATOM 536 O ALA A 34 4.992 2.710 7.628 1.00 22.42 O ATOM 537 CB ALA A 34 4.939 5.952 6.935 1.00 21.11 C ATOM 0 H ALA A 34 7.132 5.844 5.773 1.00 75.11 H new ATOM 0 HA ALA A 34 6.159 4.851 8.298 1.00 52.21 H new ATOM 0 HB1 ALA A 34 4.011 5.715 7.456 1.00 21.11 H new ATOM 0 HB2 ALA A 34 5.313 6.916 7.281 1.00 21.11 H new ATOM 0 HB3 ALA A 34 4.751 5.999 5.862 1.00 21.11 H new ATOM 543 N PHE A 35 5.583 3.217 5.510 1.00 0.34 N ATOM 544 CA PHE A 35 5.149 1.949 4.930 1.00 54.35 C ATOM 545 C PHE A 35 5.853 0.765 5.600 1.00 22.21 C ATOM 546 O PHE A 35 5.209 -0.109 6.182 1.00 63.23 O ATOM 547 CB PHE A 35 5.433 1.956 3.414 1.00 43.45 C ATOM 548 CG PHE A 35 5.231 0.623 2.730 1.00 13.22 C ATOM 549 CD1 PHE A 35 3.972 0.225 2.309 1.00 62.03 C ATOM 550 CD2 PHE A 35 6.307 -0.227 2.506 1.00 23.44 C ATOM 551 CE1 PHE A 35 3.790 -0.992 1.680 1.00 24.23 C ATOM 552 CE2 PHE A 35 6.129 -1.442 1.878 1.00 32.23 C ATOM 553 CZ PHE A 35 4.870 -1.828 1.464 1.00 43.21 C ATOM 0 H PHE A 35 5.985 3.865 4.832 1.00 0.34 H new ATOM 0 HA PHE A 35 4.078 1.835 5.099 1.00 54.35 H new ATOM 0 HB2 PHE A 35 4.787 2.695 2.940 1.00 43.45 H new ATOM 0 HB3 PHE A 35 6.461 2.281 3.252 1.00 43.45 H new ATOM 0 HD1 PHE A 35 3.124 0.873 2.474 1.00 62.03 H new ATOM 0 HD2 PHE A 35 7.295 0.067 2.828 1.00 23.44 H new ATOM 0 HE1 PHE A 35 2.804 -1.290 1.357 1.00 24.23 H new ATOM 0 HE2 PHE A 35 6.975 -2.092 1.710 1.00 32.23 H new ATOM 0 HZ PHE A 35 4.729 -2.780 0.973 1.00 43.21 H new ATOM 563 N LYS A 36 7.179 0.767 5.538 1.00 23.11 N ATOM 564 CA LYS A 36 7.981 -0.360 6.008 1.00 12.21 C ATOM 565 C LYS A 36 7.904 -0.504 7.527 1.00 62.05 C ATOM 566 O LYS A 36 8.210 -1.564 8.076 1.00 2.53 O ATOM 567 CB LYS A 36 9.430 -0.183 5.550 1.00 22.00 C ATOM 568 CG LYS A 36 10.145 1.002 6.194 1.00 0.44 C ATOM 569 CD LYS A 36 11.348 1.458 5.373 1.00 53.32 C ATOM 570 CE LYS A 36 12.304 0.312 5.053 1.00 40.34 C ATOM 571 NZ LYS A 36 13.454 0.769 4.231 1.00 72.14 N ATOM 0 H LYS A 36 7.727 1.542 5.164 1.00 23.11 H new ATOM 0 HA LYS A 36 7.579 -1.277 5.577 1.00 12.21 H new ATOM 0 HB2 LYS A 36 9.985 -1.094 5.774 1.00 22.00 H new ATOM 0 HB3 LYS A 36 9.445 -0.059 4.467 1.00 22.00 H new ATOM 0 HG2 LYS A 36 9.446 1.831 6.304 1.00 0.44 H new ATOM 0 HG3 LYS A 36 10.473 0.726 7.196 1.00 0.44 H new ATOM 0 HD2 LYS A 36 11.000 1.907 4.443 1.00 53.32 H new ATOM 0 HD3 LYS A 36 11.885 2.233 5.920 1.00 53.32 H new ATOM 0 HE2 LYS A 36 12.671 -0.125 5.981 1.00 40.34 H new ATOM 0 HE3 LYS A 36 11.766 -0.473 4.522 1.00 40.34 H new ATOM 0 HZ1 LYS A 36 13.928 -0.055 3.809 1.00 72.14 H new ATOM 0 HZ2 LYS A 36 13.113 1.397 3.476 1.00 72.14 H new ATOM 0 HZ3 LYS A 36 14.127 1.285 4.833 1.00 72.14 H new ATOM 585 N ALA A 37 7.503 0.572 8.200 1.00 12.53 N ATOM 586 CA ALA A 37 7.359 0.568 9.653 1.00 15.21 C ATOM 587 C ALA A 37 6.028 -0.056 10.064 1.00 13.23 C ATOM 588 O ALA A 37 5.964 -0.857 11.000 1.00 54.11 O ATOM 589 CB ALA A 37 7.476 1.988 10.202 1.00 21.51 C ATOM 0 H ALA A 37 7.271 1.462 7.759 1.00 12.53 H new ATOM 0 HA ALA A 37 8.162 -0.036 10.075 1.00 15.21 H new ATOM 0 HB1 ALA A 37 7.367 1.969 11.286 1.00 21.51 H new ATOM 0 HB2 ALA A 37 8.452 2.399 9.943 1.00 21.51 H new ATOM 0 HB3 ALA A 37 6.693 2.611 9.769 1.00 21.51 H new ATOM 595 N ARG A 38 4.965 0.304 9.348 1.00 1.12 N ATOM 596 CA ARG A 38 3.616 -0.170 9.671 1.00 74.53 C ATOM 597 C ARG A 38 3.304 -1.488 8.957 1.00 71.35 C ATOM 598 O ARG A 38 2.259 -2.096 9.199 1.00 53.13 O ATOM 599 CB ARG A 38 2.568 0.887 9.290 1.00 42.11 C ATOM 600 CG ARG A 38 2.741 2.245 9.976 1.00 51.03 C ATOM 601 CD ARG A 38 2.578 2.172 11.496 1.00 30.22 C ATOM 602 NE ARG A 38 3.752 1.593 12.160 1.00 54.20 N ATOM 603 CZ ARG A 38 4.728 2.308 12.724 1.00 74.03 C ATOM 604 NH1 ARG A 38 4.667 3.635 12.731 1.00 35.35 N ATOM 605 NH2 ARG A 38 5.753 1.693 13.294 1.00 31.15 N ATOM 0 H ARG A 38 5.009 0.923 8.539 1.00 1.12 H new ATOM 0 HA ARG A 38 3.576 -0.343 10.746 1.00 74.53 H new ATOM 0 HB2 ARG A 38 2.599 1.035 8.211 1.00 42.11 H new ATOM 0 HB3 ARG A 38 1.578 0.499 9.530 1.00 42.11 H new ATOM 0 HG2 ARG A 38 3.729 2.642 9.741 1.00 51.03 H new ATOM 0 HG3 ARG A 38 2.011 2.946 9.571 1.00 51.03 H new ATOM 0 HD2 ARG A 38 2.400 3.174 11.888 1.00 30.22 H new ATOM 0 HD3 ARG A 38 1.698 1.575 11.736 1.00 30.22 H new ATOM 0 HE ARG A 38 3.827 0.576 12.193 1.00 54.20 H new ATOM 0 HH11 ARG A 38 3.872 4.111 12.304 1.00 35.35 H new ATOM 0 HH12 ARG A 38 5.415 4.178 13.163 1.00 35.35 H new ATOM 0 HH21 ARG A 38 5.796 0.674 13.302 1.00 31.15 H new ATOM 0 HH22 ARG A 38 6.499 2.238 13.725 1.00 31.15 H new ATOM 619 N TYR A 39 4.210 -1.920 8.080 1.00 5.11 N ATOM 620 CA TYR A 39 4.026 -3.163 7.328 1.00 72.22 C ATOM 621 C TYR A 39 3.830 -4.341 8.282 1.00 54.13 C ATOM 622 O TYR A 39 4.494 -4.432 9.317 1.00 15.23 O ATOM 623 CB TYR A 39 5.225 -3.419 6.400 1.00 73.51 C ATOM 624 CG TYR A 39 5.016 -4.581 5.439 1.00 10.12 C ATOM 625 CD1 TYR A 39 4.247 -4.427 4.286 1.00 32.44 C ATOM 626 CD2 TYR A 39 5.582 -5.829 5.682 1.00 32.43 C ATOM 627 CE1 TYR A 39 4.051 -5.479 3.410 1.00 2.22 C ATOM 628 CE2 TYR A 39 5.390 -6.885 4.809 1.00 41.24 C ATOM 629 CZ TYR A 39 4.626 -6.704 3.675 1.00 53.04 C ATOM 630 OH TYR A 39 4.438 -7.753 2.803 1.00 50.55 O ATOM 0 H TYR A 39 5.079 -1.428 7.872 1.00 5.11 H new ATOM 0 HA TYR A 39 3.132 -3.061 6.713 1.00 72.22 H new ATOM 0 HB2 TYR A 39 5.428 -2.515 5.825 1.00 73.51 H new ATOM 0 HB3 TYR A 39 6.108 -3.616 7.008 1.00 73.51 H new ATOM 0 HD1 TYR A 39 3.796 -3.469 4.073 1.00 32.44 H new ATOM 0 HD2 TYR A 39 6.182 -5.976 6.568 1.00 32.43 H new ATOM 0 HE1 TYR A 39 3.451 -5.342 2.523 1.00 2.22 H new ATOM 0 HE2 TYR A 39 5.836 -7.847 5.015 1.00 41.24 H new ATOM 0 HH TYR A 39 5.226 -7.846 2.229 1.00 50.55 H new ATOM 640 N SER A 40 2.909 -5.228 7.933 1.00 35.45 N ATOM 641 CA SER A 40 2.557 -6.358 8.783 1.00 75.43 C ATOM 642 C SER A 40 2.525 -7.651 7.968 1.00 11.22 C ATOM 643 O SER A 40 2.259 -7.624 6.763 1.00 54.04 O ATOM 644 CB SER A 40 1.194 -6.100 9.432 1.00 60.20 C ATOM 645 OG SER A 40 1.191 -4.864 10.131 1.00 2.22 O ATOM 0 H SER A 40 2.387 -5.186 7.058 1.00 35.45 H new ATOM 0 HA SER A 40 3.311 -6.469 9.563 1.00 75.43 H new ATOM 0 HB2 SER A 40 0.418 -6.091 8.666 1.00 60.20 H new ATOM 0 HB3 SER A 40 0.955 -6.912 10.119 1.00 60.20 H new ATOM 0 HG SER A 40 0.310 -4.719 10.536 1.00 2.22 H new ATOM 651 N ASP A 41 2.784 -8.774 8.637 1.00 42.11 N ATOM 652 CA ASP A 41 2.837 -10.090 7.989 1.00 42.34 C ATOM 653 C ASP A 41 1.525 -10.406 7.269 1.00 24.32 C ATOM 654 O ASP A 41 1.531 -10.930 6.153 1.00 52.03 O ATOM 655 CB ASP A 41 3.132 -11.182 9.034 1.00 65.24 C ATOM 656 CG ASP A 41 2.005 -11.341 10.043 1.00 55.54 C ATOM 657 OD1 ASP A 41 1.753 -10.390 10.813 1.00 15.44 O ATOM 658 OD2 ASP A 41 1.345 -12.400 10.055 1.00 43.23 O ATOM 0 H ASP A 41 2.963 -8.801 9.641 1.00 42.11 H new ATOM 0 HA ASP A 41 3.637 -10.068 7.249 1.00 42.34 H new ATOM 0 HB2 ASP A 41 3.297 -12.132 8.526 1.00 65.24 H new ATOM 0 HB3 ASP A 41 4.055 -10.937 9.560 1.00 65.24 H new ATOM 663 N ILE A 42 0.408 -10.068 7.914 1.00 41.24 N ATOM 664 CA ILE A 42 -0.928 -10.345 7.374 1.00 21.04 C ATOM 665 C ILE A 42 -1.127 -9.685 6.005 1.00 64.42 C ATOM 666 O ILE A 42 -1.877 -10.182 5.163 1.00 32.01 O ATOM 667 CB ILE A 42 -2.035 -9.856 8.352 1.00 55.23 C ATOM 668 CG1 ILE A 42 -3.446 -10.181 7.817 1.00 0.31 C ATOM 669 CG2 ILE A 42 -1.893 -8.359 8.626 1.00 74.15 C ATOM 670 CD1 ILE A 42 -3.730 -11.663 7.682 1.00 54.31 C ATOM 0 H ILE A 42 0.401 -9.598 8.819 1.00 41.24 H new ATOM 0 HA ILE A 42 -1.008 -11.425 7.254 1.00 21.04 H new ATOM 0 HB ILE A 42 -1.905 -10.393 9.292 1.00 55.23 H new ATOM 0 HG12 ILE A 42 -4.186 -9.739 8.484 1.00 0.31 H new ATOM 0 HG13 ILE A 42 -3.572 -9.708 6.843 1.00 0.31 H new ATOM 0 HG21 ILE A 42 -2.677 -8.039 9.312 1.00 74.15 H new ATOM 0 HG22 ILE A 42 -0.918 -8.162 9.072 1.00 74.15 H new ATOM 0 HG23 ILE A 42 -1.982 -7.808 7.690 1.00 74.15 H new ATOM 0 HD11 ILE A 42 -4.741 -11.806 7.300 1.00 54.31 H new ATOM 0 HD12 ILE A 42 -3.015 -12.109 6.991 1.00 54.31 H new ATOM 0 HD13 ILE A 42 -3.639 -12.141 8.657 1.00 54.31 H new ATOM 682 N LEU A 43 -0.432 -8.577 5.781 1.00 24.43 N ATOM 683 CA LEU A 43 -0.613 -7.780 4.571 1.00 3.42 C ATOM 684 C LEU A 43 0.006 -8.459 3.344 1.00 13.52 C ATOM 685 O LEU A 43 -0.430 -8.232 2.215 1.00 40.35 O ATOM 686 CB LEU A 43 -0.007 -6.388 4.774 1.00 32.02 C ATOM 687 CG LEU A 43 -0.659 -5.546 5.885 1.00 44.41 C ATOM 688 CD1 LEU A 43 0.043 -4.200 6.023 1.00 13.01 C ATOM 689 CD2 LEU A 43 -2.150 -5.351 5.612 1.00 30.22 C ATOM 0 H LEU A 43 0.267 -8.207 6.425 1.00 24.43 H new ATOM 0 HA LEU A 43 -1.683 -7.687 4.385 1.00 3.42 H new ATOM 0 HB2 LEU A 43 1.053 -6.500 5.000 1.00 32.02 H new ATOM 0 HB3 LEU A 43 -0.076 -5.838 3.835 1.00 32.02 H new ATOM 0 HG LEU A 43 -0.553 -6.085 6.827 1.00 44.41 H new ATOM 0 HD11 LEU A 43 -0.434 -3.620 6.814 1.00 13.01 H new ATOM 0 HD12 LEU A 43 1.092 -4.361 6.273 1.00 13.01 H new ATOM 0 HD13 LEU A 43 -0.027 -3.655 5.082 1.00 13.01 H new ATOM 0 HD21 LEU A 43 -2.591 -4.753 6.410 1.00 30.22 H new ATOM 0 HD22 LEU A 43 -2.281 -4.838 4.659 1.00 30.22 H new ATOM 0 HD23 LEU A 43 -2.643 -6.322 5.572 1.00 30.22 H new ATOM 701 N ASN A 44 0.994 -9.314 3.577 1.00 41.41 N ATOM 702 CA ASN A 44 1.772 -9.923 2.492 1.00 44.15 C ATOM 703 C ASN A 44 0.895 -10.739 1.528 1.00 74.54 C ATOM 704 O ASN A 44 1.223 -10.872 0.349 1.00 44.51 O ATOM 705 CB ASN A 44 2.873 -10.815 3.083 1.00 14.31 C ATOM 706 CG ASN A 44 3.747 -11.470 2.022 1.00 30.13 C ATOM 707 OD1 ASN A 44 3.467 -12.582 1.567 1.00 61.13 O ATOM 708 ND2 ASN A 44 4.816 -10.793 1.630 1.00 41.11 N ATOM 0 H ASN A 44 1.281 -9.606 4.511 1.00 41.41 H new ATOM 0 HA ASN A 44 2.218 -9.113 1.914 1.00 44.15 H new ATOM 0 HB2 ASN A 44 3.501 -10.217 3.743 1.00 14.31 H new ATOM 0 HB3 ASN A 44 2.414 -11.591 3.696 1.00 14.31 H new ATOM 0 HD21 ASN A 44 5.441 -11.189 0.928 1.00 41.11 H new ATOM 0 HD22 ASN A 44 5.014 -9.876 2.030 1.00 41.11 H new ATOM 715 N LYS A 45 -0.227 -11.256 2.027 1.00 34.44 N ATOM 716 CA LYS A 45 -1.062 -12.191 1.260 1.00 12.31 C ATOM 717 C LYS A 45 -1.963 -11.487 0.236 1.00 33.11 C ATOM 718 O LYS A 45 -2.426 -12.118 -0.713 1.00 31.24 O ATOM 719 CB LYS A 45 -1.942 -13.023 2.208 1.00 61.32 C ATOM 720 CG LYS A 45 -2.919 -12.185 3.030 1.00 20.13 C ATOM 721 CD LYS A 45 -3.931 -13.033 3.805 1.00 10.43 C ATOM 722 CE LYS A 45 -3.271 -13.973 4.814 1.00 42.42 C ATOM 723 NZ LYS A 45 -2.757 -15.223 4.188 1.00 54.13 N ATOM 0 H LYS A 45 -0.582 -11.045 2.960 1.00 34.44 H new ATOM 0 HA LYS A 45 -0.375 -12.835 0.712 1.00 12.31 H new ATOM 0 HB2 LYS A 45 -2.504 -13.751 1.623 1.00 61.32 H new ATOM 0 HB3 LYS A 45 -1.300 -13.586 2.886 1.00 61.32 H new ATOM 0 HG2 LYS A 45 -2.358 -11.568 3.732 1.00 20.13 H new ATOM 0 HG3 LYS A 45 -3.455 -11.507 2.366 1.00 20.13 H new ATOM 0 HD2 LYS A 45 -4.624 -12.374 4.329 1.00 10.43 H new ATOM 0 HD3 LYS A 45 -4.520 -13.620 3.101 1.00 10.43 H new ATOM 0 HE2 LYS A 45 -2.448 -13.453 5.304 1.00 42.42 H new ATOM 0 HE3 LYS A 45 -3.992 -14.231 5.590 1.00 42.42 H new ATOM 0 HZ1 LYS A 45 -3.109 -16.046 4.717 1.00 54.13 H new ATOM 0 HZ2 LYS A 45 -3.085 -15.278 3.203 1.00 54.13 H new ATOM 0 HZ3 LYS A 45 -1.717 -15.218 4.207 1.00 54.13 H new ATOM 737 N TYR A 46 -2.210 -10.190 0.428 1.00 53.15 N ATOM 738 CA TYR A 46 -3.220 -9.471 -0.364 1.00 1.50 C ATOM 739 C TYR A 46 -2.783 -9.228 -1.812 1.00 51.23 C ATOM 740 O TYR A 46 -3.626 -9.066 -2.695 1.00 1.31 O ATOM 741 CB TYR A 46 -3.556 -8.127 0.295 1.00 62.12 C ATOM 742 CG TYR A 46 -4.261 -8.245 1.636 1.00 55.51 C ATOM 743 CD1 TYR A 46 -5.636 -8.450 1.712 1.00 31.32 C ATOM 744 CD2 TYR A 46 -3.556 -8.126 2.827 1.00 70.14 C ATOM 745 CE1 TYR A 46 -6.281 -8.530 2.935 1.00 41.25 C ATOM 746 CE2 TYR A 46 -4.192 -8.212 4.050 1.00 63.13 C ATOM 747 CZ TYR A 46 -5.552 -8.411 4.101 1.00 43.40 C ATOM 748 OH TYR A 46 -6.186 -8.474 5.323 1.00 32.31 O ATOM 0 H TYR A 46 -1.730 -9.615 1.120 1.00 53.15 H new ATOM 0 HA TYR A 46 -4.102 -10.111 -0.391 1.00 1.50 H new ATOM 0 HB2 TYR A 46 -2.634 -7.562 0.431 1.00 62.12 H new ATOM 0 HB3 TYR A 46 -4.185 -7.551 -0.383 1.00 62.12 H new ATOM 0 HD1 TYR A 46 -6.209 -8.548 0.802 1.00 31.32 H new ATOM 0 HD2 TYR A 46 -2.489 -7.963 2.796 1.00 70.14 H new ATOM 0 HE1 TYR A 46 -7.349 -8.685 2.976 1.00 41.25 H new ATOM 0 HE2 TYR A 46 -3.623 -8.123 4.964 1.00 63.13 H new ATOM 0 HH TYR A 46 -5.525 -8.373 6.040 1.00 32.31 H new ATOM 758 N ASP A 47 -1.468 -9.181 -2.039 1.00 32.25 N ATOM 759 CA ASP A 47 -0.895 -8.845 -3.357 1.00 50.13 C ATOM 760 C ASP A 47 -1.132 -7.375 -3.718 1.00 74.33 C ATOM 761 O ASP A 47 -0.701 -6.912 -4.780 1.00 52.22 O ATOM 762 CB ASP A 47 -1.451 -9.751 -4.477 1.00 51.33 C ATOM 763 CG ASP A 47 -0.740 -11.090 -4.572 1.00 63.32 C ATOM 764 OD1 ASP A 47 0.337 -11.148 -5.200 1.00 73.04 O ATOM 765 OD2 ASP A 47 -1.250 -12.091 -4.028 1.00 55.15 O ATOM 0 H ASP A 47 -0.768 -9.373 -1.322 1.00 32.25 H new ATOM 0 HA ASP A 47 0.178 -9.017 -3.276 1.00 50.13 H new ATOM 0 HB2 ASP A 47 -2.513 -9.923 -4.303 1.00 51.33 H new ATOM 0 HB3 ASP A 47 -1.364 -9.232 -5.432 1.00 51.33 H new ATOM 770 N TYR A 48 -1.789 -6.645 -2.821 1.00 31.41 N ATOM 771 CA TYR A 48 -2.066 -5.223 -3.006 1.00 31.11 C ATOM 772 C TYR A 48 -2.035 -4.511 -1.658 1.00 14.31 C ATOM 773 O TYR A 48 -2.863 -4.780 -0.784 1.00 64.14 O ATOM 774 CB TYR A 48 -3.434 -5.003 -3.673 1.00 72.33 C ATOM 775 CG TYR A 48 -3.447 -5.246 -5.171 1.00 35.33 C ATOM 776 CD1 TYR A 48 -2.773 -4.386 -6.033 1.00 14.31 C ATOM 777 CD2 TYR A 48 -4.141 -6.318 -5.728 1.00 62.34 C ATOM 778 CE1 TYR A 48 -2.788 -4.587 -7.399 1.00 42.42 C ATOM 779 CE2 TYR A 48 -4.158 -6.524 -7.095 1.00 1.23 C ATOM 780 CZ TYR A 48 -3.479 -5.656 -7.926 1.00 61.11 C ATOM 781 OH TYR A 48 -3.490 -5.852 -9.291 1.00 24.32 O ATOM 0 H TYR A 48 -2.145 -7.023 -1.943 1.00 31.41 H new ATOM 0 HA TYR A 48 -1.297 -4.811 -3.659 1.00 31.11 H new ATOM 0 HB2 TYR A 48 -4.164 -5.663 -3.204 1.00 72.33 H new ATOM 0 HB3 TYR A 48 -3.758 -3.980 -3.480 1.00 72.33 H new ATOM 0 HD1 TYR A 48 -2.229 -3.547 -5.626 1.00 14.31 H new ATOM 0 HD2 TYR A 48 -4.674 -6.999 -5.081 1.00 62.34 H new ATOM 0 HE1 TYR A 48 -2.260 -3.908 -8.052 1.00 42.42 H new ATOM 0 HE2 TYR A 48 -4.700 -7.360 -7.511 1.00 1.23 H new ATOM 0 HH TYR A 48 -4.204 -5.315 -9.693 1.00 24.32 H new ATOM 791 N ILE A 49 -1.074 -3.606 -1.495 1.00 43.44 N ATOM 792 CA ILE A 49 -0.921 -2.850 -0.255 1.00 2.14 C ATOM 793 C ILE A 49 -1.090 -1.367 -0.530 1.00 51.44 C ATOM 794 O ILE A 49 -0.294 -0.769 -1.256 1.00 22.23 O ATOM 795 CB ILE A 49 0.465 -3.084 0.403 1.00 71.33 C ATOM 796 CG1 ILE A 49 0.735 -4.588 0.574 1.00 35.14 C ATOM 797 CG2 ILE A 49 0.547 -2.366 1.752 1.00 64.14 C ATOM 798 CD1 ILE A 49 -0.315 -5.305 1.390 1.00 43.23 C ATOM 0 H ILE A 49 -0.385 -3.377 -2.211 1.00 43.44 H new ATOM 0 HA ILE A 49 -1.690 -3.201 0.434 1.00 2.14 H new ATOM 0 HB ILE A 49 1.231 -2.671 -0.253 1.00 71.33 H new ATOM 0 HG12 ILE A 49 0.796 -5.051 -0.411 1.00 35.14 H new ATOM 0 HG13 ILE A 49 1.706 -4.722 1.050 1.00 35.14 H new ATOM 0 HG21 ILE A 49 1.526 -2.541 2.199 1.00 64.14 H new ATOM 0 HG22 ILE A 49 0.402 -1.296 1.604 1.00 64.14 H new ATOM 0 HG23 ILE A 49 -0.228 -2.749 2.416 1.00 64.14 H new ATOM 0 HD11 ILE A 49 -0.057 -6.361 1.467 1.00 43.23 H new ATOM 0 HD12 ILE A 49 -0.361 -4.869 2.388 1.00 43.23 H new ATOM 0 HD13 ILE A 49 -1.285 -5.203 0.904 1.00 43.23 H new ATOM 810 N VAL A 50 -2.133 -0.782 0.034 1.00 3.34 N ATOM 811 CA VAL A 50 -2.403 0.636 -0.133 1.00 33.54 C ATOM 812 C VAL A 50 -2.226 1.358 1.191 1.00 43.44 C ATOM 813 O VAL A 50 -2.825 0.977 2.196 1.00 71.05 O ATOM 814 CB VAL A 50 -3.835 0.882 -0.667 1.00 74.12 C ATOM 815 CG1 VAL A 50 -4.112 2.377 -0.827 1.00 1.32 C ATOM 816 CG2 VAL A 50 -4.044 0.139 -1.984 1.00 3.44 C ATOM 0 H VAL A 50 -2.812 -1.272 0.616 1.00 3.34 H new ATOM 0 HA VAL A 50 -1.694 1.025 -0.864 1.00 33.54 H new ATOM 0 HB VAL A 50 -4.546 0.493 0.062 1.00 74.12 H new ATOM 0 HG11 VAL A 50 -5.125 2.521 -1.204 1.00 1.32 H new ATOM 0 HG12 VAL A 50 -4.010 2.871 0.139 1.00 1.32 H new ATOM 0 HG13 VAL A 50 -3.399 2.806 -1.531 1.00 1.32 H new ATOM 0 HG21 VAL A 50 -5.055 0.321 -2.348 1.00 3.44 H new ATOM 0 HG22 VAL A 50 -3.324 0.495 -2.721 1.00 3.44 H new ATOM 0 HG23 VAL A 50 -3.903 -0.930 -1.825 1.00 3.44 H new ATOM 826 N GLY A 51 -1.383 2.381 1.191 1.00 11.31 N ATOM 827 CA GLY A 51 -1.201 3.190 2.376 1.00 34.34 C ATOM 828 C GLY A 51 -1.962 4.493 2.263 1.00 30.34 C ATOM 829 O GLY A 51 -1.718 5.274 1.341 1.00 13.53 O ATOM 0 H GLY A 51 -0.821 2.665 0.388 1.00 11.31 H new ATOM 0 HA2 GLY A 51 -1.543 2.640 3.253 1.00 34.34 H new ATOM 0 HA3 GLY A 51 -0.140 3.395 2.522 1.00 34.34 H new ATOM 833 N ASP A 52 -2.885 4.724 3.187 1.00 0.33 N ATOM 834 CA ASP A 52 -3.695 5.938 3.185 1.00 2.42 C ATOM 835 C ASP A 52 -3.323 6.817 4.369 1.00 60.22 C ATOM 836 O ASP A 52 -2.847 6.325 5.391 1.00 64.14 O ATOM 837 CB ASP A 52 -5.197 5.601 3.224 1.00 22.03 C ATOM 838 CG ASP A 52 -5.660 5.035 4.565 1.00 64.52 C ATOM 839 OD1 ASP A 52 -5.553 3.807 4.769 1.00 31.21 O ATOM 840 OD2 ASP A 52 -6.150 5.817 5.408 1.00 65.21 O ATOM 0 H ASP A 52 -3.093 4.083 3.953 1.00 0.33 H new ATOM 0 HA ASP A 52 -3.493 6.480 2.261 1.00 2.42 H new ATOM 0 HB2 ASP A 52 -5.769 6.502 3.002 1.00 22.03 H new ATOM 0 HB3 ASP A 52 -5.420 4.880 2.438 1.00 22.03 H new ATOM 845 N TRP A 53 -3.511 8.120 4.211 1.00 3.12 N ATOM 846 CA TRP A 53 -3.285 9.074 5.292 1.00 61.32 C ATOM 847 C TRP A 53 -4.624 9.543 5.859 1.00 75.12 C ATOM 848 O TRP A 53 -4.795 10.719 6.201 1.00 3.44 O ATOM 849 CB TRP A 53 -2.451 10.261 4.783 1.00 72.34 C ATOM 850 CG TRP A 53 -1.028 9.893 4.463 1.00 23.23 C ATOM 851 CD1 TRP A 53 -0.550 9.379 3.292 1.00 3.04 C ATOM 852 CD2 TRP A 53 0.103 10.010 5.337 1.00 31.03 C ATOM 853 NE1 TRP A 53 0.804 9.167 3.385 1.00 23.32 N ATOM 854 CE2 TRP A 53 1.228 9.543 4.632 1.00 51.11 C ATOM 855 CE3 TRP A 53 0.269 10.461 6.651 1.00 3.13 C ATOM 856 CZ2 TRP A 53 2.502 9.517 5.197 1.00 23.34 C ATOM 857 CZ3 TRP A 53 1.534 10.436 7.208 1.00 42.20 C ATOM 858 CH2 TRP A 53 2.636 9.965 6.481 1.00 51.44 C ATOM 0 H TRP A 53 -3.822 8.545 3.337 1.00 3.12 H new ATOM 0 HA TRP A 53 -2.727 8.588 6.092 1.00 61.32 H new ATOM 0 HB2 TRP A 53 -2.923 10.671 3.890 1.00 72.34 H new ATOM 0 HB3 TRP A 53 -2.455 11.049 5.536 1.00 72.34 H new ATOM 0 HD1 TRP A 53 -1.150 9.169 2.419 1.00 3.04 H new ATOM 0 HE1 TRP A 53 1.397 8.791 2.646 1.00 23.32 H new ATOM 0 HE3 TRP A 53 -0.575 10.822 7.220 1.00 3.13 H new ATOM 0 HZ2 TRP A 53 3.353 9.155 4.639 1.00 23.34 H new ATOM 0 HZ3 TRP A 53 1.676 10.785 8.220 1.00 42.20 H new ATOM 0 HH2 TRP A 53 3.611 9.956 6.945 1.00 51.44 H new ATOM 869 N GLY A 54 -5.565 8.605 5.963 1.00 3.01 N ATOM 870 CA GLY A 54 -6.888 8.904 6.472 1.00 3.22 C ATOM 871 C GLY A 54 -6.839 9.487 7.870 1.00 62.15 C ATOM 872 O GLY A 54 -6.176 8.945 8.755 1.00 74.04 O ATOM 0 H GLY A 54 -5.427 7.630 5.698 1.00 3.01 H new ATOM 0 HA2 GLY A 54 -7.384 9.607 5.803 1.00 3.22 H new ATOM 0 HA3 GLY A 54 -7.488 7.994 6.479 1.00 3.22 H new ATOM 876 N TYR A 55 -7.511 10.620 8.053 1.00 14.22 N ATOM 877 CA TYR A 55 -7.568 11.315 9.341 1.00 52.10 C ATOM 878 C TYR A 55 -6.195 11.888 9.722 1.00 42.40 C ATOM 879 O TYR A 55 -6.042 12.502 10.776 1.00 54.25 O ATOM 880 CB TYR A 55 -8.104 10.371 10.438 1.00 30.11 C ATOM 881 CG TYR A 55 -8.477 11.068 11.742 1.00 53.35 C ATOM 882 CD1 TYR A 55 -9.648 11.813 11.838 1.00 53.33 C ATOM 883 CD2 TYR A 55 -7.663 10.980 12.867 1.00 33.23 C ATOM 884 CE1 TYR A 55 -9.996 12.450 13.016 1.00 53.11 C ATOM 885 CE2 TYR A 55 -8.004 11.613 14.047 1.00 15.31 C ATOM 886 CZ TYR A 55 -9.171 12.346 14.118 1.00 11.25 C ATOM 887 OH TYR A 55 -9.519 12.976 15.294 1.00 2.21 O ATOM 0 H TYR A 55 -8.034 11.086 7.311 1.00 14.22 H new ATOM 0 HA TYR A 55 -8.257 12.154 9.247 1.00 52.10 H new ATOM 0 HB2 TYR A 55 -8.981 9.850 10.055 1.00 30.11 H new ATOM 0 HB3 TYR A 55 -7.350 9.613 10.648 1.00 30.11 H new ATOM 0 HD1 TYR A 55 -10.297 11.896 10.978 1.00 53.33 H new ATOM 0 HD2 TYR A 55 -6.749 10.407 12.817 1.00 33.23 H new ATOM 0 HE1 TYR A 55 -10.908 13.025 13.073 1.00 53.11 H new ATOM 0 HE2 TYR A 55 -7.360 11.534 14.910 1.00 15.31 H new ATOM 0 HH TYR A 55 -8.834 12.804 15.973 1.00 2.21 H new ATOM 897 N GLY A 56 -5.205 11.709 8.846 1.00 62.42 N ATOM 898 CA GLY A 56 -3.874 12.238 9.095 1.00 62.40 C ATOM 899 C GLY A 56 -2.883 11.167 9.511 1.00 25.35 C ATOM 900 O GLY A 56 -1.686 11.435 9.624 1.00 52.03 O ATOM 0 H GLY A 56 -5.304 11.204 7.965 1.00 62.42 H new ATOM 0 HA2 GLY A 56 -3.510 12.733 8.194 1.00 62.40 H new ATOM 0 HA3 GLY A 56 -3.930 12.997 9.875 1.00 62.40 H new ATOM 904 N GLN A 57 -3.375 9.953 9.732 1.00 71.52 N ATOM 905 CA GLN A 57 -2.526 8.842 10.160 1.00 53.50 C ATOM 906 C GLN A 57 -2.279 7.886 8.996 1.00 35.22 C ATOM 907 O GLN A 57 -3.205 7.527 8.274 1.00 13.13 O ATOM 908 CB GLN A 57 -3.171 8.097 11.341 1.00 11.13 C ATOM 909 CG GLN A 57 -4.546 7.511 11.033 1.00 31.24 C ATOM 910 CD GLN A 57 -5.184 6.829 12.230 1.00 25.44 C ATOM 911 OE1 GLN A 57 -4.959 7.214 13.379 1.00 14.54 O ATOM 912 NE2 GLN A 57 -5.988 5.812 11.967 1.00 11.21 N ATOM 0 H GLN A 57 -4.360 9.711 9.622 1.00 71.52 H new ATOM 0 HA GLN A 57 -1.567 9.243 10.489 1.00 53.50 H new ATOM 0 HB2 GLN A 57 -2.507 7.292 11.655 1.00 11.13 H new ATOM 0 HB3 GLN A 57 -3.261 8.783 12.184 1.00 11.13 H new ATOM 0 HG2 GLN A 57 -5.203 8.307 10.683 1.00 31.24 H new ATOM 0 HG3 GLN A 57 -4.454 6.792 10.219 1.00 31.24 H new ATOM 0 HE21 GLN A 57 -6.148 5.525 11.001 1.00 11.21 H new ATOM 0 HE22 GLN A 57 -6.448 5.315 12.730 1.00 11.21 H new ATOM 921 N LEU A 58 -1.025 7.482 8.816 1.00 62.12 N ATOM 922 CA LEU A 58 -0.663 6.576 7.732 1.00 33.51 C ATOM 923 C LEU A 58 -1.016 5.138 8.113 1.00 42.51 C ATOM 924 O LEU A 58 -0.520 4.611 9.113 1.00 32.44 O ATOM 925 CB LEU A 58 0.839 6.717 7.405 1.00 11.54 C ATOM 926 CG LEU A 58 1.372 5.927 6.184 1.00 21.23 C ATOM 927 CD1 LEU A 58 1.617 4.459 6.528 1.00 3.21 C ATOM 928 CD2 LEU A 58 0.414 6.045 5.001 1.00 64.54 C ATOM 0 H LEU A 58 -0.244 7.768 9.406 1.00 62.12 H new ATOM 0 HA LEU A 58 -1.229 6.837 6.838 1.00 33.51 H new ATOM 0 HB2 LEU A 58 1.052 7.774 7.244 1.00 11.54 H new ATOM 0 HB3 LEU A 58 1.407 6.407 8.282 1.00 11.54 H new ATOM 0 HG LEU A 58 2.328 6.368 5.903 1.00 21.23 H new ATOM 0 HD11 LEU A 58 1.990 3.936 5.647 1.00 3.21 H new ATOM 0 HD12 LEU A 58 2.353 4.391 7.329 1.00 3.21 H new ATOM 0 HD13 LEU A 58 0.683 4.001 6.853 1.00 3.21 H new ATOM 0 HD21 LEU A 58 0.809 5.482 4.155 1.00 64.54 H new ATOM 0 HD22 LEU A 58 -0.560 5.644 5.280 1.00 64.54 H new ATOM 0 HD23 LEU A 58 0.308 7.093 4.722 1.00 64.54 H new ATOM 940 N ARG A 59 -1.878 4.519 7.315 1.00 22.21 N ATOM 941 CA ARG A 59 -2.306 3.141 7.530 1.00 61.23 C ATOM 942 C ARG A 59 -2.088 2.310 6.270 1.00 30.30 C ATOM 943 O ARG A 59 -2.261 2.804 5.158 1.00 31.45 O ATOM 944 CB ARG A 59 -3.794 3.106 7.923 1.00 34.41 C ATOM 945 CG ARG A 59 -4.425 1.719 7.827 1.00 5.31 C ATOM 946 CD ARG A 59 -5.894 1.728 8.229 1.00 44.53 C ATOM 947 NE ARG A 59 -6.073 1.969 9.663 1.00 20.24 N ATOM 948 CZ ARG A 59 -7.101 1.512 10.376 1.00 34.13 C ATOM 949 NH1 ARG A 59 -8.049 0.787 9.790 1.00 44.24 N ATOM 950 NH2 ARG A 59 -7.179 1.779 11.672 1.00 55.41 N ATOM 0 H ARG A 59 -2.301 4.959 6.498 1.00 22.21 H new ATOM 0 HA ARG A 59 -1.710 2.717 8.338 1.00 61.23 H new ATOM 0 HB2 ARG A 59 -3.899 3.473 8.944 1.00 34.41 H new ATOM 0 HB3 ARG A 59 -4.346 3.791 7.280 1.00 34.41 H new ATOM 0 HG2 ARG A 59 -4.331 1.349 6.806 1.00 5.31 H new ATOM 0 HG3 ARG A 59 -3.878 1.028 8.468 1.00 5.31 H new ATOM 0 HD2 ARG A 59 -6.419 2.499 7.664 1.00 44.53 H new ATOM 0 HD3 ARG A 59 -6.348 0.773 7.963 1.00 44.53 H new ATOM 0 HE ARG A 59 -5.365 2.522 10.146 1.00 20.24 H new ATOM 0 HH11 ARG A 59 -7.990 0.580 8.793 1.00 44.24 H new ATOM 0 HH12 ARG A 59 -8.836 0.438 10.337 1.00 44.24 H new ATOM 0 HH21 ARG A 59 -6.452 2.334 12.123 1.00 55.41 H new ATOM 0 HH22 ARG A 59 -7.966 1.429 12.218 1.00 55.41 H new ATOM 964 N LEU A 60 -1.683 1.054 6.450 1.00 41.12 N ATOM 965 CA LEU A 60 -1.589 0.104 5.346 1.00 33.51 C ATOM 966 C LEU A 60 -2.813 -0.804 5.351 1.00 32.43 C ATOM 967 O LEU A 60 -2.992 -1.615 6.265 1.00 41.31 O ATOM 968 CB LEU A 60 -0.311 -0.748 5.443 1.00 52.43 C ATOM 969 CG LEU A 60 0.994 -0.061 5.002 1.00 50.24 C ATOM 970 CD1 LEU A 60 1.292 1.164 5.856 1.00 72.12 C ATOM 971 CD2 LEU A 60 2.160 -1.048 5.045 1.00 1.51 C ATOM 0 H LEU A 60 -1.414 0.670 7.356 1.00 41.12 H new ATOM 0 HA LEU A 60 -1.547 0.668 4.414 1.00 33.51 H new ATOM 0 HB2 LEU A 60 -0.194 -1.076 6.476 1.00 52.43 H new ATOM 0 HB3 LEU A 60 -0.449 -1.644 4.838 1.00 52.43 H new ATOM 0 HG LEU A 60 0.864 0.277 3.974 1.00 50.24 H new ATOM 0 HD11 LEU A 60 2.220 1.626 5.519 1.00 72.12 H new ATOM 0 HD12 LEU A 60 0.475 1.880 5.763 1.00 72.12 H new ATOM 0 HD13 LEU A 60 1.394 0.864 6.899 1.00 72.12 H new ATOM 0 HD21 LEU A 60 3.074 -0.545 4.730 1.00 1.51 H new ATOM 0 HD22 LEU A 60 2.283 -1.422 6.062 1.00 1.51 H new ATOM 0 HD23 LEU A 60 1.955 -1.882 4.374 1.00 1.51 H new ATOM 983 N LYS A 61 -3.653 -0.658 4.340 1.00 11.33 N ATOM 984 CA LYS A 61 -4.863 -1.456 4.223 1.00 53.30 C ATOM 985 C LYS A 61 -4.671 -2.478 3.109 1.00 24.51 C ATOM 986 O LYS A 61 -4.252 -2.130 2.002 1.00 63.33 O ATOM 987 CB LYS A 61 -6.072 -0.537 3.939 1.00 41.20 C ATOM 988 CG LYS A 61 -7.437 -1.135 4.300 1.00 31.33 C ATOM 989 CD LYS A 61 -7.837 -2.293 3.389 1.00 2.20 C ATOM 990 CE LYS A 61 -9.171 -2.899 3.799 1.00 25.11 C ATOM 991 NZ LYS A 61 -9.551 -4.051 2.938 1.00 10.25 N ATOM 0 H LYS A 61 -3.518 0.011 3.582 1.00 11.33 H new ATOM 0 HA LYS A 61 -5.059 -1.985 5.156 1.00 53.30 H new ATOM 0 HB2 LYS A 61 -5.941 0.393 4.493 1.00 41.20 H new ATOM 0 HB3 LYS A 61 -6.073 -0.280 2.880 1.00 41.20 H new ATOM 0 HG2 LYS A 61 -7.414 -1.483 5.333 1.00 31.33 H new ATOM 0 HG3 LYS A 61 -8.196 -0.355 4.243 1.00 31.33 H new ATOM 0 HD2 LYS A 61 -7.899 -1.941 2.359 1.00 2.20 H new ATOM 0 HD3 LYS A 61 -7.065 -3.061 3.417 1.00 2.20 H new ATOM 0 HE2 LYS A 61 -9.116 -3.226 4.837 1.00 25.11 H new ATOM 0 HE3 LYS A 61 -9.947 -2.136 3.746 1.00 25.11 H new ATOM 0 HZ1 LYS A 61 -10.123 -4.723 3.489 1.00 10.25 H new ATOM 0 HZ2 LYS A 61 -10.104 -3.710 2.126 1.00 10.25 H new ATOM 0 HZ3 LYS A 61 -8.692 -4.527 2.596 1.00 10.25 H new ATOM 1005 N GLY A 62 -4.962 -3.739 3.406 1.00 12.10 N ATOM 1006 CA GLY A 62 -4.816 -4.787 2.419 1.00 13.14 C ATOM 1007 C GLY A 62 -6.053 -4.930 1.556 1.00 31.04 C ATOM 1008 O GLY A 62 -7.167 -5.045 2.073 1.00 50.05 O ATOM 0 H GLY A 62 -5.297 -4.053 4.317 1.00 12.10 H new ATOM 0 HA2 GLY A 62 -3.955 -4.571 1.786 1.00 13.14 H new ATOM 0 HA3 GLY A 62 -4.613 -5.733 2.922 1.00 13.14 H new ATOM 1012 N PHE A 63 -5.865 -4.906 0.242 1.00 63.32 N ATOM 1013 CA PHE A 63 -6.970 -5.030 -0.701 1.00 72.42 C ATOM 1014 C PHE A 63 -6.794 -6.270 -1.566 1.00 52.54 C ATOM 1015 O PHE A 63 -5.696 -6.822 -1.661 1.00 70.40 O ATOM 1016 CB PHE A 63 -7.069 -3.783 -1.590 1.00 5.21 C ATOM 1017 CG PHE A 63 -7.488 -2.535 -0.851 1.00 51.33 C ATOM 1018 CD1 PHE A 63 -8.832 -2.245 -0.658 1.00 21.12 C ATOM 1019 CD2 PHE A 63 -6.544 -1.647 -0.359 1.00 42.35 C ATOM 1020 CE1 PHE A 63 -9.224 -1.100 0.008 1.00 2.55 C ATOM 1021 CE2 PHE A 63 -6.933 -0.502 0.310 1.00 54.31 C ATOM 1022 CZ PHE A 63 -8.273 -0.228 0.493 1.00 64.30 C ATOM 0 H PHE A 63 -4.950 -4.801 -0.197 1.00 63.32 H new ATOM 0 HA PHE A 63 -7.893 -5.125 -0.129 1.00 72.42 H new ATOM 0 HB2 PHE A 63 -6.102 -3.607 -2.061 1.00 5.21 H new ATOM 0 HB3 PHE A 63 -7.783 -3.976 -2.391 1.00 5.21 H new ATOM 0 HD1 PHE A 63 -9.582 -2.925 -1.034 1.00 21.12 H new ATOM 0 HD2 PHE A 63 -5.493 -1.852 -0.500 1.00 42.35 H new ATOM 0 HE1 PHE A 63 -10.274 -0.888 0.148 1.00 2.55 H new ATOM 0 HE2 PHE A 63 -6.187 0.180 0.690 1.00 54.31 H new ATOM 0 HZ PHE A 63 -8.576 0.668 1.015 1.00 64.30 H new ATOM 1032 N PHE A 64 -7.879 -6.704 -2.189 1.00 21.12 N ATOM 1033 CA PHE A 64 -7.845 -7.845 -3.093 1.00 21.43 C ATOM 1034 C PHE A 64 -7.924 -7.363 -4.537 1.00 24.31 C ATOM 1035 O PHE A 64 -8.187 -6.187 -4.799 1.00 11.00 O ATOM 1036 CB PHE A 64 -8.997 -8.810 -2.787 1.00 3.53 C ATOM 1037 CG PHE A 64 -8.904 -9.452 -1.424 1.00 53.22 C ATOM 1038 CD1 PHE A 64 -8.116 -10.578 -1.224 1.00 74.32 C ATOM 1039 CD2 PHE A 64 -9.603 -8.930 -0.342 1.00 63.33 C ATOM 1040 CE1 PHE A 64 -8.028 -11.171 0.022 1.00 31.33 C ATOM 1041 CE2 PHE A 64 -9.518 -9.519 0.907 1.00 51.55 C ATOM 1042 CZ PHE A 64 -8.731 -10.641 1.089 1.00 70.20 C ATOM 0 H PHE A 64 -8.801 -6.280 -2.084 1.00 21.12 H new ATOM 0 HA PHE A 64 -6.906 -8.380 -2.949 1.00 21.43 H new ATOM 0 HB2 PHE A 64 -9.941 -8.270 -2.861 1.00 3.53 H new ATOM 0 HB3 PHE A 64 -9.016 -9.592 -3.547 1.00 3.53 H new ATOM 0 HD1 PHE A 64 -7.564 -10.996 -2.053 1.00 74.32 H new ATOM 0 HD2 PHE A 64 -10.220 -8.054 -0.478 1.00 63.33 H new ATOM 0 HE1 PHE A 64 -7.411 -12.047 0.162 1.00 31.33 H new ATOM 0 HE2 PHE A 64 -10.066 -9.103 1.739 1.00 51.55 H new ATOM 0 HZ PHE A 64 -8.665 -11.103 2.063 1.00 70.20 H new ATOM 1052 N ASP A 65 -7.697 -8.280 -5.468 1.00 54.43 N ATOM 1053 CA ASP A 65 -7.712 -7.960 -6.892 1.00 60.20 C ATOM 1054 C ASP A 65 -9.147 -7.780 -7.393 1.00 13.25 C ATOM 1055 O ASP A 65 -10.025 -8.600 -7.109 1.00 25.11 O ATOM 1056 CB ASP A 65 -7.002 -9.065 -7.692 1.00 53.42 C ATOM 1057 CG ASP A 65 -7.645 -10.436 -7.516 1.00 74.30 C ATOM 1058 OD1 ASP A 65 -7.589 -10.987 -6.396 1.00 61.21 O ATOM 1059 OD2 ASP A 65 -8.216 -10.965 -8.497 1.00 21.35 O ATOM 0 H ASP A 65 -7.499 -9.259 -5.262 1.00 54.43 H new ATOM 0 HA ASP A 65 -7.179 -7.021 -7.039 1.00 60.20 H new ATOM 0 HB2 ASP A 65 -7.007 -8.801 -8.749 1.00 53.42 H new ATOM 0 HB3 ASP A 65 -5.958 -9.117 -7.382 1.00 53.42 H new ATOM 1064 N ASP A 66 -9.376 -6.696 -8.131 1.00 51.23 N ATOM 1065 CA ASP A 66 -10.687 -6.402 -8.718 1.00 71.33 C ATOM 1066 C ASP A 66 -10.604 -6.381 -10.241 1.00 72.42 C ATOM 1067 O ASP A 66 -9.521 -6.486 -10.816 1.00 24.44 O ATOM 1068 CB ASP A 66 -11.234 -5.046 -8.223 1.00 21.54 C ATOM 1069 CG ASP A 66 -12.113 -5.156 -6.984 1.00 62.44 C ATOM 1070 OD1 ASP A 66 -13.020 -6.019 -6.968 1.00 5.24 O ATOM 1071 OD2 ASP A 66 -11.939 -4.341 -6.047 1.00 54.45 O ATOM 0 H ASP A 66 -8.663 -5.997 -8.340 1.00 51.23 H new ATOM 0 HA ASP A 66 -11.367 -7.193 -8.401 1.00 71.33 H new ATOM 0 HB2 ASP A 66 -10.396 -4.384 -8.006 1.00 21.54 H new ATOM 0 HB3 ASP A 66 -11.808 -4.581 -9.025 1.00 21.54 H new ATOM 1076 N GLN A 67 -11.774 -6.273 -10.873 1.00 65.43 N ATOM 1077 CA GLN A 67 -11.906 -6.112 -12.328 1.00 43.34 C ATOM 1078 C GLN A 67 -11.387 -7.318 -13.124 1.00 11.42 C ATOM 1079 O GLN A 67 -11.524 -7.352 -14.350 1.00 4.03 O ATOM 1080 CB GLN A 67 -11.213 -4.827 -12.809 1.00 35.11 C ATOM 1081 CG GLN A 67 -11.726 -3.553 -12.139 1.00 11.34 C ATOM 1082 CD GLN A 67 -11.247 -2.288 -12.835 1.00 12.44 C ATOM 1083 OE1 GLN A 67 -10.189 -2.270 -13.459 1.00 24.13 O ATOM 1084 NE2 GLN A 67 -12.024 -1.219 -12.734 1.00 62.35 N ATOM 0 H GLN A 67 -12.670 -6.295 -10.386 1.00 65.43 H new ATOM 0 HA GLN A 67 -12.976 -6.040 -12.521 1.00 43.34 H new ATOM 0 HB2 GLN A 67 -10.142 -4.915 -12.627 1.00 35.11 H new ATOM 0 HB3 GLN A 67 -11.346 -4.737 -13.887 1.00 35.11 H new ATOM 0 HG2 GLN A 67 -12.816 -3.567 -12.129 1.00 11.34 H new ATOM 0 HG3 GLN A 67 -11.398 -3.537 -11.100 1.00 11.34 H new ATOM 0 HE21 GLN A 67 -12.896 -1.270 -12.208 1.00 62.35 H new ATOM 0 HE22 GLN A 67 -11.750 -0.345 -13.183 1.00 62.35 H new ATOM 1093 N ASN A 68 -10.806 -8.310 -12.446 1.00 33.55 N ATOM 1094 CA ASN A 68 -10.351 -9.523 -13.122 1.00 24.14 C ATOM 1095 C ASN A 68 -11.556 -10.375 -13.497 1.00 23.11 C ATOM 1096 O ASN A 68 -11.881 -11.364 -12.837 1.00 11.34 O ATOM 1097 CB ASN A 68 -9.356 -10.321 -12.264 1.00 74.03 C ATOM 1098 CG ASN A 68 -8.059 -9.564 -12.031 1.00 42.14 C ATOM 1099 OD1 ASN A 68 -7.136 -9.622 -12.849 1.00 24.33 O ATOM 1100 ND2 ASN A 68 -7.970 -8.862 -10.912 1.00 12.24 N ATOM 0 H ASN A 68 -10.641 -8.297 -11.439 1.00 33.55 H new ATOM 0 HA ASN A 68 -9.818 -9.232 -14.028 1.00 24.14 H new ATOM 0 HB2 ASN A 68 -9.815 -10.556 -11.303 1.00 74.03 H new ATOM 0 HB3 ASN A 68 -9.137 -11.270 -12.753 1.00 74.03 H new ATOM 0 HD21 ASN A 68 -7.117 -8.344 -10.701 1.00 12.24 H new ATOM 0 HD22 ASN A 68 -8.755 -8.839 -10.261 1.00 12.24 H new ATOM 1107 N GLN A 69 -12.228 -9.933 -14.547 1.00 11.55 N ATOM 1108 CA GLN A 69 -13.468 -10.531 -15.018 1.00 13.11 C ATOM 1109 C GLN A 69 -13.755 -9.997 -16.414 1.00 64.04 C ATOM 1110 O GLN A 69 -14.218 -10.719 -17.294 1.00 73.52 O ATOM 1111 CB GLN A 69 -14.619 -10.190 -14.056 1.00 43.42 C ATOM 1112 CG GLN A 69 -14.773 -8.695 -13.788 1.00 12.35 C ATOM 1113 CD GLN A 69 -15.764 -8.382 -12.682 1.00 24.13 C ATOM 1114 OE1 GLN A 69 -15.400 -8.326 -11.507 1.00 42.03 O ATOM 1115 NE2 GLN A 69 -17.019 -8.168 -13.047 1.00 13.14 N ATOM 0 H GLN A 69 -11.923 -9.136 -15.106 1.00 11.55 H new ATOM 0 HA GLN A 69 -13.375 -11.616 -15.053 1.00 13.11 H new ATOM 0 HB2 GLN A 69 -15.552 -10.574 -14.469 1.00 43.42 H new ATOM 0 HB3 GLN A 69 -14.454 -10.705 -13.109 1.00 43.42 H new ATOM 0 HG2 GLN A 69 -13.801 -8.278 -13.524 1.00 12.35 H new ATOM 0 HG3 GLN A 69 -15.094 -8.200 -14.705 1.00 12.35 H new ATOM 0 HE21 GLN A 69 -17.280 -8.224 -14.031 1.00 13.14 H new ATOM 0 HE22 GLN A 69 -17.724 -7.947 -12.344 1.00 13.14 H new ATOM 1124 N LYS A 70 -13.453 -8.713 -16.595 1.00 12.52 N ATOM 1125 CA LYS A 70 -13.527 -8.047 -17.887 1.00 71.23 C ATOM 1126 C LYS A 70 -12.276 -7.192 -18.057 1.00 21.51 C ATOM 1127 O LYS A 70 -11.859 -6.519 -17.112 1.00 3.15 O ATOM 1128 CB LYS A 70 -14.781 -7.162 -17.975 1.00 30.31 C ATOM 1129 CG LYS A 70 -16.092 -7.934 -17.861 1.00 23.32 C ATOM 1130 CD LYS A 70 -17.303 -7.004 -17.913 1.00 43.33 C ATOM 1131 CE LYS A 70 -18.613 -7.776 -17.803 1.00 21.54 C ATOM 1132 NZ LYS A 70 -19.799 -6.878 -17.834 1.00 62.33 N ATOM 0 H LYS A 70 -13.147 -8.102 -15.838 1.00 12.52 H new ATOM 0 HA LYS A 70 -13.588 -8.794 -18.678 1.00 71.23 H new ATOM 0 HB2 LYS A 70 -14.742 -6.413 -17.184 1.00 30.31 H new ATOM 0 HB3 LYS A 70 -14.769 -6.625 -18.923 1.00 30.31 H new ATOM 0 HG2 LYS A 70 -16.157 -8.662 -18.670 1.00 23.32 H new ATOM 0 HG3 LYS A 70 -16.104 -8.495 -16.926 1.00 23.32 H new ATOM 0 HD2 LYS A 70 -17.239 -6.278 -17.102 1.00 43.33 H new ATOM 0 HD3 LYS A 70 -17.290 -6.441 -18.846 1.00 43.33 H new ATOM 0 HE2 LYS A 70 -18.680 -8.492 -18.622 1.00 21.54 H new ATOM 0 HE3 LYS A 70 -18.618 -8.350 -16.876 1.00 21.54 H new ATOM 0 HZ1 LYS A 70 -20.667 -7.446 -17.757 1.00 62.33 H new ATOM 0 HZ2 LYS A 70 -19.750 -6.210 -17.038 1.00 62.33 H new ATOM 0 HZ3 LYS A 70 -19.810 -6.349 -18.729 1.00 62.33 H new ATOM 1146 N ALA A 71 -11.678 -7.226 -19.242 1.00 13.05 N ATOM 1147 CA ALA A 71 -10.447 -6.481 -19.503 1.00 33.31 C ATOM 1148 C ALA A 71 -10.653 -4.983 -19.271 1.00 70.44 C ATOM 1149 O ALA A 71 -11.018 -4.243 -20.187 1.00 55.15 O ATOM 1150 CB ALA A 71 -9.952 -6.749 -20.920 1.00 11.20 C ATOM 0 H ALA A 71 -12.024 -7.761 -20.039 1.00 13.05 H new ATOM 0 HA ALA A 71 -9.685 -6.824 -18.803 1.00 33.31 H new ATOM 0 HB1 ALA A 71 -9.035 -6.187 -21.098 1.00 11.20 H new ATOM 0 HB2 ALA A 71 -9.754 -7.814 -21.041 1.00 11.20 H new ATOM 0 HB3 ALA A 71 -10.713 -6.438 -21.636 1.00 11.20 H new ATOM 1156 N THR A 72 -10.456 -4.553 -18.028 1.00 30.34 N ATOM 1157 CA THR A 72 -10.601 -3.150 -17.660 1.00 44.20 C ATOM 1158 C THR A 72 -9.236 -2.546 -17.312 1.00 33.10 C ATOM 1159 O THR A 72 -8.622 -1.872 -18.142 1.00 23.12 O ATOM 1160 CB THR A 72 -11.575 -2.986 -16.472 1.00 15.40 C ATOM 1161 OG1 THR A 72 -12.780 -3.728 -16.728 1.00 1.22 O ATOM 1162 CG2 THR A 72 -11.917 -1.518 -16.238 1.00 73.11 C ATOM 0 H THR A 72 -10.193 -5.163 -17.254 1.00 30.34 H new ATOM 0 HA THR A 72 -11.015 -2.618 -18.516 1.00 44.20 H new ATOM 0 HB THR A 72 -11.088 -3.370 -15.576 1.00 15.40 H new ATOM 0 HG1 THR A 72 -12.577 -4.687 -16.742 1.00 1.22 H new ATOM 0 HG21 THR A 72 -12.604 -1.434 -15.396 1.00 73.11 H new ATOM 0 HG22 THR A 72 -11.005 -0.962 -16.019 1.00 73.11 H new ATOM 0 HG23 THR A 72 -12.387 -1.107 -17.132 1.00 73.11 H new ATOM 1170 N PHE A 73 -8.753 -2.811 -16.098 1.00 22.44 N ATOM 1171 CA PHE A 73 -7.451 -2.316 -15.661 1.00 20.41 C ATOM 1172 C PHE A 73 -7.020 -3.077 -14.404 1.00 54.01 C ATOM 1173 O PHE A 73 -7.537 -2.841 -13.316 1.00 44.43 O ATOM 1174 CB PHE A 73 -7.521 -0.796 -15.401 1.00 20.32 C ATOM 1175 CG PHE A 73 -6.187 -0.087 -15.431 1.00 70.22 C ATOM 1176 CD1 PHE A 73 -5.209 -0.451 -16.347 1.00 42.42 C ATOM 1177 CD2 PHE A 73 -5.918 0.959 -14.556 1.00 63.04 C ATOM 1178 CE1 PHE A 73 -3.994 0.205 -16.386 1.00 63.42 C ATOM 1179 CE2 PHE A 73 -4.706 1.620 -14.596 1.00 70.32 C ATOM 1180 CZ PHE A 73 -3.743 1.243 -15.511 1.00 73.41 C ATOM 0 H PHE A 73 -9.246 -3.367 -15.400 1.00 22.44 H new ATOM 0 HA PHE A 73 -6.709 -2.484 -16.442 1.00 20.41 H new ATOM 0 HB2 PHE A 73 -8.174 -0.343 -16.147 1.00 20.32 H new ATOM 0 HB3 PHE A 73 -7.984 -0.629 -14.429 1.00 20.32 H new ATOM 0 HD1 PHE A 73 -5.401 -1.258 -17.038 1.00 42.42 H new ATOM 0 HD2 PHE A 73 -6.666 1.258 -13.836 1.00 63.04 H new ATOM 0 HE1 PHE A 73 -3.241 -0.094 -17.100 1.00 63.42 H new ATOM 0 HE2 PHE A 73 -4.511 2.432 -13.911 1.00 70.32 H new ATOM 0 HZ PHE A 73 -2.795 1.759 -15.542 1.00 73.41 H new ATOM 1190 N GLU A 74 -6.082 -4.007 -14.575 1.00 22.23 N ATOM 1191 CA GLU A 74 -5.660 -4.911 -13.497 1.00 23.14 C ATOM 1192 C GLU A 74 -5.138 -4.148 -12.276 1.00 22.04 C ATOM 1193 O GLU A 74 -5.199 -4.647 -11.148 1.00 31.31 O ATOM 1194 CB GLU A 74 -4.580 -5.886 -14.002 1.00 20.11 C ATOM 1195 CG GLU A 74 -3.245 -5.228 -14.366 1.00 42.42 C ATOM 1196 CD GLU A 74 -3.364 -4.200 -15.480 1.00 14.14 C ATOM 1197 OE1 GLU A 74 -3.547 -4.605 -16.650 1.00 2.11 O ATOM 1198 OE2 GLU A 74 -3.288 -2.989 -15.194 1.00 63.41 O ATOM 0 H GLU A 74 -5.593 -4.158 -15.458 1.00 22.23 H new ATOM 0 HA GLU A 74 -6.542 -5.472 -13.188 1.00 23.14 H new ATOM 0 HB2 GLU A 74 -4.401 -6.639 -13.234 1.00 20.11 H new ATOM 0 HB3 GLU A 74 -4.963 -6.409 -14.878 1.00 20.11 H new ATOM 0 HG2 GLU A 74 -2.832 -4.747 -13.480 1.00 42.42 H new ATOM 0 HG3 GLU A 74 -2.538 -6.000 -14.668 1.00 42.42 H new ATOM 1205 N THR A 75 -4.617 -2.949 -12.508 1.00 53.51 N ATOM 1206 CA THR A 75 -4.037 -2.136 -11.445 1.00 62.44 C ATOM 1207 C THR A 75 -5.074 -1.207 -10.804 1.00 53.40 C ATOM 1208 O THR A 75 -4.744 -0.408 -9.922 1.00 0.22 O ATOM 1209 CB THR A 75 -2.847 -1.309 -11.987 1.00 31.35 C ATOM 1210 OG1 THR A 75 -3.196 -0.726 -13.249 1.00 2.22 O ATOM 1211 CG2 THR A 75 -1.603 -2.177 -12.156 1.00 61.02 C ATOM 0 H THR A 75 -4.584 -2.515 -13.431 1.00 53.51 H new ATOM 0 HA THR A 75 -3.680 -2.818 -10.673 1.00 62.44 H new ATOM 0 HB THR A 75 -2.624 -0.524 -11.264 1.00 31.35 H new ATOM 0 HG1 THR A 75 -3.693 0.105 -13.099 1.00 2.22 H new ATOM 0 HG21 THR A 75 -0.784 -1.568 -12.538 1.00 61.02 H new ATOM 0 HG22 THR A 75 -1.321 -2.601 -11.192 1.00 61.02 H new ATOM 0 HG23 THR A 75 -1.814 -2.983 -12.859 1.00 61.02 H new ATOM 1219 N LYS A 76 -6.328 -1.315 -11.239 1.00 62.44 N ATOM 1220 CA LYS A 76 -7.412 -0.511 -10.681 1.00 70.42 C ATOM 1221 C LYS A 76 -8.299 -1.362 -9.776 1.00 54.02 C ATOM 1222 O LYS A 76 -9.012 -2.252 -10.239 1.00 25.41 O ATOM 1223 CB LYS A 76 -8.250 0.118 -11.802 1.00 62.22 C ATOM 1224 CG LYS A 76 -9.408 0.979 -11.299 1.00 15.21 C ATOM 1225 CD LYS A 76 -8.917 2.182 -10.497 1.00 61.33 C ATOM 1226 CE LYS A 76 -10.077 2.999 -9.943 1.00 41.41 C ATOM 1227 NZ LYS A 76 -11.006 3.439 -11.016 1.00 62.43 N ATOM 0 H LYS A 76 -6.618 -1.954 -11.979 1.00 62.44 H new ATOM 0 HA LYS A 76 -6.971 0.289 -10.086 1.00 70.42 H new ATOM 0 HB2 LYS A 76 -7.601 0.729 -12.429 1.00 62.22 H new ATOM 0 HB3 LYS A 76 -8.648 -0.676 -12.434 1.00 62.22 H new ATOM 0 HG2 LYS A 76 -9.998 1.325 -12.147 1.00 15.21 H new ATOM 0 HG3 LYS A 76 -10.068 0.373 -10.678 1.00 15.21 H new ATOM 0 HD2 LYS A 76 -8.288 1.840 -9.676 1.00 61.33 H new ATOM 0 HD3 LYS A 76 -8.297 2.814 -11.132 1.00 61.33 H new ATOM 0 HE2 LYS A 76 -10.623 2.404 -9.211 1.00 41.41 H new ATOM 0 HE3 LYS A 76 -9.689 3.872 -9.418 1.00 41.41 H new ATOM 0 HZ1 LYS A 76 -11.661 4.153 -10.637 1.00 62.43 H new ATOM 0 HZ2 LYS A 76 -10.461 3.851 -11.800 1.00 62.43 H new ATOM 0 HZ3 LYS A 76 -11.548 2.622 -11.363 1.00 62.43 H new ATOM 1241 N ILE A 77 -8.236 -1.088 -8.482 1.00 54.45 N ATOM 1242 CA ILE A 77 -9.050 -1.790 -7.500 1.00 1.22 C ATOM 1243 C ILE A 77 -10.341 -1.009 -7.234 1.00 34.25 C ATOM 1244 O ILE A 77 -10.310 0.214 -7.071 1.00 21.00 O ATOM 1245 CB ILE A 77 -8.272 -1.984 -6.175 1.00 74.14 C ATOM 1246 CG1 ILE A 77 -6.901 -2.625 -6.447 1.00 3.40 C ATOM 1247 CG2 ILE A 77 -9.075 -2.836 -5.194 1.00 14.50 C ATOM 1248 CD1 ILE A 77 -6.033 -2.757 -5.213 1.00 54.23 C ATOM 0 H ILE A 77 -7.623 -0.377 -8.084 1.00 54.45 H new ATOM 0 HA ILE A 77 -9.298 -2.772 -7.902 1.00 1.22 H new ATOM 0 HB ILE A 77 -8.115 -1.004 -5.725 1.00 74.14 H new ATOM 0 HG12 ILE A 77 -7.052 -3.613 -6.881 1.00 3.40 H new ATOM 0 HG13 ILE A 77 -6.372 -2.028 -7.190 1.00 3.40 H new ATOM 0 HG21 ILE A 77 -8.509 -2.959 -4.271 1.00 14.50 H new ATOM 0 HG22 ILE A 77 -10.023 -2.344 -4.976 1.00 14.50 H new ATOM 0 HG23 ILE A 77 -9.267 -3.814 -5.635 1.00 14.50 H new ATOM 0 HD11 ILE A 77 -5.083 -3.217 -5.484 1.00 54.23 H new ATOM 0 HD12 ILE A 77 -5.850 -1.769 -4.790 1.00 54.23 H new ATOM 0 HD13 ILE A 77 -6.541 -3.379 -4.476 1.00 54.23 H new ATOM 1260 N SER A 78 -11.470 -1.711 -7.188 1.00 73.04 N ATOM 1261 CA SER A 78 -12.770 -1.072 -7.005 1.00 25.54 C ATOM 1262 C SER A 78 -12.978 -0.690 -5.538 1.00 64.43 C ATOM 1263 O SER A 78 -13.276 0.465 -5.223 1.00 61.11 O ATOM 1264 CB SER A 78 -13.887 -2.008 -7.487 1.00 11.33 C ATOM 1265 OG SER A 78 -13.657 -2.418 -8.829 1.00 24.21 O ATOM 0 H SER A 78 -11.511 -2.726 -7.275 1.00 73.04 H new ATOM 0 HA SER A 78 -12.801 -0.159 -7.599 1.00 25.54 H new ATOM 0 HB2 SER A 78 -13.940 -2.883 -6.839 1.00 11.33 H new ATOM 0 HB3 SER A 78 -14.849 -1.500 -7.417 1.00 11.33 H new ATOM 0 HG SER A 78 -14.379 -3.015 -9.117 1.00 24.21 H new ATOM 1271 N THR A 79 -12.790 -1.660 -4.642 1.00 61.33 N ATOM 1272 CA THR A 79 -12.938 -1.425 -3.205 1.00 5.40 C ATOM 1273 C THR A 79 -11.997 -0.311 -2.737 1.00 75.25 C ATOM 1274 O THR A 79 -12.258 0.362 -1.740 1.00 1.51 O ATOM 1275 CB THR A 79 -12.687 -2.723 -2.391 1.00 62.55 C ATOM 1276 OG1 THR A 79 -12.715 -2.455 -0.982 1.00 5.35 O ATOM 1277 CG2 THR A 79 -11.361 -3.373 -2.765 1.00 14.14 C ATOM 0 H THR A 79 -12.535 -2.617 -4.886 1.00 61.33 H new ATOM 0 HA THR A 79 -13.966 -1.109 -3.027 1.00 5.40 H new ATOM 0 HB THR A 79 -13.490 -3.417 -2.638 1.00 62.55 H new ATOM 0 HG1 THR A 79 -12.556 -3.286 -0.488 1.00 5.35 H new ATOM 0 HG21 THR A 79 -11.220 -4.278 -2.175 1.00 14.14 H new ATOM 0 HG22 THR A 79 -11.367 -3.628 -3.825 1.00 14.14 H new ATOM 0 HG23 THR A 79 -10.546 -2.678 -2.564 1.00 14.14 H new ATOM 1285 N LEU A 80 -10.916 -0.106 -3.487 1.00 71.41 N ATOM 1286 CA LEU A 80 -9.959 0.956 -3.201 1.00 52.14 C ATOM 1287 C LEU A 80 -10.623 2.328 -3.288 1.00 54.42 C ATOM 1288 O LEU A 80 -10.664 3.068 -2.307 1.00 64.24 O ATOM 1289 CB LEU A 80 -8.782 0.881 -4.180 1.00 10.32 C ATOM 1290 CG LEU A 80 -7.812 2.074 -4.149 1.00 51.10 C ATOM 1291 CD1 LEU A 80 -7.203 2.253 -2.761 1.00 71.52 C ATOM 1292 CD2 LEU A 80 -6.722 1.914 -5.208 1.00 52.52 C ATOM 0 H LEU A 80 -10.681 -0.669 -4.305 1.00 71.41 H new ATOM 0 HA LEU A 80 -9.590 0.818 -2.185 1.00 52.14 H new ATOM 0 HB2 LEU A 80 -8.218 -0.028 -3.972 1.00 10.32 H new ATOM 0 HB3 LEU A 80 -9.179 0.785 -5.191 1.00 10.32 H new ATOM 0 HG LEU A 80 -8.380 2.975 -4.381 1.00 51.10 H new ATOM 0 HD11 LEU A 80 -6.522 3.104 -2.770 1.00 71.52 H new ATOM 0 HD12 LEU A 80 -7.997 2.431 -2.036 1.00 71.52 H new ATOM 0 HD13 LEU A 80 -6.655 1.352 -2.485 1.00 71.52 H new ATOM 0 HD21 LEU A 80 -6.047 2.769 -5.168 1.00 52.52 H new ATOM 0 HD22 LEU A 80 -6.160 1.000 -5.017 1.00 52.52 H new ATOM 0 HD23 LEU A 80 -7.180 1.859 -6.196 1.00 52.52 H new ATOM 1304 N ASP A 81 -11.152 2.652 -4.464 1.00 31.11 N ATOM 1305 CA ASP A 81 -11.744 3.967 -4.707 1.00 55.15 C ATOM 1306 C ASP A 81 -12.915 4.215 -3.756 1.00 65.32 C ATOM 1307 O ASP A 81 -13.146 5.344 -3.312 1.00 22.00 O ATOM 1308 CB ASP A 81 -12.199 4.081 -6.169 1.00 70.51 C ATOM 1309 CG ASP A 81 -12.783 5.445 -6.506 1.00 14.34 C ATOM 1310 OD1 ASP A 81 -12.038 6.449 -6.462 1.00 21.44 O ATOM 1311 OD2 ASP A 81 -13.984 5.518 -6.841 1.00 14.54 O ATOM 0 H ASP A 81 -11.184 2.022 -5.266 1.00 31.11 H new ATOM 0 HA ASP A 81 -10.988 4.729 -4.518 1.00 55.15 H new ATOM 0 HB2 ASP A 81 -11.351 3.883 -6.824 1.00 70.51 H new ATOM 0 HB3 ASP A 81 -12.945 3.312 -6.373 1.00 70.51 H new ATOM 1316 N GLU A 82 -13.634 3.144 -3.429 1.00 41.24 N ATOM 1317 CA GLU A 82 -14.738 3.220 -2.474 1.00 33.30 C ATOM 1318 C GLU A 82 -14.211 3.554 -1.075 1.00 75.50 C ATOM 1319 O GLU A 82 -14.814 4.338 -0.341 1.00 2.43 O ATOM 1320 CB GLU A 82 -15.501 1.889 -2.440 1.00 60.51 C ATOM 1321 CG GLU A 82 -16.108 1.489 -3.780 1.00 55.33 C ATOM 1322 CD GLU A 82 -17.155 2.477 -4.276 1.00 72.52 C ATOM 1323 OE1 GLU A 82 -18.263 2.512 -3.696 1.00 54.35 O ATOM 1324 OE2 GLU A 82 -16.886 3.206 -5.254 1.00 63.43 O ATOM 0 H GLU A 82 -13.472 2.212 -3.811 1.00 41.24 H new ATOM 0 HA GLU A 82 -15.417 4.011 -2.792 1.00 33.30 H new ATOM 0 HB2 GLU A 82 -14.823 1.102 -2.110 1.00 60.51 H new ATOM 0 HB3 GLU A 82 -16.296 1.957 -1.698 1.00 60.51 H new ATOM 0 HG2 GLU A 82 -15.314 1.406 -4.522 1.00 55.33 H new ATOM 0 HG3 GLU A 82 -16.562 0.502 -3.687 1.00 55.33 H new ATOM 1331 N TYR A 83 -13.086 2.937 -0.720 1.00 65.42 N ATOM 1332 CA TYR A 83 -12.440 3.148 0.576 1.00 2.33 C ATOM 1333 C TYR A 83 -11.910 4.577 0.688 1.00 31.35 C ATOM 1334 O TYR A 83 -12.099 5.248 1.706 1.00 2.00 O ATOM 1335 CB TYR A 83 -11.296 2.134 0.740 1.00 21.13 C ATOM 1336 CG TYR A 83 -10.467 2.292 2.006 1.00 32.30 C ATOM 1337 CD1 TYR A 83 -10.937 1.834 3.230 1.00 71.23 C ATOM 1338 CD2 TYR A 83 -9.202 2.873 1.967 1.00 20.33 C ATOM 1339 CE1 TYR A 83 -10.173 1.951 4.377 1.00 50.23 C ATOM 1340 CE2 TYR A 83 -8.435 2.997 3.112 1.00 3.33 C ATOM 1341 CZ TYR A 83 -8.925 2.534 4.313 1.00 15.14 C ATOM 1342 OH TYR A 83 -8.158 2.640 5.455 1.00 2.25 O ATOM 0 H TYR A 83 -12.595 2.276 -1.322 1.00 65.42 H new ATOM 0 HA TYR A 83 -13.171 3.000 1.371 1.00 2.33 H new ATOM 0 HB2 TYR A 83 -11.718 1.129 0.724 1.00 21.13 H new ATOM 0 HB3 TYR A 83 -10.633 2.215 -0.122 1.00 21.13 H new ATOM 0 HD1 TYR A 83 -11.915 1.379 3.287 1.00 71.23 H new ATOM 0 HD2 TYR A 83 -8.813 3.233 1.026 1.00 20.33 H new ATOM 0 HE1 TYR A 83 -10.553 1.587 5.320 1.00 50.23 H new ATOM 0 HE2 TYR A 83 -7.458 3.454 3.064 1.00 3.33 H new ATOM 0 HH TYR A 83 -7.294 3.044 5.232 1.00 2.25 H new ATOM 1352 N ILE A 84 -11.259 5.038 -0.376 1.00 32.50 N ATOM 1353 CA ILE A 84 -10.659 6.370 -0.407 1.00 13.24 C ATOM 1354 C ILE A 84 -11.717 7.450 -0.182 1.00 60.41 C ATOM 1355 O ILE A 84 -11.485 8.414 0.549 1.00 1.31 O ATOM 1356 CB ILE A 84 -9.924 6.631 -1.748 1.00 75.15 C ATOM 1357 CG1 ILE A 84 -8.787 5.613 -1.945 1.00 23.34 C ATOM 1358 CG2 ILE A 84 -9.386 8.063 -1.814 1.00 73.34 C ATOM 1359 CD1 ILE A 84 -7.757 5.602 -0.830 1.00 52.42 C ATOM 0 H ILE A 84 -11.132 4.504 -1.236 1.00 32.50 H new ATOM 0 HA ILE A 84 -9.929 6.413 0.401 1.00 13.24 H new ATOM 0 HB ILE A 84 -10.644 6.508 -2.557 1.00 75.15 H new ATOM 0 HG12 ILE A 84 -9.219 4.616 -2.034 1.00 23.34 H new ATOM 0 HG13 ILE A 84 -8.283 5.827 -2.887 1.00 23.34 H new ATOM 0 HG21 ILE A 84 -8.876 8.217 -2.765 1.00 73.34 H new ATOM 0 HG22 ILE A 84 -10.214 8.767 -1.728 1.00 73.34 H new ATOM 0 HG23 ILE A 84 -8.685 8.226 -0.996 1.00 73.34 H new ATOM 0 HD11 ILE A 84 -6.992 4.857 -1.048 1.00 52.42 H new ATOM 0 HD12 ILE A 84 -7.294 6.586 -0.753 1.00 52.42 H new ATOM 0 HD13 ILE A 84 -8.245 5.356 0.113 1.00 52.42 H new ATOM 1371 N TYR A 85 -12.883 7.261 -0.792 1.00 75.41 N ATOM 1372 CA TYR A 85 -13.977 8.228 -0.691 1.00 24.12 C ATOM 1373 C TYR A 85 -14.414 8.424 0.765 1.00 45.11 C ATOM 1374 O TYR A 85 -14.899 9.496 1.140 1.00 73.23 O ATOM 1375 CB TYR A 85 -15.170 7.770 -1.546 1.00 12.22 C ATOM 1376 CG TYR A 85 -16.370 8.700 -1.469 1.00 44.14 C ATOM 1377 CD1 TYR A 85 -16.426 9.863 -2.233 1.00 23.34 C ATOM 1378 CD2 TYR A 85 -17.438 8.425 -0.619 1.00 45.50 C ATOM 1379 CE1 TYR A 85 -17.509 10.717 -2.152 1.00 24.51 C ATOM 1380 CE2 TYR A 85 -18.519 9.277 -0.533 1.00 11.53 C ATOM 1381 CZ TYR A 85 -18.551 10.420 -1.301 1.00 15.10 C ATOM 1382 OH TYR A 85 -19.626 11.274 -1.207 1.00 44.32 O ATOM 0 H TYR A 85 -13.098 6.444 -1.364 1.00 75.41 H new ATOM 0 HA TYR A 85 -13.616 9.186 -1.065 1.00 24.12 H new ATOM 0 HB2 TYR A 85 -14.851 7.688 -2.585 1.00 12.22 H new ATOM 0 HB3 TYR A 85 -15.473 6.773 -1.226 1.00 12.22 H new ATOM 0 HD1 TYR A 85 -15.610 10.101 -2.899 1.00 23.34 H new ATOM 0 HD2 TYR A 85 -17.420 7.529 -0.017 1.00 45.50 H new ATOM 0 HE1 TYR A 85 -17.539 11.614 -2.753 1.00 24.51 H new ATOM 0 HE2 TYR A 85 -19.337 9.049 0.134 1.00 11.53 H new ATOM 0 HH TYR A 85 -20.273 10.916 -0.563 1.00 44.32 H new ATOM 1392 N GLU A 86 -14.231 7.390 1.581 1.00 20.03 N ATOM 1393 CA GLU A 86 -14.668 7.423 2.976 1.00 61.30 C ATOM 1394 C GLU A 86 -13.855 8.423 3.802 1.00 44.24 C ATOM 1395 O GLU A 86 -14.393 9.084 4.689 1.00 3.41 O ATOM 1396 CB GLU A 86 -14.564 6.027 3.611 1.00 4.43 C ATOM 1397 CG GLU A 86 -15.471 4.981 2.972 1.00 5.44 C ATOM 1398 CD GLU A 86 -15.401 3.637 3.682 1.00 64.05 C ATOM 1399 OE1 GLU A 86 -15.790 3.571 4.870 1.00 40.33 O ATOM 1400 OE2 GLU A 86 -14.980 2.638 3.059 1.00 63.11 O ATOM 0 H GLU A 86 -13.783 6.517 1.301 1.00 20.03 H new ATOM 0 HA GLU A 86 -15.709 7.745 2.978 1.00 61.30 H new ATOM 0 HB2 GLU A 86 -13.531 5.686 3.544 1.00 4.43 H new ATOM 0 HB3 GLU A 86 -14.806 6.103 4.671 1.00 4.43 H new ATOM 0 HG2 GLU A 86 -16.500 5.341 2.983 1.00 5.44 H new ATOM 0 HG3 GLU A 86 -15.190 4.851 1.927 1.00 5.44 H new ATOM 1407 N TYR A 87 -12.562 8.541 3.507 1.00 34.12 N ATOM 1408 CA TYR A 87 -11.655 9.313 4.363 1.00 15.15 C ATOM 1409 C TYR A 87 -11.019 10.495 3.630 1.00 12.22 C ATOM 1410 O TYR A 87 -10.856 11.573 4.204 1.00 40.42 O ATOM 1411 CB TYR A 87 -10.544 8.403 4.908 1.00 72.04 C ATOM 1412 CG TYR A 87 -11.059 7.167 5.620 1.00 13.34 C ATOM 1413 CD1 TYR A 87 -11.512 7.230 6.934 1.00 64.05 C ATOM 1414 CD2 TYR A 87 -11.095 5.936 4.972 1.00 3.12 C ATOM 1415 CE1 TYR A 87 -11.985 6.102 7.580 1.00 54.21 C ATOM 1416 CE2 TYR A 87 -11.568 4.808 5.612 1.00 23.51 C ATOM 1417 CZ TYR A 87 -12.010 4.895 6.914 1.00 14.41 C ATOM 1418 OH TYR A 87 -12.478 3.768 7.553 1.00 2.04 O ATOM 0 H TYR A 87 -12.119 8.118 2.691 1.00 34.12 H new ATOM 0 HA TYR A 87 -12.256 9.712 5.180 1.00 15.15 H new ATOM 0 HB2 TYR A 87 -9.902 8.094 4.083 1.00 72.04 H new ATOM 0 HB3 TYR A 87 -9.923 8.976 5.597 1.00 72.04 H new ATOM 0 HD1 TYR A 87 -11.494 8.174 7.458 1.00 64.05 H new ATOM 0 HD2 TYR A 87 -10.747 5.862 3.952 1.00 3.12 H new ATOM 0 HE1 TYR A 87 -12.333 6.166 8.600 1.00 54.21 H new ATOM 0 HE2 TYR A 87 -11.591 3.861 5.094 1.00 23.51 H new ATOM 0 HH TYR A 87 -12.429 3.002 6.943 1.00 2.04 H new ATOM 1428 N CYS A 88 -10.665 10.299 2.368 1.00 41.00 N ATOM 1429 CA CYS A 88 -9.827 11.258 1.649 1.00 73.11 C ATOM 1430 C CYS A 88 -10.568 11.889 0.468 1.00 31.05 C ATOM 1431 O CYS A 88 -9.956 12.227 -0.545 1.00 74.54 O ATOM 1432 CB CYS A 88 -8.549 10.550 1.169 1.00 11.15 C ATOM 1433 SG CYS A 88 -7.214 11.677 0.654 1.00 4.32 S ATOM 0 H CYS A 88 -10.943 9.486 1.818 1.00 41.00 H new ATOM 0 HA CYS A 88 -9.567 12.068 2.330 1.00 73.11 H new ATOM 0 HB2 CYS A 88 -8.179 9.911 1.971 1.00 11.15 H new ATOM 0 HB3 CYS A 88 -8.801 9.899 0.332 1.00 11.15 H new ATOM 1438 N ASN A 89 -11.877 12.094 0.614 1.00 14.53 N ATOM 1439 CA ASN A 89 -12.679 12.687 -0.460 1.00 63.31 C ATOM 1440 C ASN A 89 -12.275 14.147 -0.694 1.00 4.22 C ATOM 1441 O ASN A 89 -12.384 14.661 -1.808 1.00 14.20 O ATOM 1442 CB ASN A 89 -14.182 12.594 -0.149 1.00 11.24 C ATOM 1443 CG ASN A 89 -15.049 13.071 -1.308 1.00 64.11 C ATOM 1444 OD1 ASN A 89 -14.668 12.959 -2.477 1.00 14.14 O ATOM 1445 ND2 ASN A 89 -16.220 13.603 -0.997 1.00 24.01 N ATOM 0 H ASN A 89 -12.402 11.861 1.457 1.00 14.53 H new ATOM 0 HA ASN A 89 -12.485 12.120 -1.370 1.00 63.31 H new ATOM 0 HB2 ASN A 89 -14.437 11.562 0.090 1.00 11.24 H new ATOM 0 HB3 ASN A 89 -14.404 13.190 0.736 1.00 11.24 H new ATOM 0 HD21 ASN A 89 -16.841 13.937 -1.735 1.00 24.01 H new ATOM 0 HD22 ASN A 89 -16.502 13.679 -0.020 1.00 24.01 H new ATOM 1452 N PHE A 90 -11.795 14.807 0.360 1.00 34.53 N ATOM 1453 CA PHE A 90 -11.307 16.187 0.255 1.00 43.13 C ATOM 1454 C PHE A 90 -9.900 16.236 -0.348 1.00 24.14 C ATOM 1455 O PHE A 90 -9.337 17.316 -0.543 1.00 64.50 O ATOM 1456 CB PHE A 90 -11.312 16.874 1.631 1.00 65.10 C ATOM 1457 CG PHE A 90 -12.694 17.181 2.155 1.00 23.51 C ATOM 1458 CD1 PHE A 90 -13.421 18.246 1.639 1.00 41.13 C ATOM 1459 CD2 PHE A 90 -13.263 16.414 3.162 1.00 13.40 C ATOM 1460 CE1 PHE A 90 -14.684 18.537 2.120 1.00 22.11 C ATOM 1461 CE2 PHE A 90 -14.527 16.703 3.644 1.00 51.15 C ATOM 1462 CZ PHE A 90 -15.237 17.767 3.121 1.00 32.14 C ATOM 0 H PHE A 90 -11.733 14.410 1.298 1.00 34.53 H new ATOM 0 HA PHE A 90 -11.984 16.723 -0.410 1.00 43.13 H new ATOM 0 HB2 PHE A 90 -10.796 16.235 2.347 1.00 65.10 H new ATOM 0 HB3 PHE A 90 -10.744 17.802 1.565 1.00 65.10 H new ATOM 0 HD1 PHE A 90 -12.995 18.853 0.854 1.00 41.13 H new ATOM 0 HD2 PHE A 90 -12.712 15.581 3.574 1.00 13.40 H new ATOM 0 HE1 PHE A 90 -15.238 19.369 1.711 1.00 22.11 H new ATOM 0 HE2 PHE A 90 -14.958 16.098 4.428 1.00 51.15 H new ATOM 0 HZ PHE A 90 -16.224 17.995 3.496 1.00 32.14 H new ATOM 1472 N GLY A 91 -9.341 15.062 -0.645 1.00 12.33 N ATOM 1473 CA GLY A 91 -8.013 14.990 -1.232 1.00 14.31 C ATOM 1474 C GLY A 91 -6.913 15.203 -0.205 1.00 13.53 C ATOM 1475 O GLY A 91 -6.717 16.320 0.284 1.00 44.31 O ATOM 0 H GLY A 91 -9.787 14.158 -0.488 1.00 12.33 H new ATOM 0 HA2 GLY A 91 -7.880 14.017 -1.706 1.00 14.31 H new ATOM 0 HA3 GLY A 91 -7.924 15.742 -2.017 1.00 14.31 H new ATOM 1479 N CYS A 92 -6.198 14.136 0.131 1.00 33.21 N ATOM 1480 CA CYS A 92 -5.123 14.206 1.114 1.00 33.44 C ATOM 1481 C CYS A 92 -3.845 13.570 0.564 1.00 44.32 C ATOM 1482 O CYS A 92 -2.949 14.280 0.097 1.00 53.52 O ATOM 1483 CB CYS A 92 -5.552 13.535 2.433 1.00 43.43 C ATOM 1484 SG CYS A 92 -6.009 11.771 2.287 1.00 4.35 S ATOM 0 H CYS A 92 -6.344 13.207 -0.265 1.00 33.21 H new ATOM 0 HA CYS A 92 -4.913 15.255 1.321 1.00 33.44 H new ATOM 0 HB2 CYS A 92 -4.737 13.626 3.151 1.00 43.43 H new ATOM 0 HB3 CYS A 92 -6.401 14.082 2.843 1.00 43.43 H new ATOM 1489 N ALA A 93 -3.782 12.235 0.587 1.00 50.34 N ATOM 1490 CA ALA A 93 -2.611 11.493 0.125 1.00 3.12 C ATOM 1491 C ALA A 93 -2.797 9.995 0.366 1.00 71.11 C ATOM 1492 O ALA A 93 -3.349 9.591 1.393 1.00 20.44 O ATOM 1493 CB ALA A 93 -1.349 11.980 0.833 1.00 32.25 C ATOM 0 H ALA A 93 -4.540 11.642 0.926 1.00 50.34 H new ATOM 0 HA ALA A 93 -2.501 11.668 -0.945 1.00 3.12 H new ATOM 0 HB1 ALA A 93 -0.489 11.414 0.474 1.00 32.25 H new ATOM 0 HB2 ALA A 93 -1.200 13.039 0.623 1.00 32.25 H new ATOM 0 HB3 ALA A 93 -1.456 11.835 1.908 1.00 32.25 H new ATOM 1499 N TYR A 94 -2.341 9.185 -0.588 1.00 65.35 N ATOM 1500 CA TYR A 94 -2.337 7.727 -0.453 1.00 73.35 C ATOM 1501 C TYR A 94 -1.529 7.105 -1.594 1.00 20.42 C ATOM 1502 O TYR A 94 -1.340 7.733 -2.639 1.00 43.15 O ATOM 1503 CB TYR A 94 -3.768 7.153 -0.428 1.00 54.24 C ATOM 1504 CG TYR A 94 -4.552 7.327 -1.719 1.00 30.11 C ATOM 1505 CD1 TYR A 94 -4.512 6.359 -2.721 1.00 64.41 C ATOM 1506 CD2 TYR A 94 -5.347 8.449 -1.930 1.00 23.20 C ATOM 1507 CE1 TYR A 94 -5.234 6.507 -3.890 1.00 63.35 C ATOM 1508 CE2 TYR A 94 -6.073 8.600 -3.097 1.00 63.51 C ATOM 1509 CZ TYR A 94 -6.013 7.628 -4.072 1.00 1.44 C ATOM 1510 OH TYR A 94 -6.733 7.777 -5.236 1.00 33.33 O ATOM 0 H TYR A 94 -1.964 9.519 -1.475 1.00 65.35 H new ATOM 0 HA TYR A 94 -1.870 7.475 0.499 1.00 73.35 H new ATOM 0 HB2 TYR A 94 -3.713 6.090 -0.194 1.00 54.24 H new ATOM 0 HB3 TYR A 94 -4.320 7.629 0.382 1.00 54.24 H new ATOM 0 HD1 TYR A 94 -3.905 5.477 -2.581 1.00 64.41 H new ATOM 0 HD2 TYR A 94 -5.398 9.215 -1.170 1.00 23.20 H new ATOM 0 HE1 TYR A 94 -5.188 5.748 -4.657 1.00 63.35 H new ATOM 0 HE2 TYR A 94 -6.685 9.477 -3.244 1.00 63.51 H new ATOM 0 HH TYR A 94 -6.119 7.803 -5.999 1.00 33.33 H new ATOM 1520 N PHE A 95 -1.060 5.875 -1.396 1.00 41.21 N ATOM 1521 CA PHE A 95 -0.236 5.192 -2.396 1.00 52.03 C ATOM 1522 C PHE A 95 -0.631 3.720 -2.520 1.00 60.23 C ATOM 1523 O PHE A 95 -1.032 3.096 -1.539 1.00 15.24 O ATOM 1524 CB PHE A 95 1.254 5.324 -2.039 1.00 30.54 C ATOM 1525 CG PHE A 95 1.611 4.843 -0.648 1.00 13.22 C ATOM 1526 CD1 PHE A 95 1.572 5.713 0.435 1.00 75.23 C ATOM 1527 CD2 PHE A 95 1.994 3.527 -0.424 1.00 51.33 C ATOM 1528 CE1 PHE A 95 1.906 5.279 1.705 1.00 64.40 C ATOM 1529 CE2 PHE A 95 2.329 3.091 0.844 1.00 72.25 C ATOM 1530 CZ PHE A 95 2.285 3.968 1.909 1.00 12.03 C ATOM 0 H PHE A 95 -1.235 5.329 -0.552 1.00 41.21 H new ATOM 0 HA PHE A 95 -0.407 5.667 -3.362 1.00 52.03 H new ATOM 0 HB2 PHE A 95 1.840 4.762 -2.766 1.00 30.54 H new ATOM 0 HB3 PHE A 95 1.546 6.370 -2.134 1.00 30.54 H new ATOM 0 HD1 PHE A 95 1.277 6.741 0.283 1.00 75.23 H new ATOM 0 HD2 PHE A 95 2.031 2.835 -1.252 1.00 51.33 H new ATOM 0 HE1 PHE A 95 1.870 5.966 2.537 1.00 64.40 H new ATOM 0 HE2 PHE A 95 2.625 2.064 1.002 1.00 72.25 H new ATOM 0 HZ PHE A 95 2.547 3.629 2.900 1.00 12.03 H new ATOM 1540 N VAL A 96 -0.515 3.176 -3.732 1.00 21.43 N ATOM 1541 CA VAL A 96 -0.910 1.798 -4.018 1.00 34.34 C ATOM 1542 C VAL A 96 0.280 0.987 -4.534 1.00 3.42 C ATOM 1543 O VAL A 96 0.886 1.343 -5.553 1.00 63.43 O ATOM 1544 CB VAL A 96 -2.047 1.752 -5.074 1.00 41.12 C ATOM 1545 CG1 VAL A 96 -2.513 0.316 -5.317 1.00 63.14 C ATOM 1546 CG2 VAL A 96 -3.215 2.642 -4.653 1.00 34.44 C ATOM 0 H VAL A 96 -0.146 3.677 -4.540 1.00 21.43 H new ATOM 0 HA VAL A 96 -1.268 1.363 -3.085 1.00 34.34 H new ATOM 0 HB VAL A 96 -1.650 2.137 -6.013 1.00 41.12 H new ATOM 0 HG11 VAL A 96 -3.310 0.313 -6.061 1.00 63.14 H new ATOM 0 HG12 VAL A 96 -1.676 -0.282 -5.679 1.00 63.14 H new ATOM 0 HG13 VAL A 96 -2.886 -0.108 -4.385 1.00 63.14 H new ATOM 0 HG21 VAL A 96 -4.000 2.594 -5.408 1.00 34.44 H new ATOM 0 HG22 VAL A 96 -3.609 2.297 -3.697 1.00 34.44 H new ATOM 0 HG23 VAL A 96 -2.870 3.671 -4.553 1.00 34.44 H new ATOM 1556 N LEU A 97 0.614 -0.089 -3.824 1.00 22.41 N ATOM 1557 CA LEU A 97 1.689 -1.001 -4.223 1.00 3.41 C ATOM 1558 C LEU A 97 1.117 -2.344 -4.688 1.00 11.12 C ATOM 1559 O LEU A 97 0.288 -2.949 -4.002 1.00 75.12 O ATOM 1560 CB LEU A 97 2.675 -1.227 -3.060 1.00 15.33 C ATOM 1561 CG LEU A 97 3.853 -0.235 -2.968 1.00 64.20 C ATOM 1562 CD1 LEU A 97 3.369 1.194 -2.768 1.00 62.11 C ATOM 1563 CD2 LEU A 97 4.807 -0.640 -1.848 1.00 75.50 C ATOM 0 H LEU A 97 0.149 -0.355 -2.956 1.00 22.41 H new ATOM 0 HA LEU A 97 2.225 -0.541 -5.053 1.00 3.41 H new ATOM 0 HB2 LEU A 97 2.117 -1.186 -2.124 1.00 15.33 H new ATOM 0 HB3 LEU A 97 3.081 -2.235 -3.145 1.00 15.33 H new ATOM 0 HG LEU A 97 4.390 -0.271 -3.916 1.00 64.20 H new ATOM 0 HD11 LEU A 97 4.227 1.864 -2.708 1.00 62.11 H new ATOM 0 HD12 LEU A 97 2.739 1.486 -3.608 1.00 62.11 H new ATOM 0 HD13 LEU A 97 2.794 1.257 -1.844 1.00 62.11 H new ATOM 0 HD21 LEU A 97 5.632 0.071 -1.798 1.00 75.50 H new ATOM 0 HD22 LEU A 97 4.272 -0.643 -0.898 1.00 75.50 H new ATOM 0 HD23 LEU A 97 5.199 -1.637 -2.047 1.00 75.50 H new ATOM 1575 N LYS A 98 1.571 -2.799 -5.853 1.00 73.34 N ATOM 1576 CA LYS A 98 1.168 -4.089 -6.414 1.00 44.30 C ATOM 1577 C LYS A 98 2.325 -5.081 -6.321 1.00 73.33 C ATOM 1578 O LYS A 98 3.440 -4.769 -6.738 1.00 15.33 O ATOM 1579 CB LYS A 98 0.749 -3.908 -7.881 1.00 13.24 C ATOM 1580 CG LYS A 98 0.473 -5.219 -8.614 1.00 3.33 C ATOM 1581 CD LYS A 98 0.013 -4.985 -10.050 1.00 51.22 C ATOM 1582 CE LYS A 98 -0.251 -6.298 -10.776 1.00 32.41 C ATOM 1583 NZ LYS A 98 -1.281 -7.120 -10.087 1.00 23.10 N ATOM 0 H LYS A 98 2.230 -2.284 -6.437 1.00 73.34 H new ATOM 0 HA LYS A 98 0.323 -4.478 -5.846 1.00 44.30 H new ATOM 0 HB2 LYS A 98 -0.146 -3.287 -7.919 1.00 13.24 H new ATOM 0 HB3 LYS A 98 1.535 -3.367 -8.409 1.00 13.24 H new ATOM 0 HG2 LYS A 98 1.376 -5.829 -8.617 1.00 3.33 H new ATOM 0 HG3 LYS A 98 -0.290 -5.782 -8.076 1.00 3.33 H new ATOM 0 HD2 LYS A 98 -0.894 -4.381 -10.048 1.00 51.22 H new ATOM 0 HD3 LYS A 98 0.772 -4.418 -10.588 1.00 51.22 H new ATOM 0 HE2 LYS A 98 -0.576 -6.089 -11.795 1.00 32.41 H new ATOM 0 HE3 LYS A 98 0.677 -6.865 -10.847 1.00 32.41 H new ATOM 0 HZ1 LYS A 98 -1.781 -7.707 -10.785 1.00 23.10 H new ATOM 0 HZ2 LYS A 98 -0.822 -7.734 -9.384 1.00 23.10 H new ATOM 0 HZ3 LYS A 98 -1.961 -6.495 -9.609 1.00 23.10 H new ATOM 1597 N ARG A 99 2.069 -6.270 -5.770 1.00 64.31 N ATOM 1598 CA ARG A 99 3.109 -7.291 -5.655 1.00 61.05 C ATOM 1599 C ARG A 99 3.327 -7.968 -7.006 1.00 2.43 C ATOM 1600 O ARG A 99 2.373 -8.414 -7.648 1.00 64.04 O ATOM 1601 CB ARG A 99 2.760 -8.336 -4.579 1.00 13.43 C ATOM 1602 CG ARG A 99 3.888 -9.333 -4.317 1.00 25.13 C ATOM 1603 CD ARG A 99 3.614 -10.227 -3.110 1.00 50.35 C ATOM 1604 NE ARG A 99 2.455 -11.095 -3.311 1.00 12.02 N ATOM 1605 CZ ARG A 99 2.140 -12.122 -2.521 1.00 71.15 C ATOM 1606 NH1 ARG A 99 2.911 -12.440 -1.490 1.00 51.43 N ATOM 1607 NH2 ARG A 99 1.054 -12.842 -2.766 1.00 3.21 N ATOM 0 H ARG A 99 1.159 -6.546 -5.400 1.00 64.31 H new ATOM 0 HA ARG A 99 4.032 -6.799 -5.348 1.00 61.05 H new ATOM 0 HB2 ARG A 99 2.515 -7.822 -3.649 1.00 13.43 H new ATOM 0 HB3 ARG A 99 1.867 -8.880 -4.887 1.00 13.43 H new ATOM 0 HG2 ARG A 99 4.030 -9.955 -5.200 1.00 25.13 H new ATOM 0 HG3 ARG A 99 4.819 -8.789 -4.157 1.00 25.13 H new ATOM 0 HD2 ARG A 99 4.493 -10.840 -2.908 1.00 50.35 H new ATOM 0 HD3 ARG A 99 3.450 -9.605 -2.230 1.00 50.35 H new ATOM 0 HE ARG A 99 1.848 -10.902 -4.108 1.00 12.02 H new ATOM 0 HH11 ARG A 99 3.753 -11.897 -1.296 1.00 51.43 H new ATOM 0 HH12 ARG A 99 2.662 -13.227 -0.891 1.00 51.43 H new ATOM 0 HH21 ARG A 99 0.457 -12.611 -3.560 1.00 3.21 H new ATOM 0 HH22 ARG A 99 0.815 -13.627 -2.160 1.00 3.21 H new ATOM 1621 N ILE A 100 4.579 -8.029 -7.432 1.00 71.54 N ATOM 1622 CA ILE A 100 4.930 -8.588 -8.730 1.00 71.35 C ATOM 1623 C ILE A 100 5.036 -10.112 -8.643 1.00 71.44 C ATOM 1624 O ILE A 100 5.228 -10.670 -7.561 1.00 65.24 O ATOM 1625 CB ILE A 100 6.267 -7.999 -9.248 1.00 1.34 C ATOM 1626 CG1 ILE A 100 6.293 -6.471 -9.059 1.00 61.54 C ATOM 1627 CG2 ILE A 100 6.480 -8.352 -10.721 1.00 52.34 C ATOM 1628 CD1 ILE A 100 5.180 -5.746 -9.789 1.00 51.21 C ATOM 0 H ILE A 100 5.377 -7.695 -6.892 1.00 71.54 H new ATOM 0 HA ILE A 100 4.140 -8.322 -9.432 1.00 71.35 H new ATOM 0 HB ILE A 100 7.078 -8.437 -8.667 1.00 1.34 H new ATOM 0 HG12 ILE A 100 6.225 -6.245 -7.995 1.00 61.54 H new ATOM 0 HG13 ILE A 100 7.253 -6.088 -9.406 1.00 61.54 H new ATOM 0 HG21 ILE A 100 7.424 -7.929 -11.064 1.00 52.34 H new ATOM 0 HG22 ILE A 100 6.505 -9.436 -10.835 1.00 52.34 H new ATOM 0 HG23 ILE A 100 5.662 -7.944 -11.315 1.00 52.34 H new ATOM 0 HD11 ILE A 100 5.264 -4.674 -9.608 1.00 51.21 H new ATOM 0 HD12 ILE A 100 5.259 -5.941 -10.858 1.00 51.21 H new ATOM 0 HD13 ILE A 100 4.215 -6.100 -9.426 1.00 51.21 H new ATOM 1640 N ARG A 101 4.909 -10.777 -9.789 1.00 2.23 N ATOM 1641 CA ARG A 101 4.953 -12.237 -9.858 1.00 71.33 C ATOM 1642 C ARG A 101 6.394 -12.759 -9.813 1.00 63.55 C ATOM 1643 O ARG A 101 6.628 -13.971 -9.839 1.00 13.51 O ATOM 1644 CB ARG A 101 4.236 -12.715 -11.130 1.00 1.20 C ATOM 1645 CG ARG A 101 4.860 -12.208 -12.428 1.00 0.44 C ATOM 1646 CD ARG A 101 3.901 -12.360 -13.604 1.00 64.11 C ATOM 1647 NE ARG A 101 2.712 -11.510 -13.443 1.00 5.30 N ATOM 1648 CZ ARG A 101 1.461 -11.968 -13.332 1.00 22.33 C ATOM 1649 NH1 ARG A 101 1.214 -13.270 -13.412 1.00 23.31 N ATOM 1650 NH2 ARG A 101 0.461 -11.113 -13.144 1.00 42.31 N ATOM 0 H ARG A 101 4.773 -10.323 -10.692 1.00 2.23 H new ATOM 0 HA ARG A 101 4.439 -12.640 -8.986 1.00 71.33 H new ATOM 0 HB2 ARG A 101 4.232 -13.805 -11.143 1.00 1.20 H new ATOM 0 HB3 ARG A 101 3.196 -12.393 -11.090 1.00 1.20 H new ATOM 0 HG2 ARG A 101 5.136 -11.160 -12.315 1.00 0.44 H new ATOM 0 HG3 ARG A 101 5.778 -12.759 -12.632 1.00 0.44 H new ATOM 0 HD2 ARG A 101 4.414 -12.098 -14.529 1.00 64.11 H new ATOM 0 HD3 ARG A 101 3.595 -13.402 -13.693 1.00 64.11 H new ATOM 0 HE ARG A 101 2.852 -10.500 -13.414 1.00 5.30 H new ATOM 0 HH11 ARG A 101 1.981 -13.926 -13.559 1.00 23.31 H new ATOM 0 HH12 ARG A 101 0.258 -13.614 -13.327 1.00 23.31 H new ATOM 0 HH21 ARG A 101 0.650 -10.112 -13.085 1.00 42.31 H new ATOM 0 HH22 ARG A 101 -0.495 -11.457 -13.059 1.00 42.31 H new ATOM 1664 N LYS A 102 7.357 -11.842 -9.745 1.00 12.34 N ATOM 1665 CA LYS A 102 8.765 -12.206 -9.600 1.00 30.14 C ATOM 1666 C LYS A 102 9.246 -11.865 -8.196 1.00 71.54 C ATOM 1667 O LYS A 102 8.605 -11.086 -7.486 1.00 15.23 O ATOM 1668 CB LYS A 102 9.636 -11.486 -10.646 1.00 45.13 C ATOM 1669 CG LYS A 102 9.547 -9.962 -10.580 1.00 14.23 C ATOM 1670 CD LYS A 102 10.421 -9.279 -11.632 1.00 62.34 C ATOM 1671 CE LYS A 102 11.909 -9.345 -11.290 1.00 21.03 C ATOM 1672 NZ LYS A 102 12.234 -8.583 -10.053 1.00 14.10 N ATOM 0 H LYS A 102 7.187 -10.837 -9.788 1.00 12.34 H new ATOM 0 HA LYS A 102 8.858 -13.280 -9.764 1.00 30.14 H new ATOM 0 HB2 LYS A 102 10.675 -11.786 -10.509 1.00 45.13 H new ATOM 0 HB3 LYS A 102 9.338 -11.815 -11.642 1.00 45.13 H new ATOM 0 HG2 LYS A 102 8.510 -9.655 -10.719 1.00 14.23 H new ATOM 0 HG3 LYS A 102 9.849 -9.626 -9.588 1.00 14.23 H new ATOM 0 HD2 LYS A 102 10.253 -9.750 -12.601 1.00 62.34 H new ATOM 0 HD3 LYS A 102 10.120 -8.236 -11.728 1.00 62.34 H new ATOM 0 HE2 LYS A 102 12.205 -10.386 -11.162 1.00 21.03 H new ATOM 0 HE3 LYS A 102 12.490 -8.948 -12.123 1.00 21.03 H new ATOM 0 HZ1 LYS A 102 13.227 -8.277 -10.085 1.00 14.10 H new ATOM 0 HZ2 LYS A 102 11.617 -7.749 -9.987 1.00 14.10 H new ATOM 0 HZ3 LYS A 102 12.085 -9.190 -9.222 1.00 14.10 H new ATOM 1686 N LEU A 103 10.352 -12.472 -7.790 1.00 2.30 N ATOM 1687 CA LEU A 103 10.966 -12.180 -6.503 1.00 73.22 C ATOM 1688 C LEU A 103 12.473 -12.069 -6.701 1.00 63.14 C ATOM 1689 O LEU A 103 13.184 -13.078 -6.747 1.00 11.43 O ATOM 1690 CB LEU A 103 10.610 -13.275 -5.475 1.00 70.43 C ATOM 1691 CG LEU A 103 10.832 -12.922 -3.986 1.00 22.55 C ATOM 1692 CD1 LEU A 103 12.318 -12.858 -3.633 1.00 44.44 C ATOM 1693 CD2 LEU A 103 10.139 -11.604 -3.639 1.00 20.53 C ATOM 0 H LEU A 103 10.846 -13.176 -8.339 1.00 2.30 H new ATOM 0 HA LEU A 103 10.587 -11.236 -6.111 1.00 73.22 H new ATOM 0 HB2 LEU A 103 9.562 -13.542 -5.610 1.00 70.43 H new ATOM 0 HB3 LEU A 103 11.197 -14.164 -5.706 1.00 70.43 H new ATOM 0 HG LEU A 103 10.389 -13.720 -3.390 1.00 22.55 H new ATOM 0 HD11 LEU A 103 12.431 -12.607 -2.578 1.00 44.44 H new ATOM 0 HD12 LEU A 103 12.780 -13.826 -3.827 1.00 44.44 H new ATOM 0 HD13 LEU A 103 12.804 -12.095 -4.241 1.00 44.44 H new ATOM 0 HD21 LEU A 103 10.306 -11.371 -2.587 1.00 20.53 H new ATOM 0 HD22 LEU A 103 10.548 -10.804 -4.257 1.00 20.53 H new ATOM 0 HD23 LEU A 103 9.069 -11.696 -3.825 1.00 20.53 H new ATOM 1705 N GLU A 104 12.944 -10.840 -6.863 1.00 1.21 N ATOM 1706 CA GLU A 104 14.351 -10.586 -7.110 1.00 35.24 C ATOM 1707 C GLU A 104 15.160 -10.923 -5.857 1.00 63.02 C ATOM 1708 O GLU A 104 14.969 -10.323 -4.795 1.00 25.41 O ATOM 1709 CB GLU A 104 14.555 -9.129 -7.544 1.00 31.30 C ATOM 1710 CG GLU A 104 15.844 -8.888 -8.321 1.00 13.11 C ATOM 1711 CD GLU A 104 15.800 -7.605 -9.132 1.00 4.24 C ATOM 1712 OE1 GLU A 104 14.913 -7.485 -10.010 1.00 72.50 O ATOM 1713 OE2 GLU A 104 16.647 -6.711 -8.904 1.00 13.32 O ATOM 0 H GLU A 104 12.366 -10.001 -6.827 1.00 1.21 H new ATOM 0 HA GLU A 104 14.704 -11.222 -7.921 1.00 35.24 H new ATOM 0 HB2 GLU A 104 13.709 -8.822 -8.159 1.00 31.30 H new ATOM 0 HB3 GLU A 104 14.552 -8.493 -6.659 1.00 31.30 H new ATOM 0 HG2 GLU A 104 16.682 -8.846 -7.625 1.00 13.11 H new ATOM 0 HG3 GLU A 104 16.026 -9.730 -8.988 1.00 13.11 H new ATOM 1720 N HIS A 105 16.044 -11.901 -5.996 1.00 3.45 N ATOM 1721 CA HIS A 105 16.760 -12.477 -4.863 1.00 54.13 C ATOM 1722 C HIS A 105 17.634 -11.442 -4.159 1.00 75.45 C ATOM 1723 O HIS A 105 18.020 -10.433 -4.753 1.00 64.30 O ATOM 1724 CB HIS A 105 17.604 -13.668 -5.334 1.00 62.02 C ATOM 1725 CG HIS A 105 16.787 -14.729 -6.008 1.00 70.15 C ATOM 1726 ND1 HIS A 105 16.900 -15.033 -7.347 1.00 45.44 N ATOM 1727 CD2 HIS A 105 15.815 -15.539 -5.525 1.00 31.33 C ATOM 1728 CE1 HIS A 105 16.034 -15.979 -7.656 1.00 42.51 C ATOM 1729 NE2 HIS A 105 15.361 -16.305 -6.570 1.00 14.53 N ATOM 0 H HIS A 105 16.286 -12.318 -6.895 1.00 3.45 H new ATOM 0 HA HIS A 105 16.024 -12.822 -4.137 1.00 54.13 H new ATOM 0 HB2 HIS A 105 18.371 -13.314 -6.023 1.00 62.02 H new ATOM 0 HB3 HIS A 105 18.120 -14.103 -4.478 1.00 62.02 H new ATOM 0 HD2 HIS A 105 15.462 -15.576 -4.505 1.00 31.33 H new ATOM 0 HE1 HIS A 105 15.899 -16.414 -8.635 1.00 42.51 H new ATOM 0 HE2 HIS A 105 14.625 -17.009 -6.515 1.00 14.53 H new ATOM 1738 N HIS A 106 17.934 -11.709 -2.886 1.00 34.04 N ATOM 1739 CA HIS A 106 18.719 -10.796 -2.053 1.00 34.52 C ATOM 1740 C HIS A 106 20.026 -10.400 -2.736 1.00 2.42 C ATOM 1741 O HIS A 106 20.815 -11.258 -3.138 1.00 44.14 O ATOM 1742 CB HIS A 106 19.016 -11.428 -0.683 1.00 3.42 C ATOM 1743 CG HIS A 106 17.856 -11.392 0.270 1.00 20.14 C ATOM 1744 ND1 HIS A 106 17.828 -10.584 1.387 1.00 42.13 N ATOM 1745 CD2 HIS A 106 16.684 -12.073 0.278 1.00 71.42 C ATOM 1746 CE1 HIS A 106 16.696 -10.768 2.037 1.00 74.25 C ATOM 1747 NE2 HIS A 106 15.983 -11.663 1.385 1.00 1.04 N ATOM 0 H HIS A 106 17.641 -12.560 -2.406 1.00 34.04 H new ATOM 0 HA HIS A 106 18.123 -9.895 -1.907 1.00 34.52 H new ATOM 0 HB2 HIS A 106 19.320 -12.464 -0.831 1.00 3.42 H new ATOM 0 HB3 HIS A 106 19.861 -10.909 -0.230 1.00 3.42 H new ATOM 0 HD2 HIS A 106 16.362 -12.802 -0.451 1.00 71.42 H new ATOM 0 HE1 HIS A 106 16.403 -10.270 2.949 1.00 74.25 H new ATOM 0 HE2 HIS A 106 15.059 -11.998 1.658 1.00 1.04 H new ATOM 1756 N HIS A 107 20.243 -9.094 -2.854 1.00 74.20 N ATOM 1757 CA HIS A 107 21.453 -8.554 -3.459 1.00 51.01 C ATOM 1758 C HIS A 107 22.629 -8.696 -2.492 1.00 41.10 C ATOM 1759 O HIS A 107 23.088 -7.719 -1.895 1.00 50.01 O ATOM 1760 CB HIS A 107 21.247 -7.082 -3.849 1.00 42.45 C ATOM 1761 CG HIS A 107 22.435 -6.453 -4.524 1.00 33.44 C ATOM 1762 ND1 HIS A 107 23.384 -5.715 -3.848 1.00 65.04 N ATOM 1763 CD2 HIS A 107 22.815 -6.445 -5.823 1.00 62.42 C ATOM 1764 CE1 HIS A 107 24.289 -5.278 -4.700 1.00 1.41 C ATOM 1765 NE2 HIS A 107 23.971 -5.707 -5.907 1.00 55.51 N ATOM 0 H HIS A 107 19.586 -8.383 -2.533 1.00 74.20 H new ATOM 0 HA HIS A 107 21.676 -9.118 -4.365 1.00 51.01 H new ATOM 0 HB2 HIS A 107 20.386 -7.010 -4.513 1.00 42.45 H new ATOM 0 HB3 HIS A 107 21.007 -6.510 -2.953 1.00 42.45 H new ATOM 0 HD2 HIS A 107 22.304 -6.929 -6.642 1.00 62.42 H new ATOM 0 HE1 HIS A 107 25.147 -4.671 -4.452 1.00 1.41 H new ATOM 0 HE2 HIS A 107 24.497 -5.521 -6.761 1.00 55.51 H new ATOM 1774 N HIS A 108 23.078 -9.931 -2.312 1.00 21.30 N ATOM 1775 CA HIS A 108 24.196 -10.227 -1.426 1.00 2.54 C ATOM 1776 C HIS A 108 25.496 -9.651 -1.983 1.00 53.45 C ATOM 1777 O HIS A 108 25.888 -9.950 -3.113 1.00 10.43 O ATOM 1778 CB HIS A 108 24.325 -11.743 -1.216 1.00 55.40 C ATOM 1779 CG HIS A 108 25.559 -12.151 -0.459 1.00 13.20 C ATOM 1780 ND1 HIS A 108 25.733 -11.933 0.893 1.00 51.31 N ATOM 1781 CD2 HIS A 108 26.689 -12.769 -0.884 1.00 20.33 C ATOM 1782 CE1 HIS A 108 26.912 -12.397 1.261 1.00 14.20 C ATOM 1783 NE2 HIS A 108 27.512 -12.907 0.204 1.00 11.12 N ATOM 0 H HIS A 108 22.681 -10.750 -2.772 1.00 21.30 H new ATOM 0 HA HIS A 108 24.002 -9.758 -0.461 1.00 2.54 H new ATOM 0 HB2 HIS A 108 23.447 -12.102 -0.680 1.00 55.40 H new ATOM 0 HB3 HIS A 108 24.328 -12.236 -2.188 1.00 55.40 H new ATOM 0 HD2 HIS A 108 26.901 -13.092 -1.892 1.00 20.33 H new ATOM 0 HE1 HIS A 108 27.318 -12.364 2.261 1.00 14.20 H new ATOM 0 HE2 HIS A 108 28.438 -13.335 0.197 1.00 11.12 H new ATOM 1792 N HIS A 109 26.142 -8.814 -1.185 1.00 71.31 N ATOM 1793 CA HIS A 109 27.434 -8.233 -1.528 1.00 25.11 C ATOM 1794 C HIS A 109 28.201 -7.893 -0.260 1.00 10.21 C ATOM 1795 O HIS A 109 27.706 -7.146 0.588 1.00 41.31 O ATOM 1796 CB HIS A 109 27.269 -6.964 -2.382 1.00 53.22 C ATOM 1797 CG HIS A 109 28.513 -6.118 -2.441 1.00 1.25 C ATOM 1798 ND1 HIS A 109 29.553 -6.363 -3.311 1.00 22.20 N ATOM 1799 CD2 HIS A 109 28.892 -5.038 -1.709 1.00 43.15 C ATOM 1800 CE1 HIS A 109 30.512 -5.478 -3.110 1.00 44.45 C ATOM 1801 NE2 HIS A 109 30.138 -4.664 -2.144 1.00 61.12 N ATOM 0 H HIS A 109 25.784 -8.517 -0.277 1.00 71.31 H new ATOM 0 HA HIS A 109 27.988 -8.969 -2.110 1.00 25.11 H new ATOM 0 HB2 HIS A 109 26.985 -7.251 -3.395 1.00 53.22 H new ATOM 0 HB3 HIS A 109 26.451 -6.367 -1.978 1.00 53.22 H new ATOM 0 HD2 HIS A 109 28.318 -4.562 -0.928 1.00 43.15 H new ATOM 0 HE1 HIS A 109 31.447 -5.429 -3.648 1.00 44.45 H new ATOM 0 HE2 HIS A 109 30.685 -3.884 -1.780 1.00 61.12 H new ATOM 1810 N HIS A 110 29.401 -8.441 -0.138 1.00 70.13 N ATOM 1811 CA HIS A 110 30.291 -8.109 0.964 1.00 11.22 C ATOM 1812 C HIS A 110 31.288 -7.044 0.504 1.00 64.33 C ATOM 1813 O HIS A 110 30.994 -5.843 0.663 1.00 37.00 O ATOM 1814 CB HIS A 110 31.027 -9.363 1.455 1.00 24.35 C ATOM 1815 CG HIS A 110 31.930 -9.112 2.628 1.00 22.32 C ATOM 1816 ND1 HIS A 110 33.243 -8.722 2.497 1.00 0.14 N ATOM 1817 CD2 HIS A 110 31.699 -9.195 3.959 1.00 72.42 C ATOM 1818 CE1 HIS A 110 33.781 -8.579 3.691 1.00 15.50 C ATOM 1819 NE2 HIS A 110 32.867 -8.860 4.600 1.00 71.22 N ATOM 1820 OXT HIS A 110 32.349 -7.411 -0.045 1.00 37.00 O ATOM 0 H HIS A 110 29.783 -9.122 -0.794 1.00 70.13 H new ATOM 0 HA HIS A 110 29.706 -7.716 1.795 1.00 11.22 H new ATOM 0 HB2 HIS A 110 30.293 -10.121 1.729 1.00 24.35 H new ATOM 0 HB3 HIS A 110 31.617 -9.772 0.635 1.00 24.35 H new ATOM 0 HD2 HIS A 110 30.768 -9.473 4.430 1.00 72.42 H new ATOM 0 HE1 HIS A 110 34.800 -8.282 3.892 1.00 15.50 H new ATOM 0 HE2 HIS A 110 33.005 -8.833 5.610 1.00 71.22 H new TER 1829 HIS A 110