USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 4 LYS NZ :NH3+ 159:sc= 0.796 (180deg=0.0528) USER MOD Set 1.2: A 6 TYR OH : rot 180:sc= 0.219 USER MOD Single : A 7 TYR OH : rot 164:sc= -6.31! USER MOD Single : A 10 MET CE :methyl -132:sc= -22.3! (180deg=-26.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 44:sc= 0.824 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -135:sc= 0.629 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 98:sc= 0.343 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= -0.171 (180deg=-0.878) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-8.4!) USER MOD Single : A 37 SER OG : rot 70:sc= -4.44! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -58:sc= 1.25 USER MOD Single : A 60 GLN : amide:sc= -0.889 K(o=-0.89,f=0) USER MOD Single : A 65 TYR OH : rot -91:sc= -4.84! USER MOD Single : A 67 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.26) USER MOD Single : A 68 MET CE :methyl -129:sc= -14.5! (180deg=-19.9!) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 3 3.047 0.279 -9.277 1.00 61.11 N ATOM 17 CA LEU A 3 3.783 0.898 -10.418 1.00 63.44 C ATOM 18 C LEU A 3 3.392 2.351 -10.585 1.00 43.44 C ATOM 19 O LEU A 3 2.251 2.671 -10.854 1.00 3.33 O ATOM 20 CB LEU A 3 3.328 0.149 -11.670 1.00 74.30 C ATOM 21 CG LEU A 3 4.209 0.501 -12.870 1.00 0.43 C ATOM 22 CD1 LEU A 3 4.016 1.967 -13.217 1.00 72.23 C ATOM 23 CD2 LEU A 3 5.674 0.276 -12.549 1.00 64.04 C ATOM 0 HA LEU A 3 4.858 0.842 -10.249 1.00 63.44 H new ATOM 0 HB2 LEU A 3 3.366 -0.925 -11.489 1.00 74.30 H new ATOM 0 HB3 LEU A 3 2.290 0.399 -11.891 1.00 74.30 H new ATOM 0 HG LEU A 3 3.923 -0.138 -13.706 1.00 0.43 H new ATOM 0 HD11 LEU A 3 4.642 2.224 -14.072 1.00 72.23 H new ATOM 0 HD12 LEU A 3 2.970 2.147 -13.465 1.00 72.23 H new ATOM 0 HD13 LEU A 3 4.298 2.583 -12.363 1.00 72.23 H new ATOM 0 HD21 LEU A 3 6.280 0.533 -13.417 1.00 64.04 H new ATOM 0 HD22 LEU A 3 5.962 0.904 -11.706 1.00 64.04 H new ATOM 0 HD23 LEU A 3 5.834 -0.771 -12.292 1.00 64.04 H new ATOM 35 N LYS A 4 4.340 3.225 -10.537 1.00 32.30 N ATOM 36 CA LYS A 4 4.018 4.631 -10.813 1.00 43.34 C ATOM 37 C LYS A 4 3.825 4.715 -12.298 1.00 62.33 C ATOM 38 O LYS A 4 4.756 4.595 -13.035 1.00 54.43 O ATOM 39 CB LYS A 4 5.227 5.442 -10.391 1.00 74.44 C ATOM 40 CG LYS A 4 4.778 6.555 -9.461 1.00 5.13 C ATOM 41 CD LYS A 4 5.469 7.865 -9.850 1.00 23.02 C ATOM 42 CE LYS A 4 6.442 8.277 -8.739 1.00 42.32 C ATOM 43 NZ LYS A 4 7.542 7.270 -8.785 1.00 73.14 N ATOM 0 H LYS A 4 5.317 3.027 -10.320 1.00 32.30 H new ATOM 0 HA LYS A 4 3.133 4.996 -10.291 1.00 43.34 H new ATOM 0 HB2 LYS A 4 5.953 4.802 -9.889 1.00 74.44 H new ATOM 0 HB3 LYS A 4 5.723 5.861 -11.266 1.00 74.44 H new ATOM 0 HG2 LYS A 4 3.696 6.673 -9.516 1.00 5.13 H new ATOM 0 HG3 LYS A 4 5.018 6.299 -8.429 1.00 5.13 H new ATOM 0 HD2 LYS A 4 6.005 7.741 -10.791 1.00 23.02 H new ATOM 0 HD3 LYS A 4 4.727 8.648 -10.007 1.00 23.02 H new ATOM 0 HE2 LYS A 4 6.824 9.284 -8.904 1.00 42.32 H new ATOM 0 HE3 LYS A 4 5.950 8.278 -7.766 1.00 42.32 H new ATOM 0 HZ1 LYS A 4 8.390 7.662 -8.329 1.00 73.14 H new ATOM 0 HZ2 LYS A 4 7.245 6.409 -8.283 1.00 73.14 H new ATOM 0 HZ3 LYS A 4 7.758 7.037 -9.775 1.00 73.14 H new ATOM 57 N ASP A 5 2.633 4.861 -12.749 1.00 73.52 N ATOM 58 CA ASP A 5 2.427 4.862 -14.215 1.00 75.53 C ATOM 59 C ASP A 5 3.144 6.050 -14.853 1.00 41.00 C ATOM 60 O ASP A 5 2.552 6.929 -15.426 1.00 5.40 O ATOM 61 CB ASP A 5 0.911 4.938 -14.394 1.00 32.50 C ATOM 62 CG ASP A 5 0.392 6.277 -13.869 1.00 54.23 C ATOM 63 OD1 ASP A 5 1.209 7.117 -13.528 1.00 44.20 O ATOM 64 OD2 ASP A 5 -0.816 6.441 -13.818 1.00 63.53 O ATOM 0 H ASP A 5 1.794 4.979 -12.181 1.00 73.52 H new ATOM 0 HA ASP A 5 2.837 3.977 -14.702 1.00 75.53 H new ATOM 0 HB2 ASP A 5 0.654 4.826 -15.447 1.00 32.50 H new ATOM 0 HB3 ASP A 5 0.431 4.118 -13.860 1.00 32.50 H new ATOM 69 N TYR A 6 4.446 6.059 -14.762 1.00 5.10 N ATOM 70 CA TYR A 6 5.249 7.147 -15.368 1.00 42.24 C ATOM 71 C TYR A 6 4.731 7.472 -16.686 1.00 22.32 C ATOM 72 O TYR A 6 4.358 8.579 -17.001 1.00 45.44 O ATOM 73 CB TYR A 6 6.583 6.545 -15.606 1.00 62.35 C ATOM 74 CG TYR A 6 7.252 6.415 -14.326 1.00 4.43 C ATOM 75 CD1 TYR A 6 7.166 7.384 -13.342 1.00 43.51 C ATOM 76 CD2 TYR A 6 7.934 5.285 -14.132 1.00 52.14 C ATOM 77 CE1 TYR A 6 7.805 7.180 -12.148 1.00 33.11 C ATOM 78 CE2 TYR A 6 8.567 5.036 -12.959 1.00 61.35 C ATOM 79 CZ TYR A 6 8.521 5.989 -11.932 1.00 15.42 C ATOM 80 OH TYR A 6 9.155 5.758 -10.729 1.00 1.40 O ATOM 0 H TYR A 6 4.992 5.343 -14.283 1.00 5.10 H new ATOM 0 HA TYR A 6 5.248 8.032 -14.732 1.00 42.24 H new ATOM 0 HB2 TYR A 6 6.481 5.570 -16.083 1.00 62.35 H new ATOM 0 HB3 TYR A 6 7.168 7.170 -16.280 1.00 62.35 H new ATOM 0 HD1 TYR A 6 6.602 8.289 -13.513 1.00 43.51 H new ATOM 0 HD2 TYR A 6 7.983 4.554 -14.925 1.00 52.14 H new ATOM 0 HE1 TYR A 6 7.759 7.932 -11.374 1.00 33.11 H new ATOM 0 HE2 TYR A 6 9.103 4.109 -12.817 1.00 61.35 H new ATOM 0 HH TYR A 6 9.599 4.885 -10.756 1.00 1.40 H new ATOM 90 N TYR A 7 4.751 6.488 -17.487 1.00 21.13 N ATOM 91 CA TYR A 7 4.310 6.672 -18.826 1.00 35.04 C ATOM 92 C TYR A 7 3.063 7.459 -18.823 1.00 74.24 C ATOM 93 O TYR A 7 2.783 8.271 -19.676 1.00 5.33 O ATOM 94 CB TYR A 7 4.081 5.276 -19.341 1.00 22.11 C ATOM 95 CG TYR A 7 5.399 4.624 -19.521 1.00 51.12 C ATOM 96 CD1 TYR A 7 6.508 5.394 -19.849 1.00 75.51 C ATOM 97 CD2 TYR A 7 5.497 3.255 -19.413 1.00 61.04 C ATOM 98 CE1 TYR A 7 7.724 4.797 -20.085 1.00 1.22 C ATOM 99 CE2 TYR A 7 6.727 2.637 -19.633 1.00 54.43 C ATOM 100 CZ TYR A 7 7.845 3.407 -19.981 1.00 75.03 C ATOM 101 OH TYR A 7 9.055 2.796 -20.223 1.00 71.11 O ATOM 0 H TYR A 7 5.064 5.546 -17.253 1.00 21.13 H new ATOM 0 HA TYR A 7 5.022 7.213 -19.449 1.00 35.04 H new ATOM 0 HB2 TYR A 7 3.469 4.708 -18.640 1.00 22.11 H new ATOM 0 HB3 TYR A 7 3.539 5.304 -20.286 1.00 22.11 H new ATOM 0 HD1 TYR A 7 6.414 6.468 -19.919 1.00 75.51 H new ATOM 0 HD2 TYR A 7 4.628 2.665 -19.160 1.00 61.04 H new ATOM 0 HE1 TYR A 7 8.581 5.398 -20.349 1.00 1.22 H new ATOM 0 HE2 TYR A 7 6.818 1.565 -19.535 1.00 54.43 H new ATOM 0 HH TYR A 7 9.037 1.882 -19.869 1.00 71.11 H new ATOM 111 N ALA A 8 2.344 7.239 -17.829 1.00 13.23 N ATOM 112 CA ALA A 8 1.121 7.971 -17.683 1.00 61.32 C ATOM 113 C ALA A 8 1.486 9.346 -17.179 1.00 31.33 C ATOM 114 O ALA A 8 1.154 10.366 -17.751 1.00 45.32 O ATOM 115 CB ALA A 8 0.431 7.192 -16.596 1.00 63.22 C ATOM 0 H ALA A 8 2.549 6.568 -17.089 1.00 13.23 H new ATOM 0 HA ALA A 8 0.519 8.082 -18.585 1.00 61.32 H new ATOM 0 HB1 ALA A 8 -0.535 7.648 -16.378 1.00 63.22 H new ATOM 0 HB2 ALA A 8 0.281 6.164 -16.925 1.00 63.22 H new ATOM 0 HB3 ALA A 8 1.047 7.199 -15.697 1.00 63.22 H new ATOM 121 N ILE A 9 2.222 9.347 -16.110 1.00 13.13 N ATOM 122 CA ILE A 9 2.702 10.604 -15.520 1.00 22.44 C ATOM 123 C ILE A 9 3.173 11.506 -16.635 1.00 74.14 C ATOM 124 O ILE A 9 2.802 12.656 -16.764 1.00 73.34 O ATOM 125 CB ILE A 9 3.908 10.163 -14.704 1.00 74.22 C ATOM 126 CG1 ILE A 9 3.472 9.857 -13.300 1.00 22.24 C ATOM 127 CG2 ILE A 9 4.966 11.236 -14.684 1.00 41.34 C ATOM 128 CD1 ILE A 9 3.935 8.453 -13.016 1.00 52.04 C ATOM 0 H ILE A 9 2.514 8.505 -15.614 1.00 13.13 H new ATOM 0 HA ILE A 9 1.950 11.134 -14.936 1.00 22.44 H new ATOM 0 HB ILE A 9 4.334 9.271 -15.164 1.00 74.22 H new ATOM 0 HG12 ILE A 9 3.910 10.562 -12.593 1.00 22.24 H new ATOM 0 HG13 ILE A 9 2.389 9.938 -13.202 1.00 22.24 H new ATOM 0 HG21 ILE A 9 5.818 10.896 -14.094 1.00 41.34 H new ATOM 0 HG22 ILE A 9 5.291 11.446 -15.703 1.00 41.34 H new ATOM 0 HG23 ILE A 9 4.556 12.143 -14.240 1.00 41.34 H new ATOM 0 HD11 ILE A 9 3.645 8.172 -12.003 1.00 52.04 H new ATOM 0 HD12 ILE A 9 3.476 7.767 -13.728 1.00 52.04 H new ATOM 0 HD13 ILE A 9 5.020 8.401 -13.110 1.00 52.04 H new ATOM 140 N MET A 10 4.048 10.952 -17.408 1.00 0.23 N ATOM 141 CA MET A 10 4.658 11.684 -18.511 1.00 52.43 C ATOM 142 C MET A 10 3.763 11.691 -19.744 1.00 33.01 C ATOM 143 O MET A 10 4.164 12.056 -20.827 1.00 52.42 O ATOM 144 CB MET A 10 5.973 10.985 -18.684 1.00 4.04 C ATOM 145 CG MET A 10 5.816 9.605 -19.292 1.00 30.35 C ATOM 146 SD MET A 10 7.249 9.280 -20.336 1.00 43.32 S ATOM 147 CE MET A 10 8.535 10.133 -19.371 1.00 11.25 C ATOM 0 H MET A 10 4.370 9.989 -17.309 1.00 0.23 H new ATOM 0 HA MET A 10 4.800 12.749 -18.326 1.00 52.43 H new ATOM 0 HB2 MET A 10 6.621 11.588 -19.320 1.00 4.04 H new ATOM 0 HB3 MET A 10 6.466 10.899 -17.716 1.00 4.04 H new ATOM 0 HG2 MET A 10 5.738 8.851 -18.508 1.00 30.35 H new ATOM 0 HG3 MET A 10 4.899 9.551 -19.878 1.00 30.35 H new ATOM 0 HE1 MET A 10 9.127 10.766 -20.033 1.00 11.25 H new ATOM 0 HE2 MET A 10 8.066 10.749 -18.604 1.00 11.25 H new ATOM 0 HE3 MET A 10 9.184 9.396 -18.898 1.00 11.25 H new ATOM 157 N GLY A 11 2.535 11.314 -19.561 1.00 22.41 N ATOM 158 CA GLY A 11 1.559 11.321 -20.696 1.00 12.12 C ATOM 159 C GLY A 11 2.200 10.605 -21.861 1.00 74.15 C ATOM 160 O GLY A 11 2.687 11.205 -22.798 1.00 52.10 O ATOM 0 H GLY A 11 2.155 10.997 -18.669 1.00 22.41 H new ATOM 0 HA2 GLY A 11 0.633 10.825 -20.406 1.00 12.12 H new ATOM 0 HA3 GLY A 11 1.301 12.344 -20.971 1.00 12.12 H new ATOM 164 N VAL A 12 2.274 9.324 -21.758 1.00 54.34 N ATOM 165 CA VAL A 12 2.955 8.535 -22.779 1.00 2.04 C ATOM 166 C VAL A 12 2.285 7.186 -22.952 1.00 4.23 C ATOM 167 O VAL A 12 1.126 6.978 -22.652 1.00 74.32 O ATOM 168 CB VAL A 12 4.320 8.389 -22.124 1.00 54.55 C ATOM 169 CG1 VAL A 12 4.505 7.090 -21.421 1.00 20.32 C ATOM 170 CG2 VAL A 12 5.426 8.493 -23.056 1.00 73.20 C ATOM 0 H VAL A 12 1.880 8.783 -20.989 1.00 54.34 H new ATOM 0 HA VAL A 12 2.966 8.972 -23.777 1.00 2.04 H new ATOM 0 HB VAL A 12 4.332 9.218 -21.417 1.00 54.55 H new ATOM 0 HG11 VAL A 12 5.500 7.055 -20.978 1.00 20.32 H new ATOM 0 HG12 VAL A 12 3.755 6.991 -20.637 1.00 20.32 H new ATOM 0 HG13 VAL A 12 4.396 6.272 -22.133 1.00 20.32 H new ATOM 0 HG21 VAL A 12 6.367 8.379 -22.518 1.00 73.20 H new ATOM 0 HG22 VAL A 12 5.342 7.710 -23.809 1.00 73.20 H new ATOM 0 HG23 VAL A 12 5.402 9.468 -23.542 1.00 73.20 H new ATOM 180 N LYS A 13 3.058 6.284 -23.418 1.00 24.13 N ATOM 181 CA LYS A 13 2.601 4.898 -23.634 1.00 13.13 C ATOM 182 C LYS A 13 3.227 3.995 -22.571 1.00 51.21 C ATOM 183 O LYS A 13 4.315 4.263 -22.102 1.00 21.23 O ATOM 184 CB LYS A 13 3.167 4.604 -24.995 1.00 72.35 C ATOM 185 CG LYS A 13 2.141 4.984 -26.057 1.00 34.33 C ATOM 186 CD LYS A 13 2.429 6.406 -26.519 1.00 1.14 C ATOM 187 CE LYS A 13 1.506 7.387 -25.798 1.00 14.14 C ATOM 188 NZ LYS A 13 0.883 8.196 -26.882 1.00 53.45 N ATOM 0 H LYS A 13 4.032 6.448 -23.672 1.00 24.13 H new ATOM 0 HA LYS A 13 1.523 4.747 -23.571 1.00 13.13 H new ATOM 0 HB2 LYS A 13 4.090 5.164 -25.147 1.00 72.35 H new ATOM 0 HB3 LYS A 13 3.418 3.547 -25.077 1.00 72.35 H new ATOM 0 HG2 LYS A 13 2.194 4.294 -26.899 1.00 34.33 H new ATOM 0 HG3 LYS A 13 1.132 4.915 -25.651 1.00 34.33 H new ATOM 0 HD2 LYS A 13 3.470 6.659 -26.318 1.00 1.14 H new ATOM 0 HD3 LYS A 13 2.285 6.483 -27.597 1.00 1.14 H new ATOM 0 HE2 LYS A 13 0.751 6.862 -25.213 1.00 14.14 H new ATOM 0 HE3 LYS A 13 2.064 8.018 -25.105 1.00 14.14 H new ATOM 0 HZ1 LYS A 13 0.234 8.894 -26.465 1.00 53.45 H new ATOM 0 HZ2 LYS A 13 1.626 8.690 -27.417 1.00 53.45 H new ATOM 0 HZ3 LYS A 13 0.353 7.570 -27.522 1.00 53.45 H new ATOM 202 N PRO A 14 2.523 2.963 -22.212 1.00 62.42 N ATOM 203 CA PRO A 14 3.036 2.037 -21.182 1.00 12.24 C ATOM 204 C PRO A 14 4.110 1.103 -21.751 1.00 54.32 C ATOM 205 O PRO A 14 4.712 0.330 -21.032 1.00 12.13 O ATOM 206 CB PRO A 14 1.808 1.253 -20.763 1.00 72.15 C ATOM 207 CG PRO A 14 0.874 1.316 -21.933 1.00 13.40 C ATOM 208 CD PRO A 14 1.205 2.565 -22.714 1.00 33.41 C ATOM 0 HA PRO A 14 3.514 2.560 -20.353 1.00 12.24 H new ATOM 0 HB2 PRO A 14 2.065 0.222 -20.521 1.00 72.15 H new ATOM 0 HB3 PRO A 14 1.351 1.685 -19.873 1.00 72.15 H new ATOM 0 HG2 PRO A 14 0.985 0.431 -22.560 1.00 13.40 H new ATOM 0 HG3 PRO A 14 -0.162 1.339 -21.595 1.00 13.40 H new ATOM 0 HD2 PRO A 14 1.229 2.370 -23.786 1.00 33.41 H new ATOM 0 HD3 PRO A 14 0.463 3.346 -22.549 1.00 33.41 H new ATOM 216 N THR A 15 4.351 1.158 -23.030 1.00 2.33 N ATOM 217 CA THR A 15 5.385 0.258 -23.631 1.00 24.45 C ATOM 218 C THR A 15 6.085 0.954 -24.808 1.00 45.21 C ATOM 219 O THR A 15 6.615 0.315 -25.695 1.00 20.15 O ATOM 220 CB THR A 15 4.636 -1.009 -24.107 1.00 74.44 C ATOM 221 OG1 THR A 15 5.014 -1.310 -25.442 1.00 52.52 O ATOM 222 CG2 THR A 15 3.116 -0.808 -24.052 1.00 51.04 C ATOM 0 H THR A 15 3.882 1.782 -23.686 1.00 2.33 H new ATOM 0 HA THR A 15 6.159 0.005 -22.907 1.00 24.45 H new ATOM 0 HB THR A 15 4.904 -1.831 -23.443 1.00 74.44 H new ATOM 0 HG1 THR A 15 5.984 -1.211 -25.537 1.00 52.52 H new ATOM 0 HG21 THR A 15 2.616 -1.715 -24.392 1.00 51.04 H new ATOM 0 HG22 THR A 15 2.815 -0.590 -23.027 1.00 51.04 H new ATOM 0 HG23 THR A 15 2.835 0.025 -24.697 1.00 51.04 H new ATOM 230 N ASP A 16 6.102 2.259 -24.819 1.00 53.23 N ATOM 231 CA ASP A 16 6.775 2.985 -25.936 1.00 14.40 C ATOM 232 C ASP A 16 8.296 3.017 -25.725 1.00 43.22 C ATOM 233 O ASP A 16 8.845 2.225 -24.985 1.00 13.23 O ATOM 234 CB ASP A 16 6.189 4.384 -25.900 1.00 10.24 C ATOM 235 CG ASP A 16 5.131 4.504 -27.002 1.00 41.41 C ATOM 236 OD1 ASP A 16 4.609 3.478 -27.405 1.00 11.24 O ATOM 237 OD2 ASP A 16 4.862 5.616 -27.421 1.00 13.25 O ATOM 0 H ASP A 16 5.680 2.853 -24.105 1.00 53.23 H new ATOM 0 HA ASP A 16 6.613 2.501 -26.899 1.00 14.40 H new ATOM 0 HB2 ASP A 16 5.743 4.581 -24.925 1.00 10.24 H new ATOM 0 HB3 ASP A 16 6.974 5.126 -26.048 1.00 10.24 H new ATOM 242 N ASP A 17 8.979 3.929 -26.369 1.00 61.42 N ATOM 243 CA ASP A 17 10.463 4.018 -26.209 1.00 4.00 C ATOM 244 C ASP A 17 10.827 5.378 -25.616 1.00 51.11 C ATOM 245 O ASP A 17 9.958 6.152 -25.265 1.00 4.35 O ATOM 246 CB ASP A 17 11.026 3.879 -27.623 1.00 2.13 C ATOM 247 CG ASP A 17 12.476 3.396 -27.552 1.00 22.22 C ATOM 248 OD1 ASP A 17 13.160 3.775 -26.616 1.00 41.32 O ATOM 249 OD2 ASP A 17 12.877 2.657 -28.436 1.00 33.14 O ATOM 0 H ASP A 17 8.572 4.618 -27.001 1.00 61.42 H new ATOM 0 HA ASP A 17 10.862 3.253 -25.543 1.00 4.00 H new ATOM 0 HB2 ASP A 17 10.425 3.174 -28.197 1.00 2.13 H new ATOM 0 HB3 ASP A 17 10.976 4.837 -28.141 1.00 2.13 H new ATOM 254 N LEU A 18 12.090 5.693 -25.483 1.00 40.43 N ATOM 255 CA LEU A 18 12.430 7.008 -24.898 1.00 51.31 C ATOM 256 C LEU A 18 11.953 8.136 -25.811 1.00 34.15 C ATOM 257 O LEU A 18 11.622 9.212 -25.352 1.00 20.34 O ATOM 258 CB LEU A 18 13.957 7.039 -24.753 1.00 44.41 C ATOM 259 CG LEU A 18 14.403 7.369 -23.308 1.00 3.53 C ATOM 260 CD1 LEU A 18 15.408 8.525 -23.342 1.00 62.30 C ATOM 261 CD2 LEU A 18 13.240 7.817 -22.434 1.00 13.12 C ATOM 0 H LEU A 18 12.880 5.106 -25.750 1.00 40.43 H new ATOM 0 HA LEU A 18 11.943 7.148 -23.933 1.00 51.31 H new ATOM 0 HB2 LEU A 18 14.367 6.073 -25.046 1.00 44.41 H new ATOM 0 HB3 LEU A 18 14.370 7.781 -25.437 1.00 44.41 H new ATOM 0 HG LEU A 18 14.835 6.459 -22.892 1.00 3.53 H new ATOM 0 HD11 LEU A 18 15.725 8.761 -22.326 1.00 62.30 H new ATOM 0 HD12 LEU A 18 16.276 8.236 -23.935 1.00 62.30 H new ATOM 0 HD13 LEU A 18 14.939 9.402 -23.789 1.00 62.30 H new ATOM 0 HD21 LEU A 18 13.603 8.037 -21.430 1.00 13.12 H new ATOM 0 HD22 LEU A 18 12.788 8.712 -22.861 1.00 13.12 H new ATOM 0 HD23 LEU A 18 12.495 7.023 -22.384 1.00 13.12 H new ATOM 273 N LYS A 19 11.893 7.908 -27.095 1.00 71.13 N ATOM 274 CA LYS A 19 11.410 8.989 -27.990 1.00 73.34 C ATOM 275 C LYS A 19 10.016 9.372 -27.523 1.00 11.31 C ATOM 276 O LYS A 19 9.697 10.533 -27.334 1.00 62.01 O ATOM 277 CB LYS A 19 11.370 8.367 -29.384 1.00 74.34 C ATOM 278 CG LYS A 19 12.774 7.906 -29.775 1.00 22.23 C ATOM 279 CD LYS A 19 12.819 6.377 -29.822 1.00 73.11 C ATOM 280 CE LYS A 19 12.623 5.900 -31.264 1.00 74.25 C ATOM 281 NZ LYS A 19 11.300 5.214 -31.267 1.00 5.31 N ATOM 0 H LYS A 19 12.153 7.035 -27.554 1.00 71.13 H new ATOM 0 HA LYS A 19 12.035 9.882 -27.987 1.00 73.34 H new ATOM 0 HB2 LYS A 19 10.681 7.522 -29.398 1.00 74.34 H new ATOM 0 HB3 LYS A 19 10.999 9.093 -30.108 1.00 74.34 H new ATOM 0 HG2 LYS A 19 13.045 8.318 -30.747 1.00 22.23 H new ATOM 0 HG3 LYS A 19 13.503 8.279 -29.056 1.00 22.23 H new ATOM 0 HD2 LYS A 19 13.774 6.019 -29.437 1.00 73.11 H new ATOM 0 HD3 LYS A 19 12.041 5.961 -29.182 1.00 73.11 H new ATOM 0 HE2 LYS A 19 12.635 6.737 -31.962 1.00 74.25 H new ATOM 0 HE3 LYS A 19 13.420 5.221 -31.567 1.00 74.25 H new ATOM 0 HZ1 LYS A 19 11.095 4.859 -32.223 1.00 5.31 H new ATOM 0 HZ2 LYS A 19 11.321 4.417 -30.599 1.00 5.31 H new ATOM 0 HZ3 LYS A 19 10.560 5.886 -30.981 1.00 5.31 H new ATOM 295 N THR A 20 9.201 8.388 -27.271 1.00 31.12 N ATOM 296 CA THR A 20 7.845 8.676 -26.749 1.00 23.24 C ATOM 297 C THR A 20 7.987 9.245 -25.368 1.00 51.22 C ATOM 298 O THR A 20 7.464 10.287 -25.042 1.00 31.04 O ATOM 299 CB THR A 20 7.142 7.331 -26.593 1.00 0.14 C ATOM 300 OG1 THR A 20 6.801 6.804 -27.865 1.00 44.11 O ATOM 301 CG2 THR A 20 5.885 7.511 -25.734 1.00 11.24 C ATOM 0 H THR A 20 9.417 7.400 -27.405 1.00 31.12 H new ATOM 0 HA THR A 20 7.307 9.359 -27.406 1.00 23.24 H new ATOM 0 HB THR A 20 7.814 6.628 -26.101 1.00 0.14 H new ATOM 0 HG1 THR A 20 5.881 6.468 -27.844 1.00 44.11 H new ATOM 0 HG21 THR A 20 5.381 6.551 -25.621 1.00 11.24 H new ATOM 0 HG22 THR A 20 6.167 7.891 -24.752 1.00 11.24 H new ATOM 0 HG23 THR A 20 5.212 8.219 -26.217 1.00 11.24 H new ATOM 309 N ILE A 21 8.644 8.509 -24.530 1.00 5.54 N ATOM 310 CA ILE A 21 8.764 8.943 -23.151 1.00 44.53 C ATOM 311 C ILE A 21 9.244 10.381 -23.056 1.00 1.13 C ATOM 312 O ILE A 21 8.559 11.199 -22.492 1.00 11.22 O ATOM 313 CB ILE A 21 9.747 8.011 -22.542 1.00 35.03 C ATOM 314 CG1 ILE A 21 9.135 6.623 -22.476 1.00 32.10 C ATOM 315 CG2 ILE A 21 10.057 8.503 -21.138 1.00 55.31 C ATOM 316 CD1 ILE A 21 10.208 5.672 -22.002 1.00 43.43 C ATOM 0 H ILE A 21 9.100 7.625 -24.755 1.00 5.54 H new ATOM 0 HA ILE A 21 7.803 8.922 -22.638 1.00 44.53 H new ATOM 0 HB ILE A 21 10.661 7.972 -23.134 1.00 35.03 H new ATOM 0 HG12 ILE A 21 8.285 6.612 -21.794 1.00 32.10 H new ATOM 0 HG13 ILE A 21 8.762 6.322 -23.455 1.00 32.10 H new ATOM 0 HG21 ILE A 21 10.778 7.834 -20.669 1.00 55.31 H new ATOM 0 HG22 ILE A 21 10.475 9.508 -21.189 1.00 55.31 H new ATOM 0 HG23 ILE A 21 9.141 8.520 -20.548 1.00 55.31 H new ATOM 0 HD11 ILE A 21 9.800 4.663 -21.943 1.00 43.43 H new ATOM 0 HD12 ILE A 21 11.042 5.686 -22.703 1.00 43.43 H new ATOM 0 HD13 ILE A 21 10.557 5.980 -21.016 1.00 43.43 H new ATOM 328 N LYS A 22 10.392 10.739 -23.580 1.00 43.24 N ATOM 329 CA LYS A 22 10.745 12.168 -23.420 1.00 43.22 C ATOM 330 C LYS A 22 9.740 12.986 -24.142 1.00 50.11 C ATOM 331 O LYS A 22 9.315 13.989 -23.652 1.00 23.01 O ATOM 332 CB LYS A 22 12.113 12.475 -23.965 1.00 4.14 C ATOM 333 CG LYS A 22 12.635 13.599 -23.073 1.00 73.44 C ATOM 334 CD LYS A 22 14.048 14.001 -23.446 1.00 5.31 C ATOM 335 CE LYS A 22 14.860 14.273 -22.183 1.00 71.45 C ATOM 336 NZ LYS A 22 15.112 15.742 -22.182 1.00 3.51 N ATOM 0 H LYS A 22 11.055 10.144 -24.078 1.00 43.24 H new ATOM 0 HA LYS A 22 10.752 12.401 -22.355 1.00 43.22 H new ATOM 0 HB2 LYS A 22 12.763 11.601 -23.923 1.00 4.14 H new ATOM 0 HB3 LYS A 22 12.064 12.786 -25.008 1.00 4.14 H new ATOM 0 HG2 LYS A 22 11.977 14.464 -23.155 1.00 73.44 H new ATOM 0 HG3 LYS A 22 12.611 13.278 -22.032 1.00 73.44 H new ATOM 0 HD2 LYS A 22 14.519 13.209 -24.028 1.00 5.31 H new ATOM 0 HD3 LYS A 22 14.028 14.891 -24.075 1.00 5.31 H new ATOM 0 HE2 LYS A 22 14.313 13.968 -21.291 1.00 71.45 H new ATOM 0 HE3 LYS A 22 15.796 13.714 -22.190 1.00 71.45 H new ATOM 0 HZ1 LYS A 22 15.666 15.999 -21.340 1.00 3.51 H new ATOM 0 HZ2 LYS A 22 15.641 16.004 -23.038 1.00 3.51 H new ATOM 0 HZ3 LYS A 22 14.205 16.250 -22.167 1.00 3.51 H new ATOM 350 N THR A 23 9.287 12.566 -25.283 1.00 72.10 N ATOM 351 CA THR A 23 8.242 13.368 -25.916 1.00 70.32 C ATOM 352 C THR A 23 7.216 13.563 -24.815 1.00 63.45 C ATOM 353 O THR A 23 6.947 14.648 -24.390 1.00 41.11 O ATOM 354 CB THR A 23 7.698 12.513 -27.055 1.00 54.33 C ATOM 355 OG1 THR A 23 8.373 12.844 -28.261 1.00 61.44 O ATOM 356 CG2 THR A 23 6.214 12.792 -27.205 1.00 3.44 C ATOM 0 H THR A 23 9.589 11.730 -25.783 1.00 72.10 H new ATOM 0 HA THR A 23 8.554 14.331 -26.320 1.00 70.32 H new ATOM 0 HB THR A 23 7.856 11.456 -26.838 1.00 54.33 H new ATOM 0 HG1 THR A 23 9.089 12.195 -28.424 1.00 61.44 H new ATOM 0 HG21 THR A 23 5.810 12.187 -28.017 1.00 3.44 H new ATOM 0 HG22 THR A 23 5.701 12.542 -26.276 1.00 3.44 H new ATOM 0 HG23 THR A 23 6.063 13.848 -27.430 1.00 3.44 H new ATOM 364 N ALA A 24 6.743 12.483 -24.277 1.00 43.54 N ATOM 365 CA ALA A 24 5.802 12.572 -23.144 1.00 30.41 C ATOM 366 C ALA A 24 6.362 13.469 -22.042 1.00 3.14 C ATOM 367 O ALA A 24 5.766 14.454 -21.699 1.00 10.34 O ATOM 368 CB ALA A 24 5.740 11.155 -22.612 1.00 75.42 C ATOM 0 H ALA A 24 6.971 11.535 -24.578 1.00 43.54 H new ATOM 0 HA ALA A 24 4.838 12.980 -23.449 1.00 30.41 H new ATOM 0 HB1 ALA A 24 5.061 11.115 -21.761 1.00 75.42 H new ATOM 0 HB2 ALA A 24 5.380 10.488 -23.395 1.00 75.42 H new ATOM 0 HB3 ALA A 24 6.735 10.841 -22.297 1.00 75.42 H new ATOM 374 N TYR A 25 7.500 13.096 -21.486 1.00 31.24 N ATOM 375 CA TYR A 25 8.131 13.858 -20.351 1.00 33.33 C ATOM 376 C TYR A 25 8.637 15.240 -20.731 1.00 72.13 C ATOM 377 O TYR A 25 8.803 16.086 -19.891 1.00 42.14 O ATOM 378 CB TYR A 25 9.332 12.993 -19.904 1.00 63.01 C ATOM 379 CG TYR A 25 10.481 13.871 -19.431 1.00 1.11 C ATOM 380 CD1 TYR A 25 11.306 14.501 -20.363 1.00 23.44 C ATOM 381 CD2 TYR A 25 10.676 14.092 -18.066 1.00 23.05 C ATOM 382 CE1 TYR A 25 12.335 15.347 -19.915 1.00 12.11 C ATOM 383 CE2 TYR A 25 11.689 14.939 -17.616 1.00 55.42 C ATOM 384 CZ TYR A 25 12.522 15.569 -18.543 1.00 13.30 C ATOM 385 OH TYR A 25 13.529 16.408 -18.111 1.00 65.40 O ATOM 0 H TYR A 25 8.029 12.275 -21.780 1.00 31.24 H new ATOM 0 HA TYR A 25 7.383 14.027 -19.577 1.00 33.33 H new ATOM 0 HB2 TYR A 25 9.025 12.323 -19.101 1.00 63.01 H new ATOM 0 HB3 TYR A 25 9.664 12.367 -20.732 1.00 63.01 H new ATOM 0 HD1 TYR A 25 11.155 14.340 -21.420 1.00 23.44 H new ATOM 0 HD2 TYR A 25 10.034 13.601 -17.349 1.00 23.05 H new ATOM 0 HE1 TYR A 25 12.985 15.828 -20.631 1.00 12.11 H new ATOM 0 HE2 TYR A 25 11.828 15.106 -16.558 1.00 55.42 H new ATOM 0 HH TYR A 25 13.520 16.452 -17.132 1.00 65.40 H new ATOM 395 N ARG A 26 8.944 15.461 -21.945 1.00 54.15 N ATOM 396 CA ARG A 26 9.502 16.788 -22.307 1.00 53.44 C ATOM 397 C ARG A 26 8.375 17.787 -22.415 1.00 52.33 C ATOM 398 O ARG A 26 8.376 18.809 -21.761 1.00 53.44 O ATOM 399 CB ARG A 26 10.235 16.579 -23.619 1.00 44.51 C ATOM 400 CG ARG A 26 11.469 17.470 -23.635 1.00 4.13 C ATOM 401 CD ARG A 26 11.152 18.784 -24.353 1.00 63.14 C ATOM 402 NE ARG A 26 12.059 19.787 -23.732 1.00 61.43 N ATOM 403 CZ ARG A 26 11.579 20.920 -23.297 1.00 31.33 C ATOM 404 NH1 ARG A 26 10.604 21.504 -23.939 1.00 2.21 N ATOM 405 NH2 ARG A 26 12.073 21.468 -22.222 1.00 40.11 N ATOM 0 H ARG A 26 8.841 14.797 -22.713 1.00 54.15 H new ATOM 0 HA ARG A 26 10.190 17.186 -21.562 1.00 53.44 H new ATOM 0 HB2 ARG A 26 10.522 15.533 -23.729 1.00 44.51 H new ATOM 0 HB3 ARG A 26 9.583 16.821 -24.459 1.00 44.51 H new ATOM 0 HG2 ARG A 26 11.796 17.672 -22.615 1.00 4.13 H new ATOM 0 HG3 ARG A 26 12.291 16.960 -24.138 1.00 4.13 H new ATOM 0 HD2 ARG A 26 11.329 18.701 -25.425 1.00 63.14 H new ATOM 0 HD3 ARG A 26 10.106 19.063 -24.223 1.00 63.14 H new ATOM 0 HE ARG A 26 13.056 19.589 -23.646 1.00 61.43 H new ATOM 0 HH11 ARG A 26 10.218 21.075 -24.780 1.00 2.21 H new ATOM 0 HH12 ARG A 26 10.228 22.389 -23.600 1.00 2.21 H new ATOM 0 HH21 ARG A 26 12.835 21.011 -21.721 1.00 40.11 H new ATOM 0 HH22 ARG A 26 11.698 22.354 -21.882 1.00 40.11 H new ATOM 419 N ARG A 27 7.373 17.469 -23.165 1.00 33.51 N ATOM 420 CA ARG A 27 6.212 18.393 -23.212 1.00 33.11 C ATOM 421 C ARG A 27 5.618 18.308 -21.824 1.00 62.34 C ATOM 422 O ARG A 27 5.143 19.279 -21.279 1.00 24.04 O ATOM 423 CB ARG A 27 5.223 17.912 -24.296 1.00 12.23 C ATOM 424 CG ARG A 27 5.432 16.437 -24.586 1.00 62.23 C ATOM 425 CD ARG A 27 4.236 15.815 -25.294 1.00 71.50 C ATOM 426 NE ARG A 27 4.235 16.399 -26.665 1.00 33.34 N ATOM 427 CZ ARG A 27 3.995 17.669 -26.837 1.00 24.51 C ATOM 428 NH1 ARG A 27 2.850 18.173 -26.468 1.00 63.45 N ATOM 429 NH2 ARG A 27 4.903 18.436 -27.378 1.00 10.12 N ATOM 0 H ARG A 27 7.301 16.629 -23.739 1.00 33.51 H new ATOM 0 HA ARG A 27 6.473 19.420 -23.469 1.00 33.11 H new ATOM 0 HB2 ARG A 27 4.199 18.082 -23.964 1.00 12.23 H new ATOM 0 HB3 ARG A 27 5.363 18.492 -25.208 1.00 12.23 H new ATOM 0 HG2 ARG A 27 6.322 16.312 -25.202 1.00 62.23 H new ATOM 0 HG3 ARG A 27 5.615 15.907 -23.651 1.00 62.23 H new ATOM 0 HD2 ARG A 27 4.323 14.729 -25.330 1.00 71.50 H new ATOM 0 HD3 ARG A 27 3.308 16.043 -24.770 1.00 71.50 H new ATOM 0 HE ARG A 27 4.423 15.803 -27.471 1.00 33.34 H new ATOM 0 HH11 ARG A 27 2.142 17.574 -26.045 1.00 63.45 H new ATOM 0 HH12 ARG A 27 2.663 19.167 -26.603 1.00 63.45 H new ATOM 0 HH21 ARG A 27 5.799 18.041 -27.665 1.00 10.12 H new ATOM 0 HH22 ARG A 27 4.717 19.430 -27.513 1.00 10.12 H new ATOM 443 N LEU A 28 5.728 17.141 -21.221 1.00 74.31 N ATOM 444 CA LEU A 28 5.256 16.969 -19.830 1.00 0.50 C ATOM 445 C LEU A 28 6.051 17.865 -18.952 1.00 41.20 C ATOM 446 O LEU A 28 5.603 18.875 -18.500 1.00 53.10 O ATOM 447 CB LEU A 28 5.583 15.562 -19.430 1.00 23.45 C ATOM 448 CG LEU A 28 4.291 14.809 -19.323 1.00 65.31 C ATOM 449 CD1 LEU A 28 3.451 15.442 -18.252 1.00 64.21 C ATOM 450 CD2 LEU A 28 3.534 14.886 -20.610 1.00 32.55 C ATOM 0 H LEU A 28 6.128 16.305 -21.647 1.00 74.31 H new ATOM 0 HA LEU A 28 4.191 17.187 -19.748 1.00 0.50 H new ATOM 0 HB2 LEU A 28 6.237 15.097 -20.167 1.00 23.45 H new ATOM 0 HB3 LEU A 28 6.114 15.548 -18.478 1.00 23.45 H new ATOM 0 HG LEU A 28 4.509 13.767 -19.089 1.00 65.31 H new ATOM 0 HD11 LEU A 28 2.507 14.903 -18.164 1.00 64.21 H new ATOM 0 HD12 LEU A 28 3.982 15.401 -17.301 1.00 64.21 H new ATOM 0 HD13 LEU A 28 3.252 16.482 -18.512 1.00 64.21 H new ATOM 0 HD21 LEU A 28 2.599 14.334 -20.516 1.00 32.55 H new ATOM 0 HD22 LEU A 28 3.318 15.929 -20.843 1.00 32.55 H new ATOM 0 HD23 LEU A 28 4.132 14.451 -21.411 1.00 32.55 H new ATOM 462 N ALA A 29 7.266 17.492 -18.734 1.00 22.30 N ATOM 463 CA ALA A 29 8.129 18.306 -17.888 1.00 75.12 C ATOM 464 C ALA A 29 7.992 19.755 -18.325 1.00 50.35 C ATOM 465 O ALA A 29 8.173 20.672 -17.564 1.00 11.10 O ATOM 466 CB ALA A 29 9.515 17.815 -18.191 1.00 51.32 C ATOM 0 H ALA A 29 7.696 16.648 -19.113 1.00 22.30 H new ATOM 0 HA ALA A 29 7.890 18.239 -16.827 1.00 75.12 H new ATOM 0 HB1 ALA A 29 10.237 18.374 -17.596 1.00 51.32 H new ATOM 0 HB2 ALA A 29 9.587 16.755 -17.947 1.00 51.32 H new ATOM 0 HB3 ALA A 29 9.729 17.959 -19.250 1.00 51.32 H new ATOM 472 N ARG A 30 7.648 19.954 -19.565 1.00 55.23 N ATOM 473 CA ARG A 30 7.462 21.324 -20.068 1.00 71.11 C ATOM 474 C ARG A 30 6.120 21.839 -19.558 1.00 52.24 C ATOM 475 O ARG A 30 5.994 22.961 -19.108 1.00 3.43 O ATOM 476 CB ARG A 30 7.443 21.169 -21.581 1.00 23.51 C ATOM 477 CG ARG A 30 6.985 22.472 -22.228 1.00 13.24 C ATOM 478 CD ARG A 30 5.985 22.165 -23.346 1.00 12.10 C ATOM 479 NE ARG A 30 6.780 22.223 -24.604 1.00 73.41 N ATOM 480 CZ ARG A 30 6.717 23.280 -25.368 1.00 62.42 C ATOM 481 NH1 ARG A 30 7.206 24.417 -24.951 1.00 21.52 N ATOM 482 NH2 ARG A 30 6.170 23.200 -26.550 1.00 60.25 N ATOM 0 H ARG A 30 7.489 19.215 -20.250 1.00 55.23 H new ATOM 0 HA ARG A 30 8.233 22.024 -19.747 1.00 71.11 H new ATOM 0 HB2 ARG A 30 8.437 20.903 -21.941 1.00 23.51 H new ATOM 0 HB3 ARG A 30 6.774 20.357 -21.864 1.00 23.51 H new ATOM 0 HG2 ARG A 30 6.524 23.119 -21.481 1.00 13.24 H new ATOM 0 HG3 ARG A 30 7.842 23.011 -22.631 1.00 13.24 H new ATOM 0 HD2 ARG A 30 5.532 21.183 -23.211 1.00 12.10 H new ATOM 0 HD3 ARG A 30 5.173 22.892 -23.359 1.00 12.10 H new ATOM 0 HE ARG A 30 7.374 21.437 -24.869 1.00 73.41 H new ATOM 0 HH11 ARG A 30 7.637 24.479 -24.029 1.00 21.52 H new ATOM 0 HH12 ARG A 30 7.157 25.243 -25.548 1.00 21.52 H new ATOM 0 HH21 ARG A 30 5.791 22.311 -26.878 1.00 60.25 H new ATOM 0 HH22 ARG A 30 6.121 24.026 -27.146 1.00 60.25 H new ATOM 496 N LYS A 31 5.122 20.994 -19.586 1.00 15.51 N ATOM 497 CA LYS A 31 3.792 21.385 -19.063 1.00 42.15 C ATOM 498 C LYS A 31 3.778 21.072 -17.572 1.00 23.12 C ATOM 499 O LYS A 31 2.824 21.343 -16.868 1.00 23.02 O ATOM 500 CB LYS A 31 2.793 20.486 -19.821 1.00 21.03 C ATOM 501 CG LYS A 31 3.082 19.006 -19.507 1.00 73.13 C ATOM 502 CD LYS A 31 1.807 18.167 -19.409 1.00 2.24 C ATOM 503 CE LYS A 31 1.258 17.900 -20.806 1.00 1.44 C ATOM 504 NZ LYS A 31 0.276 18.993 -21.052 1.00 10.24 N ATOM 0 H LYS A 31 5.178 20.044 -19.953 1.00 15.51 H new ATOM 0 HA LYS A 31 3.550 22.439 -19.198 1.00 42.15 H new ATOM 0 HB2 LYS A 31 1.772 20.736 -19.532 1.00 21.03 H new ATOM 0 HB3 LYS A 31 2.872 20.662 -20.894 1.00 21.03 H new ATOM 0 HG2 LYS A 31 3.726 18.593 -20.283 1.00 73.13 H new ATOM 0 HG3 LYS A 31 3.631 18.938 -18.568 1.00 73.13 H new ATOM 0 HD2 LYS A 31 2.019 17.224 -18.905 1.00 2.24 H new ATOM 0 HD3 LYS A 31 1.062 18.689 -18.809 1.00 2.24 H new ATOM 0 HE2 LYS A 31 2.054 17.910 -21.551 1.00 1.44 H new ATOM 0 HE3 LYS A 31 0.781 16.921 -20.862 1.00 1.44 H new ATOM 0 HZ1 LYS A 31 -0.616 18.587 -21.400 1.00 10.24 H new ATOM 0 HZ2 LYS A 31 0.099 19.507 -20.165 1.00 10.24 H new ATOM 0 HZ3 LYS A 31 0.658 19.649 -21.763 1.00 10.24 H new ATOM 518 N TYR A 32 4.831 20.445 -17.101 1.00 45.00 N ATOM 519 CA TYR A 32 4.913 20.033 -15.684 1.00 71.22 C ATOM 520 C TYR A 32 6.040 20.751 -14.958 1.00 35.14 C ATOM 521 O TYR A 32 6.068 20.777 -13.745 1.00 4.10 O ATOM 522 CB TYR A 32 5.253 18.550 -15.741 1.00 54.32 C ATOM 523 CG TYR A 32 4.014 17.728 -15.886 1.00 40.40 C ATOM 524 CD1 TYR A 32 2.884 18.247 -16.506 1.00 52.35 C ATOM 525 CD2 TYR A 32 4.019 16.432 -15.406 1.00 5.24 C ATOM 526 CE1 TYR A 32 1.741 17.461 -16.649 1.00 62.40 C ATOM 527 CE2 TYR A 32 2.879 15.633 -15.540 1.00 60.02 C ATOM 528 CZ TYR A 32 1.735 16.147 -16.166 1.00 32.53 C ATOM 529 OH TYR A 32 0.608 15.362 -16.299 1.00 2.21 O ATOM 0 H TYR A 32 5.648 20.202 -17.660 1.00 45.00 H new ATOM 0 HA TYR A 32 3.987 20.260 -15.156 1.00 71.22 H new ATOM 0 HB2 TYR A 32 5.923 18.358 -16.579 1.00 54.32 H new ATOM 0 HB3 TYR A 32 5.784 18.259 -14.835 1.00 54.32 H new ATOM 0 HD1 TYR A 32 2.891 19.261 -16.878 1.00 52.35 H new ATOM 0 HD2 TYR A 32 4.903 16.036 -14.928 1.00 5.24 H new ATOM 0 HE1 TYR A 32 0.863 17.865 -17.131 1.00 62.40 H new ATOM 0 HE2 TYR A 32 2.880 14.621 -15.162 1.00 60.02 H new ATOM 0 HH TYR A 32 0.777 14.478 -15.910 1.00 2.21 H new ATOM 539 N HIS A 33 6.995 21.328 -15.644 1.00 53.44 N ATOM 540 CA HIS A 33 8.060 21.987 -14.861 1.00 71.21 C ATOM 541 C HIS A 33 7.349 22.955 -13.937 1.00 4.22 C ATOM 542 O HIS A 33 6.650 23.840 -14.381 1.00 73.45 O ATOM 543 CB HIS A 33 9.026 22.672 -15.823 1.00 64.34 C ATOM 544 CG HIS A 33 10.184 23.112 -14.989 1.00 52.42 C ATOM 545 ND1 HIS A 33 10.099 24.232 -14.195 1.00 70.54 N ATOM 546 CD2 HIS A 33 11.378 22.515 -14.680 1.00 52.21 C ATOM 547 CE1 HIS A 33 11.194 24.266 -13.423 1.00 11.40 C ATOM 548 NE2 HIS A 33 12.018 23.246 -13.684 1.00 71.22 N ATOM 0 H HIS A 33 7.077 21.368 -16.660 1.00 53.44 H new ATOM 0 HA HIS A 33 8.660 21.296 -14.268 1.00 71.21 H new ATOM 0 HB2 HIS A 33 9.347 21.988 -16.609 1.00 64.34 H new ATOM 0 HB3 HIS A 33 8.552 23.522 -16.314 1.00 64.34 H new ATOM 0 HD2 HIS A 33 11.763 21.616 -15.139 1.00 52.21 H new ATOM 0 HE1 HIS A 33 11.387 25.025 -12.680 1.00 11.40 H new ATOM 0 HE2 HIS A 33 12.919 23.047 -13.248 1.00 71.22 H new ATOM 556 N PRO A 34 7.463 22.675 -12.676 1.00 60.44 N ATOM 557 CA PRO A 34 6.710 23.432 -11.661 1.00 24.34 C ATOM 558 C PRO A 34 6.867 24.946 -11.800 1.00 73.40 C ATOM 559 O PRO A 34 5.992 25.702 -11.428 1.00 25.12 O ATOM 560 CB PRO A 34 7.206 22.856 -10.349 1.00 21.34 C ATOM 561 CG PRO A 34 8.518 22.235 -10.683 1.00 34.12 C ATOM 562 CD PRO A 34 8.335 21.674 -12.063 1.00 50.34 C ATOM 0 HA PRO A 34 5.630 23.321 -11.759 1.00 24.34 H new ATOM 0 HB2 PRO A 34 7.316 23.632 -9.592 1.00 21.34 H new ATOM 0 HB3 PRO A 34 6.509 22.119 -9.951 1.00 21.34 H new ATOM 0 HG2 PRO A 34 9.322 22.971 -10.658 1.00 34.12 H new ATOM 0 HG3 PRO A 34 8.779 21.453 -9.969 1.00 34.12 H new ATOM 0 HD2 PRO A 34 9.282 21.576 -12.594 1.00 50.34 H new ATOM 0 HD3 PRO A 34 7.875 20.686 -12.046 1.00 50.34 H new ATOM 570 N ASP A 35 7.928 25.393 -12.385 1.00 14.03 N ATOM 571 CA ASP A 35 8.081 26.858 -12.611 1.00 22.41 C ATOM 572 C ASP A 35 7.042 27.279 -13.633 1.00 33.30 C ATOM 573 O ASP A 35 6.697 28.436 -13.770 1.00 71.10 O ATOM 574 CB ASP A 35 9.447 27.025 -13.254 1.00 53.41 C ATOM 575 CG ASP A 35 10.062 28.358 -12.825 1.00 31.41 C ATOM 576 OD1 ASP A 35 9.394 29.096 -12.120 1.00 54.40 O ATOM 577 OD2 ASP A 35 11.190 28.618 -13.208 1.00 73.21 O ATOM 0 H ASP A 35 8.700 24.816 -12.719 1.00 14.03 H new ATOM 0 HA ASP A 35 7.973 27.436 -11.693 1.00 22.41 H new ATOM 0 HB2 ASP A 35 10.100 26.202 -12.962 1.00 53.41 H new ATOM 0 HB3 ASP A 35 9.355 26.989 -14.340 1.00 53.41 H new ATOM 582 N VAL A 36 6.575 26.321 -14.376 1.00 22.40 N ATOM 583 CA VAL A 36 5.593 26.584 -15.435 1.00 45.01 C ATOM 584 C VAL A 36 4.924 25.254 -15.735 1.00 45.31 C ATOM 585 O VAL A 36 5.487 24.370 -16.351 1.00 13.20 O ATOM 586 CB VAL A 36 6.465 27.049 -16.627 1.00 72.34 C ATOM 587 CG1 VAL A 36 7.951 26.870 -16.285 1.00 73.42 C ATOM 588 CG2 VAL A 36 6.179 26.198 -17.859 1.00 14.22 C ATOM 0 H VAL A 36 6.846 25.342 -14.284 1.00 22.40 H new ATOM 0 HA VAL A 36 4.823 27.318 -15.196 1.00 45.01 H new ATOM 0 HB VAL A 36 6.232 28.095 -16.825 1.00 72.34 H new ATOM 0 HG11 VAL A 36 8.560 27.199 -17.127 1.00 73.42 H new ATOM 0 HG12 VAL A 36 8.196 27.465 -15.405 1.00 73.42 H new ATOM 0 HG13 VAL A 36 8.153 25.819 -16.079 1.00 73.42 H new ATOM 0 HG21 VAL A 36 6.800 26.538 -18.688 1.00 14.22 H new ATOM 0 HG22 VAL A 36 6.405 25.154 -17.641 1.00 14.22 H new ATOM 0 HG23 VAL A 36 5.128 26.293 -18.131 1.00 14.22 H new ATOM 598 N SER A 37 3.760 25.083 -15.276 1.00 61.53 N ATOM 599 CA SER A 37 3.091 23.802 -15.521 1.00 33.41 C ATOM 600 C SER A 37 1.580 23.919 -15.344 1.00 25.03 C ATOM 601 O SER A 37 1.125 24.590 -14.439 1.00 73.34 O ATOM 602 CB SER A 37 3.737 22.929 -14.490 1.00 60.11 C ATOM 603 OG SER A 37 2.917 22.896 -13.336 1.00 3.43 O ATOM 0 H SER A 37 3.228 25.767 -14.738 1.00 61.53 H new ATOM 0 HA SER A 37 3.198 23.418 -16.536 1.00 33.41 H new ATOM 0 HB2 SER A 37 3.875 21.922 -14.883 1.00 60.11 H new ATOM 0 HB3 SER A 37 4.726 23.312 -14.238 1.00 60.11 H new ATOM 0 HG SER A 37 2.096 22.398 -13.532 1.00 3.43 H new ATOM 609 N LYS A 38 0.780 23.261 -16.138 1.00 63.43 N ATOM 610 CA LYS A 38 -0.679 23.377 -15.876 1.00 25.04 C ATOM 611 C LYS A 38 -1.321 22.000 -15.720 1.00 74.32 C ATOM 612 O LYS A 38 -1.938 21.443 -16.606 1.00 71.12 O ATOM 613 CB LYS A 38 -1.277 24.173 -17.036 1.00 24.23 C ATOM 614 CG LYS A 38 -1.045 25.668 -16.806 1.00 33.01 C ATOM 615 CD LYS A 38 -2.176 26.465 -17.458 1.00 51.30 C ATOM 616 CE LYS A 38 -2.957 27.217 -16.379 1.00 74.13 C ATOM 617 NZ LYS A 38 -3.817 28.175 -17.127 1.00 53.14 N ATOM 0 H LYS A 38 1.058 22.673 -16.924 1.00 63.43 H new ATOM 0 HA LYS A 38 -0.871 23.895 -14.936 1.00 25.04 H new ATOM 0 HB2 LYS A 38 -0.820 23.864 -17.976 1.00 24.23 H new ATOM 0 HB3 LYS A 38 -2.345 23.969 -17.118 1.00 24.23 H new ATOM 0 HG2 LYS A 38 -1.005 25.881 -15.738 1.00 33.01 H new ATOM 0 HG3 LYS A 38 -0.085 25.967 -17.227 1.00 33.01 H new ATOM 0 HD2 LYS A 38 -1.768 27.169 -18.184 1.00 51.30 H new ATOM 0 HD3 LYS A 38 -2.841 25.795 -18.003 1.00 51.30 H new ATOM 0 HE2 LYS A 38 -3.557 26.534 -15.777 1.00 74.13 H new ATOM 0 HE3 LYS A 38 -2.286 27.738 -15.696 1.00 74.13 H new ATOM 0 HZ1 LYS A 38 -4.385 28.729 -16.455 1.00 53.14 H new ATOM 0 HZ2 LYS A 38 -3.218 28.816 -17.686 1.00 53.14 H new ATOM 0 HZ3 LYS A 38 -4.450 27.650 -17.764 1.00 53.14 H new ATOM 631 N GLU A 39 -1.120 21.483 -14.562 1.00 62.15 N ATOM 632 CA GLU A 39 -1.610 20.140 -14.143 1.00 13.03 C ATOM 633 C GLU A 39 -2.093 20.225 -12.682 1.00 53.52 C ATOM 634 O GLU A 39 -1.819 21.198 -12.011 1.00 31.35 O ATOM 635 CB GLU A 39 -0.383 19.239 -14.272 1.00 40.41 C ATOM 636 CG GLU A 39 0.458 19.349 -13.021 1.00 61.11 C ATOM 637 CD GLU A 39 0.606 20.823 -12.631 1.00 23.55 C ATOM 638 OE1 GLU A 39 0.979 21.609 -13.487 1.00 20.13 O ATOM 639 OE2 GLU A 39 0.386 21.134 -11.472 1.00 12.21 O ATOM 0 H GLU A 39 -0.599 21.965 -13.829 1.00 62.15 H new ATOM 0 HA GLU A 39 -2.444 19.766 -14.736 1.00 13.03 H new ATOM 0 HB2 GLU A 39 -0.692 18.205 -14.425 1.00 40.41 H new ATOM 0 HB3 GLU A 39 0.204 19.528 -15.144 1.00 40.41 H new ATOM 0 HG2 GLU A 39 -0.007 18.792 -12.208 1.00 61.11 H new ATOM 0 HG3 GLU A 39 1.440 18.907 -13.190 1.00 61.11 H new ATOM 646 N PRO A 40 -2.775 19.224 -12.216 1.00 11.44 N ATOM 647 CA PRO A 40 -3.225 19.246 -10.803 1.00 72.10 C ATOM 648 C PRO A 40 -1.988 19.318 -9.872 1.00 42.23 C ATOM 649 O PRO A 40 -1.976 20.051 -8.904 1.00 34.43 O ATOM 650 CB PRO A 40 -3.998 17.932 -10.659 1.00 64.13 C ATOM 651 CG PRO A 40 -3.461 17.063 -11.751 1.00 44.00 C ATOM 652 CD PRO A 40 -3.165 17.991 -12.901 1.00 32.10 C ATOM 0 HA PRO A 40 -3.844 20.103 -10.536 1.00 72.10 H new ATOM 0 HB2 PRO A 40 -3.839 17.483 -9.679 1.00 64.13 H new ATOM 0 HB3 PRO A 40 -5.071 18.088 -10.767 1.00 64.13 H new ATOM 0 HG2 PRO A 40 -2.561 16.540 -11.428 1.00 44.00 H new ATOM 0 HG3 PRO A 40 -4.186 16.302 -12.039 1.00 44.00 H new ATOM 0 HD2 PRO A 40 -2.366 17.609 -13.536 1.00 32.10 H new ATOM 0 HD3 PRO A 40 -4.036 18.139 -13.539 1.00 32.10 H new ATOM 660 N ASP A 41 -0.939 18.580 -10.176 1.00 25.41 N ATOM 661 CA ASP A 41 0.312 18.623 -9.330 1.00 61.03 C ATOM 662 C ASP A 41 1.556 18.350 -10.202 1.00 61.32 C ATOM 663 O ASP A 41 2.081 17.265 -10.194 1.00 60.52 O ATOM 664 CB ASP A 41 0.132 17.512 -8.296 1.00 41.14 C ATOM 665 CG ASP A 41 0.350 18.083 -6.894 1.00 21.31 C ATOM 666 OD1 ASP A 41 1.140 19.004 -6.768 1.00 4.11 O ATOM 667 OD2 ASP A 41 -0.276 17.590 -5.970 1.00 43.21 O ATOM 0 H ASP A 41 -0.893 17.948 -10.975 1.00 25.41 H new ATOM 0 HA ASP A 41 0.458 19.596 -8.862 1.00 61.03 H new ATOM 0 HB2 ASP A 41 -0.868 17.085 -8.375 1.00 41.14 H new ATOM 0 HB3 ASP A 41 0.840 16.705 -8.486 1.00 41.14 H new ATOM 672 N ALA A 42 2.011 19.342 -10.945 1.00 52.21 N ATOM 673 CA ALA A 42 3.209 19.190 -11.865 1.00 51.22 C ATOM 674 C ALA A 42 4.508 19.159 -11.074 1.00 63.50 C ATOM 675 O ALA A 42 5.433 18.471 -11.434 1.00 22.34 O ATOM 676 CB ALA A 42 3.184 20.416 -12.791 1.00 12.54 C ATOM 0 H ALA A 42 1.596 20.274 -10.956 1.00 52.21 H new ATOM 0 HA ALA A 42 3.157 18.255 -12.423 1.00 51.22 H new ATOM 0 HB1 ALA A 42 4.026 20.367 -13.482 1.00 12.54 H new ATOM 0 HB2 ALA A 42 2.251 20.427 -13.355 1.00 12.54 H new ATOM 0 HB3 ALA A 42 3.257 21.325 -12.194 1.00 12.54 H new ATOM 682 N GLU A 43 4.603 19.861 -9.983 1.00 2.51 N ATOM 683 CA GLU A 43 5.868 19.771 -9.213 1.00 35.42 C ATOM 684 C GLU A 43 6.080 18.286 -8.965 1.00 53.14 C ATOM 685 O GLU A 43 7.128 17.717 -9.221 1.00 64.24 O ATOM 686 CB GLU A 43 5.610 20.533 -7.908 1.00 75.53 C ATOM 687 CG GLU A 43 6.474 19.953 -6.784 1.00 75.42 C ATOM 688 CD GLU A 43 7.951 20.078 -7.161 1.00 4.55 C ATOM 689 OE1 GLU A 43 8.416 21.198 -7.291 1.00 63.25 O ATOM 690 OE2 GLU A 43 8.592 19.052 -7.314 1.00 42.24 O ATOM 0 H GLU A 43 3.884 20.475 -9.601 1.00 2.51 H new ATOM 0 HA GLU A 43 6.746 20.188 -9.706 1.00 35.42 H new ATOM 0 HB2 GLU A 43 5.837 21.590 -8.044 1.00 75.53 H new ATOM 0 HB3 GLU A 43 4.556 20.465 -7.640 1.00 75.53 H new ATOM 0 HG2 GLU A 43 6.280 20.482 -5.851 1.00 75.42 H new ATOM 0 HG3 GLU A 43 6.218 18.907 -6.616 1.00 75.42 H new ATOM 697 N ALA A 44 5.031 17.659 -8.527 1.00 35.13 N ATOM 698 CA ALA A 44 5.053 16.202 -8.292 1.00 43.10 C ATOM 699 C ALA A 44 4.980 15.478 -9.619 1.00 64.13 C ATOM 700 O ALA A 44 5.805 14.652 -9.937 1.00 34.42 O ATOM 701 CB ALA A 44 3.769 15.943 -7.545 1.00 60.10 C ATOM 0 H ALA A 44 4.140 18.110 -8.318 1.00 35.13 H new ATOM 0 HA ALA A 44 5.947 15.872 -7.763 1.00 43.10 H new ATOM 0 HB1 ALA A 44 3.687 14.880 -7.320 1.00 60.10 H new ATOM 0 HB2 ALA A 44 3.768 16.512 -6.615 1.00 60.10 H new ATOM 0 HB3 ALA A 44 2.922 16.250 -8.159 1.00 60.10 H new ATOM 707 N ARG A 45 3.979 15.785 -10.399 1.00 72.32 N ATOM 708 CA ARG A 45 3.845 15.117 -11.697 1.00 33.14 C ATOM 709 C ARG A 45 5.149 15.272 -12.464 1.00 75.34 C ATOM 710 O ARG A 45 5.770 14.303 -12.834 1.00 75.33 O ATOM 711 CB ARG A 45 2.708 15.821 -12.414 1.00 3.42 C ATOM 712 CG ARG A 45 1.491 14.907 -12.430 1.00 31.21 C ATOM 713 CD ARG A 45 0.256 15.700 -12.020 1.00 52.20 C ATOM 714 NE ARG A 45 -0.705 14.685 -11.511 1.00 53.14 N ATOM 715 CZ ARG A 45 -1.790 14.417 -12.184 1.00 2.55 C ATOM 716 NH1 ARG A 45 -1.760 14.399 -13.489 1.00 32.44 N ATOM 717 NH2 ARG A 45 -2.906 14.170 -11.554 1.00 32.11 N ATOM 0 H ARG A 45 3.256 16.471 -10.182 1.00 72.32 H new ATOM 0 HA ARG A 45 3.637 14.051 -11.602 1.00 33.14 H new ATOM 0 HB2 ARG A 45 2.469 16.758 -11.911 1.00 3.42 H new ATOM 0 HB3 ARG A 45 3.004 16.072 -13.433 1.00 3.42 H new ATOM 0 HG2 ARG A 45 1.352 14.486 -13.426 1.00 31.21 H new ATOM 0 HG3 ARG A 45 1.642 14.070 -11.748 1.00 31.21 H new ATOM 0 HD2 ARG A 45 0.497 16.435 -11.252 1.00 52.20 H new ATOM 0 HD3 ARG A 45 -0.160 16.247 -12.866 1.00 52.20 H new ATOM 0 HE ARG A 45 -0.515 14.198 -10.635 1.00 53.14 H new ATOM 0 HH11 ARG A 45 -0.889 14.594 -13.982 1.00 32.44 H new ATOM 0 HH12 ARG A 45 -2.608 14.190 -14.016 1.00 32.44 H new ATOM 0 HH21 ARG A 45 -2.930 14.186 -10.534 1.00 32.11 H new ATOM 0 HH22 ARG A 45 -3.754 13.961 -12.081 1.00 32.11 H new ATOM 731 N PHE A 46 5.593 16.489 -12.672 1.00 63.42 N ATOM 732 CA PHE A 46 6.880 16.680 -13.393 1.00 11.30 C ATOM 733 C PHE A 46 7.901 15.791 -12.750 1.00 60.20 C ATOM 734 O PHE A 46 8.478 14.933 -13.381 1.00 11.50 O ATOM 735 CB PHE A 46 7.323 18.119 -13.153 1.00 14.21 C ATOM 736 CG PHE A 46 8.681 18.319 -13.792 1.00 30.50 C ATOM 737 CD1 PHE A 46 9.828 17.782 -13.192 1.00 71.10 C ATOM 738 CD2 PHE A 46 8.797 19.052 -14.973 1.00 53.53 C ATOM 739 CE1 PHE A 46 11.084 17.986 -13.775 1.00 33.43 C ATOM 740 CE2 PHE A 46 10.050 19.254 -15.558 1.00 23.31 C ATOM 741 CZ PHE A 46 11.195 18.724 -14.957 1.00 15.24 C ATOM 0 H PHE A 46 5.123 17.345 -12.376 1.00 63.42 H new ATOM 0 HA PHE A 46 6.774 16.460 -14.455 1.00 11.30 H new ATOM 0 HB2 PHE A 46 6.599 18.814 -13.578 1.00 14.21 H new ATOM 0 HB3 PHE A 46 7.374 18.326 -12.084 1.00 14.21 H new ATOM 0 HD1 PHE A 46 9.743 17.211 -12.280 1.00 71.10 H new ATOM 0 HD2 PHE A 46 7.914 19.466 -15.438 1.00 53.53 H new ATOM 0 HE1 PHE A 46 11.968 17.573 -13.311 1.00 33.43 H new ATOM 0 HE2 PHE A 46 10.133 19.820 -16.474 1.00 23.31 H new ATOM 0 HZ PHE A 46 12.164 18.884 -15.405 1.00 15.24 H new ATOM 751 N LYS A 47 8.125 15.967 -11.480 1.00 0.22 N ATOM 752 CA LYS A 47 9.104 15.091 -10.835 1.00 22.33 C ATOM 753 C LYS A 47 8.693 13.663 -11.139 1.00 32.33 C ATOM 754 O LYS A 47 9.524 12.814 -11.365 1.00 53.54 O ATOM 755 CB LYS A 47 9.044 15.391 -9.347 1.00 41.33 C ATOM 756 CG LYS A 47 9.867 16.650 -9.070 1.00 42.44 C ATOM 757 CD LYS A 47 11.111 16.279 -8.258 1.00 1.12 C ATOM 758 CE LYS A 47 12.359 16.819 -8.964 1.00 43.15 C ATOM 759 NZ LYS A 47 13.509 16.306 -8.167 1.00 42.04 N ATOM 0 H LYS A 47 7.680 16.664 -10.883 1.00 0.22 H new ATOM 0 HA LYS A 47 10.124 15.243 -11.187 1.00 22.33 H new ATOM 0 HB2 LYS A 47 8.011 15.537 -9.032 1.00 41.33 H new ATOM 0 HB3 LYS A 47 9.435 14.550 -8.775 1.00 41.33 H new ATOM 0 HG2 LYS A 47 10.160 17.120 -10.009 1.00 42.44 H new ATOM 0 HG3 LYS A 47 9.266 17.377 -8.523 1.00 42.44 H new ATOM 0 HD2 LYS A 47 11.040 16.694 -7.253 1.00 1.12 H new ATOM 0 HD3 LYS A 47 11.180 15.196 -8.151 1.00 1.12 H new ATOM 0 HE2 LYS A 47 12.409 16.472 -9.996 1.00 43.15 H new ATOM 0 HE3 LYS A 47 12.355 17.909 -8.994 1.00 43.15 H new ATOM 0 HZ1 LYS A 47 14.400 16.636 -8.591 1.00 42.04 H new ATOM 0 HZ2 LYS A 47 13.439 16.658 -7.191 1.00 42.04 H new ATOM 0 HZ3 LYS A 47 13.492 15.266 -8.162 1.00 42.04 H new ATOM 773 N GLU A 48 7.402 13.409 -11.205 1.00 52.32 N ATOM 774 CA GLU A 48 6.933 12.066 -11.558 1.00 73.13 C ATOM 775 C GLU A 48 7.376 11.794 -12.965 1.00 12.33 C ATOM 776 O GLU A 48 7.723 10.693 -13.318 1.00 30.34 O ATOM 777 CB GLU A 48 5.419 12.141 -11.509 1.00 70.01 C ATOM 778 CG GLU A 48 4.931 11.115 -10.532 1.00 61.24 C ATOM 779 CD GLU A 48 3.583 11.546 -9.951 1.00 3.23 C ATOM 780 OE1 GLU A 48 2.735 11.963 -10.721 1.00 52.12 O ATOM 781 OE2 GLU A 48 3.424 11.453 -8.745 1.00 71.32 O ATOM 0 H GLU A 48 6.666 14.091 -11.025 1.00 52.32 H new ATOM 0 HA GLU A 48 7.313 11.287 -10.898 1.00 73.13 H new ATOM 0 HB2 GLU A 48 5.097 13.137 -11.206 1.00 70.01 H new ATOM 0 HB3 GLU A 48 4.997 11.956 -12.497 1.00 70.01 H new ATOM 0 HG2 GLU A 48 4.831 10.149 -11.026 1.00 61.24 H new ATOM 0 HG3 GLU A 48 5.659 10.989 -9.730 1.00 61.24 H new ATOM 788 N VAL A 49 7.372 12.802 -13.779 1.00 0.53 N ATOM 789 CA VAL A 49 7.818 12.605 -15.163 1.00 60.22 C ATOM 790 C VAL A 49 9.287 12.461 -15.149 1.00 4.14 C ATOM 791 O VAL A 49 9.834 11.491 -15.533 1.00 73.32 O ATOM 792 CB VAL A 49 7.530 13.875 -15.911 1.00 20.11 C ATOM 793 CG1 VAL A 49 7.875 13.640 -17.352 1.00 24.45 C ATOM 794 CG2 VAL A 49 6.081 14.223 -15.796 1.00 44.40 C ATOM 0 H VAL A 49 7.079 13.750 -13.541 1.00 0.53 H new ATOM 0 HA VAL A 49 7.328 11.739 -15.609 1.00 60.22 H new ATOM 0 HB VAL A 49 8.115 14.697 -15.499 1.00 20.11 H new ATOM 0 HG11 VAL A 49 7.677 14.545 -17.926 1.00 24.45 H new ATOM 0 HG12 VAL A 49 8.930 13.381 -17.436 1.00 24.45 H new ATOM 0 HG13 VAL A 49 7.268 12.823 -17.743 1.00 24.45 H new ATOM 0 HG21 VAL A 49 5.884 15.145 -16.342 1.00 44.40 H new ATOM 0 HG22 VAL A 49 5.479 13.417 -16.216 1.00 44.40 H new ATOM 0 HG23 VAL A 49 5.822 14.361 -14.746 1.00 44.40 H new ATOM 804 N ALA A 50 9.915 13.437 -14.644 1.00 51.35 N ATOM 805 CA ALA A 50 11.368 13.416 -14.549 1.00 54.21 C ATOM 806 C ALA A 50 11.758 12.095 -13.935 1.00 54.44 C ATOM 807 O ALA A 50 12.773 11.504 -14.235 1.00 52.21 O ATOM 808 CB ALA A 50 11.576 14.573 -13.640 1.00 52.21 C ATOM 0 H ALA A 50 9.473 14.281 -14.279 1.00 51.35 H new ATOM 0 HA ALA A 50 11.946 13.496 -15.469 1.00 54.21 H new ATOM 0 HB1 ALA A 50 12.642 14.705 -13.457 1.00 52.21 H new ATOM 0 HB2 ALA A 50 11.173 15.475 -14.101 1.00 52.21 H new ATOM 0 HB3 ALA A 50 11.065 14.389 -12.695 1.00 52.21 H new ATOM 814 N GLU A 51 10.877 11.614 -13.129 1.00 50.13 N ATOM 815 CA GLU A 51 11.038 10.297 -12.505 1.00 55.43 C ATOM 816 C GLU A 51 10.740 9.285 -13.544 1.00 65.32 C ATOM 817 O GLU A 51 11.573 8.519 -13.942 1.00 72.42 O ATOM 818 CB GLU A 51 9.915 10.257 -11.539 1.00 43.52 C ATOM 819 CG GLU A 51 10.337 10.601 -10.146 1.00 4.34 C ATOM 820 CD GLU A 51 11.792 11.087 -10.054 1.00 1.54 C ATOM 821 OE1 GLU A 51 12.096 12.103 -10.657 1.00 55.41 O ATOM 822 OE2 GLU A 51 12.572 10.433 -9.383 1.00 5.34 O ATOM 0 H GLU A 51 10.019 12.101 -12.868 1.00 50.13 H new ATOM 0 HA GLU A 51 12.021 10.124 -12.068 1.00 55.43 H new ATOM 0 HB2 GLU A 51 9.140 10.952 -11.861 1.00 43.52 H new ATOM 0 HB3 GLU A 51 9.472 9.261 -11.544 1.00 43.52 H new ATOM 0 HG2 GLU A 51 9.677 11.375 -9.755 1.00 4.34 H new ATOM 0 HG3 GLU A 51 10.213 9.725 -9.509 1.00 4.34 H new ATOM 829 N ALA A 52 9.540 9.341 -14.040 1.00 54.51 N ATOM 830 CA ALA A 52 9.161 8.444 -15.129 1.00 13.24 C ATOM 831 C ALA A 52 10.263 8.586 -16.131 1.00 24.55 C ATOM 832 O ALA A 52 11.037 7.730 -16.448 1.00 32.25 O ATOM 833 CB ALA A 52 7.896 9.057 -15.675 1.00 42.30 C ATOM 0 H ALA A 52 8.808 9.979 -13.727 1.00 54.51 H new ATOM 0 HA ALA A 52 9.014 7.398 -14.860 1.00 13.24 H new ATOM 0 HB1 ALA A 52 7.527 8.453 -16.504 1.00 42.30 H new ATOM 0 HB2 ALA A 52 7.141 9.094 -14.890 1.00 42.30 H new ATOM 0 HB3 ALA A 52 8.104 10.068 -16.027 1.00 42.30 H new ATOM 839 N TRP A 53 10.375 9.717 -16.554 1.00 2.42 N ATOM 840 CA TRP A 53 11.431 10.043 -17.460 1.00 43.44 C ATOM 841 C TRP A 53 12.748 9.496 -16.916 1.00 63.52 C ATOM 842 O TRP A 53 13.548 8.965 -17.648 1.00 5.10 O ATOM 843 CB TRP A 53 11.393 11.534 -17.467 1.00 10.21 C ATOM 844 CG TRP A 53 12.453 11.949 -18.347 1.00 24.20 C ATOM 845 CD1 TRP A 53 13.436 12.798 -18.071 1.00 75.21 C ATOM 846 CD2 TRP A 53 12.656 11.461 -19.641 1.00 65.14 C ATOM 847 NE1 TRP A 53 14.279 12.845 -19.164 1.00 42.25 N ATOM 848 CE2 TRP A 53 13.813 12.017 -20.167 1.00 21.52 C ATOM 849 CE3 TRP A 53 11.923 10.576 -20.393 1.00 14.42 C ATOM 850 CZ2 TRP A 53 14.234 11.681 -21.428 1.00 50.34 C ATOM 851 CZ3 TRP A 53 12.314 10.236 -21.640 1.00 24.43 C ATOM 852 CH2 TRP A 53 13.486 10.778 -22.181 1.00 23.24 C ATOM 0 H TRP A 53 9.757 10.492 -16.312 1.00 2.42 H new ATOM 0 HA TRP A 53 11.331 9.623 -18.461 1.00 43.44 H new ATOM 0 HB2 TRP A 53 10.428 11.899 -17.818 1.00 10.21 H new ATOM 0 HB3 TRP A 53 11.539 11.934 -16.463 1.00 10.21 H new ATOM 0 HD1 TRP A 53 13.555 13.354 -17.153 1.00 75.21 H new ATOM 0 HE1 TRP A 53 15.126 13.411 -19.222 1.00 42.25 H new ATOM 0 HE3 TRP A 53 11.022 10.146 -19.982 1.00 14.42 H new ATOM 0 HZ2 TRP A 53 15.137 12.112 -21.834 1.00 50.34 H new ATOM 0 HZ3 TRP A 53 11.722 9.545 -22.221 1.00 24.43 H new ATOM 0 HH2 TRP A 53 13.808 10.499 -23.173 1.00 23.24 H new ATOM 863 N GLU A 54 12.948 9.535 -15.628 1.00 14.41 N ATOM 864 CA GLU A 54 14.184 8.917 -15.099 1.00 12.13 C ATOM 865 C GLU A 54 14.125 7.483 -15.545 1.00 11.53 C ATOM 866 O GLU A 54 14.872 7.045 -16.375 1.00 42.31 O ATOM 867 CB GLU A 54 14.054 8.945 -13.573 1.00 33.33 C ATOM 868 CG GLU A 54 15.426 8.748 -12.943 1.00 72.20 C ATOM 869 CD GLU A 54 16.110 10.102 -12.743 1.00 62.44 C ATOM 870 OE1 GLU A 54 15.985 10.942 -13.619 1.00 0.44 O ATOM 871 OE2 GLU A 54 16.749 10.274 -11.718 1.00 65.11 O ATOM 0 H GLU A 54 12.325 9.957 -14.939 1.00 14.41 H new ATOM 0 HA GLU A 54 15.099 9.411 -15.425 1.00 12.13 H new ATOM 0 HB2 GLU A 54 13.627 9.895 -13.251 1.00 33.33 H new ATOM 0 HB3 GLU A 54 13.374 8.161 -13.241 1.00 33.33 H new ATOM 0 HG2 GLU A 54 15.325 8.237 -11.985 1.00 72.20 H new ATOM 0 HG3 GLU A 54 16.040 8.112 -13.581 1.00 72.20 H new ATOM 878 N VAL A 55 13.154 6.794 -15.023 1.00 73.20 N ATOM 879 CA VAL A 55 12.908 5.379 -15.385 1.00 21.10 C ATOM 880 C VAL A 55 12.834 5.192 -16.845 1.00 32.30 C ATOM 881 O VAL A 55 13.592 4.469 -17.439 1.00 4.10 O ATOM 882 CB VAL A 55 11.531 5.003 -14.821 1.00 45.02 C ATOM 883 CG1 VAL A 55 11.616 4.315 -13.484 1.00 64.32 C ATOM 884 CG2 VAL A 55 10.670 6.178 -14.630 1.00 3.45 C ATOM 0 H VAL A 55 12.499 7.169 -14.337 1.00 73.20 H new ATOM 0 HA VAL A 55 13.722 4.771 -14.990 1.00 21.10 H new ATOM 0 HB VAL A 55 11.110 4.329 -15.567 1.00 45.02 H new ATOM 0 HG11 VAL A 55 10.612 4.073 -13.135 1.00 64.32 H new ATOM 0 HG12 VAL A 55 12.197 3.398 -13.583 1.00 64.32 H new ATOM 0 HG13 VAL A 55 12.101 4.975 -12.765 1.00 64.32 H new ATOM 0 HG21 VAL A 55 9.707 5.862 -14.229 1.00 3.45 H new ATOM 0 HG22 VAL A 55 11.145 6.867 -13.932 1.00 3.45 H new ATOM 0 HG23 VAL A 55 10.519 6.678 -15.587 1.00 3.45 H new ATOM 894 N LEU A 56 11.914 5.835 -17.402 1.00 40.04 N ATOM 895 CA LEU A 56 11.690 5.723 -18.827 1.00 60.21 C ATOM 896 C LEU A 56 12.968 6.048 -19.578 1.00 73.44 C ATOM 897 O LEU A 56 13.344 5.374 -20.516 1.00 22.04 O ATOM 898 CB LEU A 56 10.575 6.708 -19.084 1.00 72.43 C ATOM 899 CG LEU A 56 9.463 6.531 -18.057 1.00 4.00 C ATOM 900 CD1 LEU A 56 8.207 7.140 -18.570 1.00 64.11 C ATOM 901 CD2 LEU A 56 9.251 5.078 -17.756 1.00 71.41 C ATOM 0 H LEU A 56 11.275 6.464 -16.916 1.00 40.04 H new ATOM 0 HA LEU A 56 11.416 4.724 -19.166 1.00 60.21 H new ATOM 0 HB2 LEU A 56 10.962 7.726 -19.038 1.00 72.43 H new ATOM 0 HB3 LEU A 56 10.177 6.563 -20.089 1.00 72.43 H new ATOM 0 HG LEU A 56 9.752 7.032 -17.133 1.00 4.00 H new ATOM 0 HD11 LEU A 56 7.413 7.012 -17.834 1.00 64.11 H new ATOM 0 HD12 LEU A 56 8.366 8.203 -18.751 1.00 64.11 H new ATOM 0 HD13 LEU A 56 7.920 6.652 -19.501 1.00 64.11 H new ATOM 0 HD21 LEU A 56 8.453 4.971 -17.021 1.00 71.41 H new ATOM 0 HD22 LEU A 56 8.974 4.554 -18.671 1.00 71.41 H new ATOM 0 HD23 LEU A 56 10.171 4.651 -17.357 1.00 71.41 H new ATOM 913 N SER A 57 13.661 7.048 -19.143 1.00 21.23 N ATOM 914 CA SER A 57 14.956 7.384 -19.809 1.00 24.40 C ATOM 915 C SER A 57 16.057 6.490 -19.229 1.00 41.15 C ATOM 916 O SER A 57 17.147 6.403 -19.758 1.00 53.22 O ATOM 917 CB SER A 57 15.230 8.855 -19.503 1.00 14.14 C ATOM 918 OG SER A 57 15.809 8.966 -18.209 1.00 35.53 O ATOM 0 H SER A 57 13.399 7.650 -18.362 1.00 21.23 H new ATOM 0 HA SER A 57 14.923 7.221 -20.886 1.00 24.40 H new ATOM 0 HB2 SER A 57 15.902 9.275 -20.252 1.00 14.14 H new ATOM 0 HB3 SER A 57 14.303 9.427 -19.550 1.00 14.14 H new ATOM 0 HG SER A 57 15.206 8.571 -17.546 1.00 35.53 H new ATOM 924 N ASP A 58 15.766 5.811 -18.148 1.00 43.55 N ATOM 925 CA ASP A 58 16.774 4.905 -17.530 1.00 45.34 C ATOM 926 C ASP A 58 16.515 3.478 -17.979 1.00 42.03 C ATOM 927 O ASP A 58 15.558 2.861 -17.559 1.00 23.12 O ATOM 928 CB ASP A 58 16.556 4.973 -16.014 1.00 11.01 C ATOM 929 CG ASP A 58 17.889 5.238 -15.312 1.00 2.43 C ATOM 930 OD1 ASP A 58 18.868 4.612 -15.685 1.00 5.44 O ATOM 931 OD2 ASP A 58 17.909 6.062 -14.413 1.00 21.24 O ATOM 0 H ASP A 58 14.868 5.848 -17.666 1.00 43.55 H new ATOM 0 HA ASP A 58 17.785 5.198 -17.814 1.00 45.34 H new ATOM 0 HB2 ASP A 58 15.845 5.763 -15.774 1.00 11.01 H new ATOM 0 HB3 ASP A 58 16.126 4.038 -15.657 1.00 11.01 H new ATOM 936 N GLU A 59 17.350 2.928 -18.803 1.00 23.14 N ATOM 937 CA GLU A 59 17.108 1.528 -19.215 1.00 71.35 C ATOM 938 C GLU A 59 16.863 0.694 -17.952 1.00 14.25 C ATOM 939 O GLU A 59 16.115 -0.267 -17.958 1.00 31.13 O ATOM 940 CB GLU A 59 18.384 1.094 -19.957 1.00 1.34 C ATOM 941 CG GLU A 59 19.386 0.464 -18.983 1.00 73.43 C ATOM 942 CD GLU A 59 20.675 0.121 -19.732 1.00 52.13 C ATOM 943 OE1 GLU A 59 21.106 0.935 -20.532 1.00 73.42 O ATOM 944 OE2 GLU A 59 21.209 -0.949 -19.493 1.00 43.21 O ATOM 0 H GLU A 59 18.174 3.376 -19.203 1.00 23.14 H new ATOM 0 HA GLU A 59 16.239 1.403 -19.861 1.00 71.35 H new ATOM 0 HB2 GLU A 59 18.131 0.379 -20.740 1.00 1.34 H new ATOM 0 HB3 GLU A 59 18.837 1.956 -20.447 1.00 1.34 H new ATOM 0 HG2 GLU A 59 19.599 1.154 -18.167 1.00 73.43 H new ATOM 0 HG3 GLU A 59 18.961 -0.435 -18.538 1.00 73.43 H new ATOM 951 N GLN A 60 17.465 1.085 -16.852 1.00 0.11 N ATOM 952 CA GLN A 60 17.256 0.334 -15.591 1.00 61.42 C ATOM 953 C GLN A 60 15.947 0.768 -14.956 1.00 65.31 C ATOM 954 O GLN A 60 15.019 -0.003 -14.853 1.00 72.32 O ATOM 955 CB GLN A 60 18.439 0.694 -14.696 1.00 62.32 C ATOM 956 CG GLN A 60 19.005 -0.589 -14.090 1.00 43.42 C ATOM 957 CD GLN A 60 20.097 -0.242 -13.075 1.00 42.41 C ATOM 958 OE1 GLN A 60 20.438 -1.050 -12.234 1.00 15.10 O ATOM 959 NE2 GLN A 60 20.664 0.934 -13.115 1.00 60.23 N ATOM 0 H GLN A 60 18.088 1.890 -16.782 1.00 0.11 H new ATOM 0 HA GLN A 60 17.200 -0.743 -15.752 1.00 61.42 H new ATOM 0 HB2 GLN A 60 19.206 1.209 -15.274 1.00 62.32 H new ATOM 0 HB3 GLN A 60 18.122 1.376 -13.907 1.00 62.32 H new ATOM 0 HG2 GLN A 60 18.210 -1.155 -13.604 1.00 43.42 H new ATOM 0 HG3 GLN A 60 19.414 -1.224 -14.876 1.00 43.42 H new ATOM 0 HE21 GLN A 60 20.379 1.614 -13.820 1.00 60.23 H new ATOM 0 HE22 GLN A 60 21.392 1.173 -12.441 1.00 60.23 H new ATOM 968 N ARG A 61 15.837 1.994 -14.532 1.00 20.10 N ATOM 969 CA ARG A 61 14.549 2.395 -13.931 1.00 33.22 C ATOM 970 C ARG A 61 13.428 2.097 -14.928 1.00 62.41 C ATOM 971 O ARG A 61 12.426 1.564 -14.550 1.00 10.01 O ATOM 972 CB ARG A 61 14.628 3.875 -13.588 1.00 11.31 C ATOM 973 CG ARG A 61 15.477 4.081 -12.380 1.00 53.44 C ATOM 974 CD ARG A 61 14.911 3.245 -11.231 1.00 23.53 C ATOM 975 NE ARG A 61 14.803 4.182 -10.079 1.00 43.23 N ATOM 976 CZ ARG A 61 13.693 4.244 -9.394 1.00 71.24 C ATOM 977 NH1 ARG A 61 12.981 3.167 -9.205 1.00 14.35 N ATOM 978 NH2 ARG A 61 13.294 5.383 -8.897 1.00 52.05 N ATOM 0 H ARG A 61 16.560 2.712 -14.575 1.00 20.10 H new ATOM 0 HA ARG A 61 14.339 1.839 -13.017 1.00 33.22 H new ATOM 0 HB2 ARG A 61 15.042 4.429 -14.431 1.00 11.31 H new ATOM 0 HB3 ARG A 61 13.627 4.268 -13.409 1.00 11.31 H new ATOM 0 HG2 ARG A 61 16.506 3.789 -12.588 1.00 53.44 H new ATOM 0 HG3 ARG A 61 15.494 5.136 -12.106 1.00 53.44 H new ATOM 0 HD2 ARG A 61 13.938 2.827 -11.491 1.00 23.53 H new ATOM 0 HD3 ARG A 61 15.566 2.406 -10.995 1.00 23.53 H new ATOM 0 HE ARG A 61 15.594 4.774 -9.826 1.00 43.23 H new ATOM 0 HH11 ARG A 61 13.291 2.276 -9.592 1.00 14.35 H new ATOM 0 HH12 ARG A 61 12.114 3.216 -8.670 1.00 14.35 H new ATOM 0 HH21 ARG A 61 13.849 6.226 -9.044 1.00 52.05 H new ATOM 0 HH22 ARG A 61 12.427 5.430 -8.362 1.00 52.05 H new ATOM 992 N ARG A 62 13.561 2.378 -16.207 1.00 14.44 N ATOM 993 CA ARG A 62 12.416 1.975 -17.085 1.00 43.21 C ATOM 994 C ARG A 62 12.297 0.464 -16.950 1.00 71.03 C ATOM 995 O ARG A 62 11.225 -0.077 -16.886 1.00 73.44 O ATOM 996 CB ARG A 62 12.699 2.292 -18.548 1.00 1.01 C ATOM 997 CG ARG A 62 11.336 2.338 -19.249 1.00 5.11 C ATOM 998 CD ARG A 62 11.521 2.168 -20.758 1.00 64.34 C ATOM 999 NE ARG A 62 10.981 0.815 -21.059 1.00 31.32 N ATOM 1000 CZ ARG A 62 10.325 0.607 -22.166 1.00 71.11 C ATOM 1001 NH1 ARG A 62 10.971 0.474 -23.292 1.00 73.43 N ATOM 1002 NH2 ARG A 62 9.022 0.533 -22.148 1.00 13.53 N ATOM 0 H ARG A 62 14.354 2.836 -16.656 1.00 14.44 H new ATOM 0 HA ARG A 62 11.513 2.509 -16.789 1.00 43.21 H new ATOM 0 HB2 ARG A 62 13.219 3.245 -18.646 1.00 1.01 H new ATOM 0 HB3 ARG A 62 13.340 1.532 -18.994 1.00 1.01 H new ATOM 0 HG2 ARG A 62 10.691 1.549 -18.862 1.00 5.11 H new ATOM 0 HG3 ARG A 62 10.841 3.286 -19.039 1.00 5.11 H new ATOM 0 HD2 ARG A 62 10.985 2.939 -21.311 1.00 64.34 H new ATOM 0 HD3 ARG A 62 12.571 2.246 -21.039 1.00 64.34 H new ATOM 0 HE ARG A 62 11.124 0.050 -20.399 1.00 31.32 H new ATOM 0 HH11 ARG A 62 11.989 0.533 -23.306 1.00 73.43 H new ATOM 0 HH12 ARG A 62 10.458 0.311 -24.158 1.00 73.43 H new ATOM 0 HH21 ARG A 62 8.517 0.638 -21.268 1.00 13.53 H new ATOM 0 HH22 ARG A 62 8.508 0.370 -23.014 1.00 13.53 H new ATOM 1016 N ALA A 63 13.418 -0.228 -16.894 1.00 14.34 N ATOM 1017 CA ALA A 63 13.361 -1.707 -16.732 1.00 74.41 C ATOM 1018 C ALA A 63 12.659 -2.017 -15.415 1.00 61.42 C ATOM 1019 O ALA A 63 11.642 -2.675 -15.385 1.00 4.04 O ATOM 1020 CB ALA A 63 14.814 -2.169 -16.682 1.00 34.11 C ATOM 0 H ALA A 63 14.355 0.170 -16.953 1.00 14.34 H new ATOM 0 HA ALA A 63 12.820 -2.204 -17.537 1.00 74.41 H new ATOM 0 HB1 ALA A 63 14.848 -3.252 -16.563 1.00 34.11 H new ATOM 0 HB2 ALA A 63 15.317 -1.890 -17.608 1.00 34.11 H new ATOM 0 HB3 ALA A 63 15.317 -1.696 -15.839 1.00 34.11 H new ATOM 1026 N GLU A 64 13.172 -1.511 -14.324 1.00 13.52 N ATOM 1027 CA GLU A 64 12.498 -1.741 -13.022 1.00 35.34 C ATOM 1028 C GLU A 64 11.094 -1.163 -13.134 1.00 73.03 C ATOM 1029 O GLU A 64 10.111 -1.803 -12.806 1.00 22.21 O ATOM 1030 CB GLU A 64 13.324 -0.973 -11.989 1.00 55.45 C ATOM 1031 CG GLU A 64 14.446 -1.871 -11.464 1.00 22.25 C ATOM 1032 CD GLU A 64 15.788 -1.387 -12.014 1.00 75.13 C ATOM 1033 OE1 GLU A 64 15.999 -0.185 -12.035 1.00 21.25 O ATOM 1034 OE2 GLU A 64 16.583 -2.225 -12.406 1.00 1.51 O ATOM 0 H GLU A 64 14.024 -0.952 -14.283 1.00 13.52 H new ATOM 0 HA GLU A 64 12.425 -2.792 -12.743 1.00 35.34 H new ATOM 0 HB2 GLU A 64 13.744 -0.074 -12.439 1.00 55.45 H new ATOM 0 HB3 GLU A 64 12.687 -0.650 -11.166 1.00 55.45 H new ATOM 0 HG2 GLU A 64 14.460 -1.853 -10.374 1.00 22.25 H new ATOM 0 HG3 GLU A 64 14.270 -2.904 -11.764 1.00 22.25 H new ATOM 1041 N TYR A 65 10.991 0.040 -13.639 1.00 21.30 N ATOM 1042 CA TYR A 65 9.662 0.644 -13.817 1.00 75.21 C ATOM 1043 C TYR A 65 8.806 -0.340 -14.581 1.00 44.12 C ATOM 1044 O TYR A 65 7.752 -0.764 -14.163 1.00 41.51 O ATOM 1045 CB TYR A 65 9.875 1.879 -14.709 1.00 55.50 C ATOM 1046 CG TYR A 65 8.542 2.433 -14.994 1.00 41.33 C ATOM 1047 CD1 TYR A 65 7.666 2.566 -13.940 1.00 3.13 C ATOM 1048 CD2 TYR A 65 8.165 2.813 -16.289 1.00 61.45 C ATOM 1049 CE1 TYR A 65 6.417 3.056 -14.150 1.00 31.22 C ATOM 1050 CE2 TYR A 65 6.892 3.325 -16.500 1.00 75.24 C ATOM 1051 CZ TYR A 65 6.008 3.443 -15.428 1.00 70.13 C ATOM 1052 OH TYR A 65 4.733 3.915 -15.638 1.00 31.14 O ATOM 0 H TYR A 65 11.777 0.620 -13.932 1.00 21.30 H new ATOM 0 HA TYR A 65 9.193 0.899 -12.867 1.00 75.21 H new ATOM 0 HB2 TYR A 65 10.500 2.616 -14.205 1.00 55.50 H new ATOM 0 HB3 TYR A 65 10.385 1.605 -15.632 1.00 55.50 H new ATOM 0 HD1 TYR A 65 7.973 2.280 -12.945 1.00 3.13 H new ATOM 0 HD2 TYR A 65 8.856 2.709 -17.112 1.00 61.45 H new ATOM 0 HE1 TYR A 65 5.733 3.147 -13.320 1.00 31.22 H new ATOM 0 HE2 TYR A 65 6.588 3.631 -17.490 1.00 75.24 H new ATOM 0 HH TYR A 65 4.143 3.169 -15.874 1.00 31.14 H new ATOM 1062 N ASP A 66 9.297 -0.707 -15.705 1.00 71.44 N ATOM 1063 CA ASP A 66 8.574 -1.685 -16.566 1.00 71.53 C ATOM 1064 C ASP A 66 8.449 -3.030 -15.845 1.00 1.32 C ATOM 1065 O ASP A 66 7.526 -3.785 -16.073 1.00 22.12 O ATOM 1066 CB ASP A 66 9.439 -1.830 -17.818 1.00 24.22 C ATOM 1067 CG ASP A 66 9.256 -0.602 -18.711 1.00 14.33 C ATOM 1068 OD1 ASP A 66 8.874 0.433 -18.190 1.00 65.33 O ATOM 1069 OD2 ASP A 66 9.501 -0.718 -19.900 1.00 24.44 O ATOM 0 H ASP A 66 10.183 -0.374 -16.084 1.00 71.44 H new ATOM 0 HA ASP A 66 7.563 -1.355 -16.805 1.00 71.53 H new ATOM 0 HB2 ASP A 66 10.487 -1.936 -17.538 1.00 24.22 H new ATOM 0 HB3 ASP A 66 9.161 -2.733 -18.362 1.00 24.22 H new ATOM 1074 N GLN A 67 9.376 -3.334 -14.978 1.00 44.35 N ATOM 1075 CA GLN A 67 9.317 -4.628 -14.241 1.00 12.22 C ATOM 1076 C GLN A 67 8.076 -4.664 -13.350 1.00 65.45 C ATOM 1077 O GLN A 67 7.355 -5.642 -13.313 1.00 74.34 O ATOM 1078 CB GLN A 67 10.592 -4.661 -13.397 1.00 53.31 C ATOM 1079 CG GLN A 67 10.741 -6.041 -12.753 1.00 41.11 C ATOM 1080 CD GLN A 67 12.222 -6.337 -12.510 1.00 75.53 C ATOM 1081 OE1 GLN A 67 13.026 -6.258 -13.417 1.00 70.03 O ATOM 1082 NE2 GLN A 67 12.619 -6.678 -11.315 1.00 24.13 N ATOM 0 H GLN A 67 10.173 -2.741 -14.748 1.00 44.35 H new ATOM 0 HA GLN A 67 9.253 -5.487 -14.909 1.00 12.22 H new ATOM 0 HB2 GLN A 67 11.459 -4.443 -14.020 1.00 53.31 H new ATOM 0 HB3 GLN A 67 10.551 -3.891 -12.627 1.00 53.31 H new ATOM 0 HG2 GLN A 67 10.194 -6.075 -11.811 1.00 41.11 H new ATOM 0 HG3 GLN A 67 10.309 -6.804 -13.400 1.00 41.11 H new ATOM 0 HE21 GLN A 67 11.944 -6.744 -10.553 1.00 24.13 H new ATOM 0 HE22 GLN A 67 13.604 -6.878 -11.143 1.00 24.13 H new ATOM 1091 N MET A 68 7.809 -3.600 -12.643 1.00 51.45 N ATOM 1092 CA MET A 68 6.589 -3.589 -11.770 1.00 51.35 C ATOM 1093 C MET A 68 5.346 -3.396 -12.644 1.00 32.43 C ATOM 1094 O MET A 68 4.298 -3.954 -12.386 1.00 50.40 O ATOM 1095 CB MET A 68 6.707 -2.424 -10.754 1.00 34.42 C ATOM 1096 CG MET A 68 7.989 -1.603 -10.948 1.00 65.42 C ATOM 1097 SD MET A 68 8.058 -0.283 -9.706 1.00 33.13 S ATOM 1098 CE MET A 68 7.632 1.092 -10.805 1.00 15.21 C ATOM 0 H MET A 68 8.370 -2.748 -12.628 1.00 51.45 H new ATOM 0 HA MET A 68 6.505 -4.533 -11.231 1.00 51.35 H new ATOM 0 HB2 MET A 68 5.841 -1.769 -10.855 1.00 34.42 H new ATOM 0 HB3 MET A 68 6.687 -2.826 -9.741 1.00 34.42 H new ATOM 0 HG2 MET A 68 8.863 -2.248 -10.857 1.00 65.42 H new ATOM 0 HG3 MET A 68 8.011 -1.175 -11.950 1.00 65.42 H new ATOM 0 HE1 MET A 68 8.365 1.890 -10.690 1.00 15.21 H new ATOM 0 HE2 MET A 68 7.632 0.745 -11.838 1.00 15.21 H new ATOM 0 HE3 MET A 68 6.642 1.469 -10.549 1.00 15.21 H new ATOM 1108 N TRP A 69 5.458 -2.604 -13.677 1.00 54.41 N ATOM 1109 CA TRP A 69 4.285 -2.365 -14.573 1.00 72.33 C ATOM 1110 C TRP A 69 3.794 -3.688 -15.202 1.00 52.22 C ATOM 1111 O TRP A 69 3.375 -4.587 -14.501 1.00 50.10 O ATOM 1112 CB TRP A 69 4.806 -1.378 -15.624 1.00 54.15 C ATOM 1113 CG TRP A 69 3.727 -0.406 -16.008 1.00 62.23 C ATOM 1114 CD1 TRP A 69 3.902 0.932 -16.077 1.00 61.21 C ATOM 1115 CD2 TRP A 69 2.327 -0.649 -16.368 1.00 12.43 C ATOM 1116 NE1 TRP A 69 2.715 1.527 -16.457 1.00 31.42 N ATOM 1117 CE2 TRP A 69 1.716 0.598 -16.650 1.00 62.02 C ATOM 1118 CE3 TRP A 69 1.535 -1.808 -16.480 1.00 22.00 C ATOM 1119 CZ2 TRP A 69 0.375 0.690 -17.027 1.00 25.33 C ATOM 1120 CZ3 TRP A 69 0.186 -1.717 -16.859 1.00 14.31 C ATOM 1121 CH2 TRP A 69 -0.392 -0.471 -17.132 1.00 1.01 C ATOM 0 H TRP A 69 6.311 -2.111 -13.941 1.00 54.41 H new ATOM 0 HA TRP A 69 3.420 -1.966 -14.044 1.00 72.33 H new ATOM 0 HB2 TRP A 69 5.667 -0.838 -15.230 1.00 54.15 H new ATOM 0 HB3 TRP A 69 5.146 -1.921 -16.506 1.00 54.15 H new ATOM 0 HD1 TRP A 69 4.824 1.454 -15.868 1.00 61.21 H new ATOM 0 HE1 TRP A 69 2.593 2.532 -16.580 1.00 31.42 H new ATOM 0 HE3 TRP A 69 1.969 -2.775 -16.273 1.00 22.00 H new ATOM 0 HZ2 TRP A 69 -0.066 1.653 -17.236 1.00 25.33 H new ATOM 0 HZ3 TRP A 69 -0.410 -2.614 -16.941 1.00 14.31 H new ATOM 0 HH2 TRP A 69 -1.430 -0.409 -17.423 1.00 1.01 H new