USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 1 GLN N :NH3+ 175:sc= -0.585 (180deg=-0.776) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -22:sc= 1.27 USER MOD Single : A 9 SER OG : rot -13:sc= 0.481 USER MOD Single : A 13 THR OG1 : rot -32:sc= 0.0065 USER MOD Single : A 14 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.7!) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc=-0.00357 (180deg=-0.0912) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 32 HIS : no HE2:sc= 0.123 K(o=0.12,f=-3.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.141 USER MOD Single : A 39 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 141:sc= -5.57! (180deg=-9.19!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= 0.0089 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.01! C(o=-2!,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -2.58 (180deg=-4.01!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0985 (180deg=-0.425) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.508 0.074 0.283 1.00 60.14 N ATOM 2 CA GLN A 1 2.459 -0.077 -0.813 1.00 12.54 C ATOM 3 C GLN A 1 2.156 -1.329 -1.628 1.00 62.30 C ATOM 4 O GLN A 1 2.290 -1.333 -2.852 1.00 0.20 O ATOM 5 CB GLN A 1 3.888 -0.139 -0.270 1.00 72.34 C ATOM 6 CG GLN A 1 4.084 -1.195 0.805 1.00 25.33 C ATOM 7 CD GLN A 1 5.441 -1.101 1.475 1.00 43.31 C ATOM 8 OE1 GLN A 1 6.330 -0.389 1.006 1.00 53.14 O ATOM 9 NE2 GLN A 1 5.608 -1.820 2.579 1.00 45.24 N ATOM 0 H1 GLN A 1 1.784 0.885 0.873 1.00 60.14 H new ATOM 0 H2 GLN A 1 0.556 0.236 -0.103 1.00 60.14 H new ATOM 0 H3 GLN A 1 1.505 -0.790 0.861 1.00 60.14 H new ATOM 0 HA GLN A 1 2.364 0.790 -1.466 1.00 12.54 H new ATOM 0 HB2 GLN A 1 4.573 -0.340 -1.094 1.00 72.34 H new ATOM 0 HB3 GLN A 1 4.156 0.836 0.137 1.00 72.34 H new ATOM 0 HG2 GLN A 1 3.303 -1.090 1.558 1.00 25.33 H new ATOM 0 HG3 GLN A 1 3.969 -2.184 0.362 1.00 25.33 H new ATOM 0 HE21 GLN A 1 4.844 -2.396 2.933 1.00 45.24 H new ATOM 0 HE22 GLN A 1 6.500 -1.796 3.073 1.00 45.24 H new ATOM 18 N TYR A 2 1.748 -2.391 -0.942 1.00 64.21 N ATOM 19 CA TYR A 2 1.430 -3.651 -1.603 1.00 34.44 C ATOM 20 C TYR A 2 0.407 -4.446 -0.796 1.00 54.41 C ATOM 21 O TYR A 2 -0.068 -3.993 0.246 1.00 41.32 O ATOM 22 CB TYR A 2 2.698 -4.484 -1.799 1.00 52.42 C ATOM 23 CG TYR A 2 3.574 -3.994 -2.930 1.00 3.34 C ATOM 24 CD1 TYR A 2 3.341 -4.395 -4.239 1.00 53.55 C ATOM 25 CD2 TYR A 2 4.636 -3.131 -2.688 1.00 64.32 C ATOM 26 CE1 TYR A 2 4.139 -3.950 -5.276 1.00 22.24 C ATOM 27 CE2 TYR A 2 5.439 -2.681 -3.718 1.00 41.32 C ATOM 28 CZ TYR A 2 5.187 -3.093 -5.010 1.00 33.10 C ATOM 29 OH TYR A 2 5.985 -2.648 -6.039 1.00 11.34 O ATOM 0 H TYR A 2 1.630 -2.404 0.071 1.00 64.21 H new ATOM 0 HA TYR A 2 1.000 -3.421 -2.578 1.00 34.44 H new ATOM 0 HB2 TYR A 2 3.275 -4.476 -0.874 1.00 52.42 H new ATOM 0 HB3 TYR A 2 2.417 -5.520 -1.991 1.00 52.42 H new ATOM 0 HD1 TYR A 2 2.522 -5.066 -4.450 1.00 53.55 H new ATOM 0 HD2 TYR A 2 4.837 -2.807 -1.678 1.00 64.32 H new ATOM 0 HE1 TYR A 2 3.943 -4.271 -6.288 1.00 22.24 H new ATOM 0 HE2 TYR A 2 6.260 -2.010 -3.513 1.00 41.32 H new ATOM 0 HH TYR A 2 6.676 -2.051 -5.683 1.00 11.34 H new ATOM 39 N LYS A 3 0.071 -5.635 -1.285 1.00 43.55 N ATOM 40 CA LYS A 3 -0.893 -6.495 -0.612 1.00 35.43 C ATOM 41 C LYS A 3 -0.188 -7.492 0.302 1.00 30.23 C ATOM 42 O LYS A 3 0.688 -8.238 -0.136 1.00 61.14 O ATOM 43 CB LYS A 3 -1.745 -7.244 -1.640 1.00 11.14 C ATOM 44 CG LYS A 3 -2.857 -8.073 -1.020 1.00 40.13 C ATOM 45 CD LYS A 3 -3.921 -8.432 -2.044 1.00 21.31 C ATOM 46 CE LYS A 3 -5.296 -8.539 -1.404 1.00 35.51 C ATOM 47 NZ LYS A 3 -5.622 -9.941 -1.020 1.00 51.01 N ATOM 0 H LYS A 3 0.453 -6.025 -2.147 1.00 43.55 H new ATOM 0 HA LYS A 3 -1.540 -5.865 -0.002 1.00 35.43 H new ATOM 0 HB2 LYS A 3 -2.182 -6.523 -2.331 1.00 11.14 H new ATOM 0 HB3 LYS A 3 -1.100 -7.898 -2.227 1.00 11.14 H new ATOM 0 HG2 LYS A 3 -2.438 -8.985 -0.594 1.00 40.13 H new ATOM 0 HG3 LYS A 3 -3.312 -7.518 -0.200 1.00 40.13 H new ATOM 0 HD2 LYS A 3 -3.942 -7.676 -2.829 1.00 21.31 H new ATOM 0 HD3 LYS A 3 -3.665 -9.379 -2.520 1.00 21.31 H new ATOM 0 HE2 LYS A 3 -5.336 -7.902 -0.520 1.00 35.51 H new ATOM 0 HE3 LYS A 3 -6.050 -8.168 -2.099 1.00 35.51 H new ATOM 0 HZ1 LYS A 3 -6.567 -9.972 -0.587 1.00 51.01 H new ATOM 0 HZ2 LYS A 3 -5.609 -10.545 -1.867 1.00 51.01 H new ATOM 0 HZ3 LYS A 3 -4.918 -10.287 -0.338 1.00 51.01 H new ATOM 61 N ILE A 4 -0.576 -7.500 1.573 1.00 73.31 N ATOM 62 CA ILE A 4 0.018 -8.408 2.547 1.00 54.41 C ATOM 63 C ILE A 4 -0.421 -9.846 2.297 1.00 63.55 C ATOM 64 O ILE A 4 -1.515 -10.251 2.691 1.00 3.21 O ATOM 65 CB ILE A 4 -0.358 -8.012 3.987 1.00 2.32 C ATOM 66 CG1 ILE A 4 -0.017 -6.542 4.240 1.00 13.45 C ATOM 67 CG2 ILE A 4 0.359 -8.907 4.987 1.00 43.04 C ATOM 68 CD1 ILE A 4 1.461 -6.237 4.135 1.00 14.01 C ATOM 0 H ILE A 4 -1.299 -6.888 1.952 1.00 73.31 H new ATOM 0 HA ILE A 4 1.099 -8.335 2.428 1.00 54.41 H new ATOM 0 HB ILE A 4 -1.432 -8.144 4.116 1.00 2.32 H new ATOM 0 HG12 ILE A 4 -0.559 -5.924 3.525 1.00 13.45 H new ATOM 0 HG13 ILE A 4 -0.368 -6.262 5.233 1.00 13.45 H new ATOM 0 HG21 ILE A 4 0.083 -8.615 6.000 1.00 43.04 H new ATOM 0 HG22 ILE A 4 0.072 -9.945 4.818 1.00 43.04 H new ATOM 0 HG23 ILE A 4 1.437 -8.804 4.860 1.00 43.04 H new ATOM 0 HD11 ILE A 4 1.628 -5.177 4.326 1.00 14.01 H new ATOM 0 HD12 ILE A 4 2.008 -6.829 4.869 1.00 14.01 H new ATOM 0 HD13 ILE A 4 1.813 -6.485 3.134 1.00 14.01 H new ATOM 80 N TYR A 5 0.441 -10.616 1.640 1.00 14.41 N ATOM 81 CA TYR A 5 0.143 -12.010 1.336 1.00 34.12 C ATOM 82 C TYR A 5 0.668 -12.931 2.433 1.00 25.10 C ATOM 83 O TYR A 5 1.538 -12.564 3.224 1.00 60.14 O ATOM 84 CB TYR A 5 0.753 -12.402 -0.010 1.00 73.25 C ATOM 85 CG TYR A 5 -0.154 -12.128 -1.189 1.00 1.31 C ATOM 86 CD1 TYR A 5 -1.460 -12.601 -1.211 1.00 11.40 C ATOM 87 CD2 TYR A 5 0.296 -11.394 -2.280 1.00 73.32 C ATOM 88 CE1 TYR A 5 -2.291 -12.353 -2.286 1.00 15.20 C ATOM 89 CE2 TYR A 5 -0.529 -11.140 -3.359 1.00 32.31 C ATOM 90 CZ TYR A 5 -1.822 -11.622 -3.357 1.00 64.03 C ATOM 91 OH TYR A 5 -2.647 -11.372 -4.429 1.00 51.24 O ATOM 0 H TYR A 5 1.351 -10.297 1.308 1.00 14.41 H new ATOM 0 HA TYR A 5 -0.940 -12.120 1.282 1.00 34.12 H new ATOM 0 HB2 TYR A 5 1.688 -11.859 -0.148 1.00 73.25 H new ATOM 0 HB3 TYR A 5 1.001 -13.463 0.008 1.00 73.25 H new ATOM 0 HD1 TYR A 5 -1.832 -13.172 -0.373 1.00 11.40 H new ATOM 0 HD2 TYR A 5 1.308 -11.016 -2.285 1.00 73.32 H new ATOM 0 HE1 TYR A 5 -3.303 -12.730 -2.288 1.00 15.20 H new ATOM 0 HE2 TYR A 5 -0.164 -10.568 -4.199 1.00 32.31 H new ATOM 0 HH TYR A 5 -3.577 -11.330 -4.123 1.00 51.24 H new ATOM 101 N PRO A 6 0.129 -14.158 2.483 1.00 61.23 N ATOM 102 CA PRO A 6 0.529 -15.159 3.477 1.00 53.23 C ATOM 103 C PRO A 6 1.941 -15.682 3.237 1.00 74.40 C ATOM 104 O PRO A 6 2.336 -15.932 2.098 1.00 55.22 O ATOM 105 CB PRO A 6 -0.497 -16.279 3.284 1.00 2.24 C ATOM 106 CG PRO A 6 -0.954 -16.136 1.874 1.00 41.03 C ATOM 107 CD PRO A 6 -0.912 -14.663 1.572 1.00 61.50 C ATOM 0 HA PRO A 6 0.547 -14.748 4.486 1.00 53.23 H new ATOM 0 HB2 PRO A 6 -0.051 -17.258 3.458 1.00 2.24 H new ATOM 0 HB3 PRO A 6 -1.328 -16.179 3.982 1.00 2.24 H new ATOM 0 HG2 PRO A 6 -0.307 -16.692 1.196 1.00 41.03 H new ATOM 0 HG3 PRO A 6 -1.962 -16.531 1.748 1.00 41.03 H new ATOM 0 HD2 PRO A 6 -0.659 -14.474 0.529 1.00 61.50 H new ATOM 0 HD3 PRO A 6 -1.875 -14.187 1.758 1.00 61.50 H new ATOM 115 N TYR A 7 2.697 -15.847 4.317 1.00 74.13 N ATOM 116 CA TYR A 7 4.066 -16.340 4.223 1.00 12.52 C ATOM 117 C TYR A 7 4.088 -17.835 3.923 1.00 34.23 C ATOM 118 O TYR A 7 5.005 -18.336 3.272 1.00 15.10 O ATOM 119 CB TYR A 7 4.821 -16.058 5.523 1.00 43.51 C ATOM 120 CG TYR A 7 6.206 -16.664 5.562 1.00 32.13 C ATOM 121 CD1 TYR A 7 7.265 -16.071 4.885 1.00 35.50 C ATOM 122 CD2 TYR A 7 6.455 -17.830 6.276 1.00 41.12 C ATOM 123 CE1 TYR A 7 8.531 -16.622 4.918 1.00 61.35 C ATOM 124 CE2 TYR A 7 7.719 -18.387 6.315 1.00 14.10 C ATOM 125 CZ TYR A 7 8.753 -17.780 5.634 1.00 1.42 C ATOM 126 OH TYR A 7 10.013 -18.332 5.670 1.00 71.23 O ATOM 0 H TYR A 7 2.385 -15.647 5.267 1.00 74.13 H new ATOM 0 HA TYR A 7 4.558 -15.817 3.403 1.00 12.52 H new ATOM 0 HB2 TYR A 7 4.901 -14.980 5.660 1.00 43.51 H new ATOM 0 HB3 TYR A 7 4.241 -16.444 6.361 1.00 43.51 H new ATOM 0 HD1 TYR A 7 7.095 -15.164 4.324 1.00 35.50 H new ATOM 0 HD2 TYR A 7 5.647 -18.309 6.809 1.00 41.12 H new ATOM 0 HE1 TYR A 7 9.343 -16.149 4.386 1.00 61.35 H new ATOM 0 HE2 TYR A 7 7.896 -19.293 6.876 1.00 14.10 H new ATOM 0 HH TYR A 7 10.527 -18.024 4.895 1.00 71.23 H new ATOM 136 N ASP A 8 3.071 -18.543 4.403 1.00 53.21 N ATOM 137 CA ASP A 8 2.970 -19.981 4.186 1.00 64.32 C ATOM 138 C ASP A 8 2.769 -20.295 2.706 1.00 2.15 C ATOM 139 O ASP A 8 3.225 -21.327 2.213 1.00 55.51 O ATOM 140 CB ASP A 8 1.817 -20.563 5.005 1.00 71.04 C ATOM 141 CG ASP A 8 0.552 -19.735 4.892 1.00 73.42 C ATOM 142 OD1 ASP A 8 -0.108 -19.802 3.834 1.00 43.34 O ATOM 143 OD2 ASP A 8 0.221 -19.021 5.861 1.00 4.44 O ATOM 0 H ASP A 8 2.305 -18.144 4.945 1.00 53.21 H new ATOM 0 HA ASP A 8 3.904 -20.439 4.512 1.00 64.32 H new ATOM 0 HB2 ASP A 8 1.614 -21.580 4.669 1.00 71.04 H new ATOM 0 HB3 ASP A 8 2.114 -20.626 6.052 1.00 71.04 H new ATOM 148 N SER A 9 2.083 -19.398 2.005 1.00 63.34 N ATOM 149 CA SER A 9 1.817 -19.582 0.583 1.00 43.43 C ATOM 150 C SER A 9 2.867 -18.867 -0.263 1.00 1.01 C ATOM 151 O SER A 9 3.126 -19.248 -1.405 1.00 71.13 O ATOM 152 CB SER A 9 0.422 -19.061 0.232 1.00 44.52 C ATOM 153 OG SER A 9 -0.465 -19.199 1.328 1.00 25.23 O ATOM 0 H SER A 9 1.702 -18.537 2.398 1.00 63.34 H new ATOM 0 HA SER A 9 1.864 -20.649 0.365 1.00 43.43 H new ATOM 0 HB2 SER A 9 0.485 -18.012 -0.059 1.00 44.52 H new ATOM 0 HB3 SER A 9 0.032 -19.607 -0.627 1.00 44.52 H new ATOM 0 HG SER A 9 -0.064 -19.787 2.002 1.00 25.23 H new ATOM 159 N LEU A 10 3.469 -17.828 0.306 1.00 32.32 N ATOM 160 CA LEU A 10 4.491 -17.059 -0.394 1.00 3.42 C ATOM 161 C LEU A 10 5.794 -17.846 -0.491 1.00 4.43 C ATOM 162 O LEU A 10 6.493 -17.787 -1.503 1.00 54.53 O ATOM 163 CB LEU A 10 4.737 -15.730 0.323 1.00 50.44 C ATOM 164 CG LEU A 10 3.911 -14.540 -0.167 1.00 74.05 C ATOM 165 CD1 LEU A 10 4.218 -13.300 0.658 1.00 32.31 C ATOM 166 CD2 LEU A 10 4.175 -14.279 -1.643 1.00 74.23 C ATOM 0 H LEU A 10 3.267 -17.499 1.250 1.00 32.32 H new ATOM 0 HA LEU A 10 4.133 -16.860 -1.404 1.00 3.42 H new ATOM 0 HB2 LEU A 10 4.539 -15.871 1.385 1.00 50.44 H new ATOM 0 HB3 LEU A 10 5.793 -15.478 0.226 1.00 50.44 H new ATOM 0 HG LEU A 10 2.855 -14.781 -0.044 1.00 74.05 H new ATOM 0 HD11 LEU A 10 3.621 -12.464 0.294 1.00 32.31 H new ATOM 0 HD12 LEU A 10 3.977 -13.490 1.704 1.00 32.31 H new ATOM 0 HD13 LEU A 10 5.277 -13.056 0.568 1.00 32.31 H new ATOM 0 HD21 LEU A 10 3.579 -13.429 -1.974 1.00 74.23 H new ATOM 0 HD22 LEU A 10 5.233 -14.060 -1.790 1.00 74.23 H new ATOM 0 HD23 LEU A 10 3.903 -15.161 -2.223 1.00 74.23 H new ATOM 178 N ILE A 11 6.114 -18.583 0.567 1.00 2.13 N ATOM 179 CA ILE A 11 7.331 -19.384 0.600 1.00 64.23 C ATOM 180 C ILE A 11 7.419 -20.300 -0.617 1.00 4.42 C ATOM 181 O ILE A 11 6.491 -21.054 -0.908 1.00 24.54 O ATOM 182 CB ILE A 11 7.409 -20.239 1.878 1.00 34.32 C ATOM 183 CG1 ILE A 11 6.106 -21.018 2.077 1.00 44.22 C ATOM 184 CG2 ILE A 11 7.696 -19.361 3.086 1.00 3.35 C ATOM 185 CD1 ILE A 11 6.109 -21.896 3.308 1.00 2.04 C ATOM 0 H ILE A 11 5.547 -18.642 1.413 1.00 2.13 H new ATOM 0 HA ILE A 11 8.168 -18.686 0.589 1.00 64.23 H new ATOM 0 HB ILE A 11 8.225 -20.953 1.770 1.00 34.32 H new ATOM 0 HG12 ILE A 11 5.278 -20.313 2.146 1.00 44.22 H new ATOM 0 HG13 ILE A 11 5.925 -21.638 1.199 1.00 44.22 H new ATOM 0 HG21 ILE A 11 7.748 -19.980 3.982 1.00 3.35 H new ATOM 0 HG22 ILE A 11 8.647 -18.847 2.944 1.00 3.35 H new ATOM 0 HG23 ILE A 11 6.899 -18.626 3.199 1.00 3.35 H new ATOM 0 HD11 ILE A 11 5.155 -22.417 3.385 1.00 2.04 H new ATOM 0 HD12 ILE A 11 6.916 -22.625 3.233 1.00 2.04 H new ATOM 0 HD13 ILE A 11 6.258 -21.279 4.194 1.00 2.04 H new ATOM 197 N VAL A 12 8.543 -20.229 -1.324 1.00 13.40 N ATOM 198 CA VAL A 12 8.754 -21.053 -2.508 1.00 1.02 C ATOM 199 C VAL A 12 8.734 -22.536 -2.156 1.00 35.14 C ATOM 200 O VAL A 12 8.477 -23.386 -3.009 1.00 54.44 O ATOM 201 CB VAL A 12 10.092 -20.718 -3.193 1.00 41.14 C ATOM 202 CG1 VAL A 12 10.225 -19.217 -3.400 1.00 40.14 C ATOM 203 CG2 VAL A 12 11.258 -21.257 -2.378 1.00 73.33 C ATOM 0 H VAL A 12 9.321 -19.609 -1.097 1.00 13.40 H new ATOM 0 HA VAL A 12 7.937 -20.834 -3.196 1.00 1.02 H new ATOM 0 HB VAL A 12 10.109 -21.199 -4.171 1.00 41.14 H new ATOM 0 HG11 VAL A 12 11.177 -19.000 -3.885 1.00 40.14 H new ATOM 0 HG12 VAL A 12 9.408 -18.863 -4.028 1.00 40.14 H new ATOM 0 HG13 VAL A 12 10.186 -18.712 -2.435 1.00 40.14 H new ATOM 0 HG21 VAL A 12 12.195 -21.011 -2.877 1.00 73.33 H new ATOM 0 HG22 VAL A 12 11.247 -20.807 -1.385 1.00 73.33 H new ATOM 0 HG23 VAL A 12 11.169 -22.340 -2.287 1.00 73.33 H new ATOM 213 N THR A 13 9.006 -22.842 -0.891 1.00 33.33 N ATOM 214 CA THR A 13 9.019 -24.223 -0.424 1.00 62.05 C ATOM 215 C THR A 13 7.639 -24.859 -0.549 1.00 4.12 C ATOM 216 O THR A 13 7.507 -26.082 -0.543 1.00 14.23 O ATOM 217 CB THR A 13 9.485 -24.317 1.041 1.00 40.42 C ATOM 218 OG1 THR A 13 9.487 -25.683 1.468 1.00 63.53 O ATOM 219 CG2 THR A 13 8.581 -23.498 1.949 1.00 14.24 C ATOM 0 H THR A 13 9.220 -22.152 -0.171 1.00 33.33 H new ATOM 0 HA THR A 13 9.723 -24.763 -1.056 1.00 62.05 H new ATOM 0 HB THR A 13 10.497 -23.916 1.104 1.00 40.42 H new ATOM 0 HG1 THR A 13 8.767 -26.169 1.014 1.00 63.53 H new ATOM 0 HG21 THR A 13 8.929 -23.579 2.979 1.00 14.24 H new ATOM 0 HG22 THR A 13 8.605 -22.453 1.639 1.00 14.24 H new ATOM 0 HG23 THR A 13 7.560 -23.874 1.881 1.00 14.24 H new ATOM 227 N ASN A 14 6.615 -24.020 -0.662 1.00 75.32 N ATOM 228 CA ASN A 14 5.244 -24.502 -0.788 1.00 54.53 C ATOM 229 C ASN A 14 4.820 -24.559 -2.253 1.00 32.12 C ATOM 230 O ASN A 14 3.659 -24.827 -2.564 1.00 1.14 O ATOM 231 CB ASN A 14 4.290 -23.598 -0.005 1.00 14.51 C ATOM 232 CG ASN A 14 3.032 -24.324 0.431 1.00 31.01 C ATOM 233 OD1 ASN A 14 1.968 -24.160 -0.166 1.00 41.33 O ATOM 234 ND2 ASN A 14 3.149 -25.133 1.478 1.00 53.30 N ATOM 0 H ASN A 14 6.708 -23.004 -0.669 1.00 75.32 H new ATOM 0 HA ASN A 14 5.200 -25.510 -0.376 1.00 54.53 H new ATOM 0 HB2 ASN A 14 4.803 -23.207 0.873 1.00 14.51 H new ATOM 0 HB3 ASN A 14 4.017 -22.742 -0.622 1.00 14.51 H new ATOM 0 HD21 ASN A 14 2.337 -25.649 1.817 1.00 53.30 H new ATOM 0 HD22 ASN A 14 4.051 -25.239 1.943 1.00 53.30 H new ATOM 241 N ARG A 15 5.769 -24.306 -3.148 1.00 71.41 N ATOM 242 CA ARG A 15 5.494 -24.329 -4.580 1.00 2.13 C ATOM 243 C ARG A 15 4.817 -25.635 -4.983 1.00 31.41 C ATOM 244 O ARG A 15 3.890 -25.641 -5.793 1.00 53.22 O ATOM 245 CB ARG A 15 6.790 -24.148 -5.372 1.00 62.22 C ATOM 246 CG ARG A 15 7.220 -22.697 -5.514 1.00 72.15 C ATOM 247 CD ARG A 15 8.677 -22.586 -5.935 1.00 71.33 C ATOM 248 NE ARG A 15 8.988 -21.271 -6.488 1.00 44.10 N ATOM 249 CZ ARG A 15 8.552 -20.848 -7.669 1.00 51.11 C ATOM 250 NH1 ARG A 15 7.789 -21.633 -8.417 1.00 52.44 N ATOM 251 NH2 ARG A 15 8.878 -19.637 -8.104 1.00 21.33 N ATOM 0 H ARG A 15 6.735 -24.083 -2.907 1.00 71.41 H new ATOM 0 HA ARG A 15 4.818 -23.505 -4.808 1.00 2.13 H new ATOM 0 HB2 ARG A 15 7.587 -24.708 -4.882 1.00 62.22 H new ATOM 0 HB3 ARG A 15 6.662 -24.579 -6.365 1.00 62.22 H new ATOM 0 HG2 ARG A 15 6.589 -22.200 -6.250 1.00 72.15 H new ATOM 0 HG3 ARG A 15 7.074 -22.179 -4.566 1.00 72.15 H new ATOM 0 HD2 ARG A 15 9.318 -22.779 -5.075 1.00 71.33 H new ATOM 0 HD3 ARG A 15 8.899 -23.353 -6.677 1.00 71.33 H new ATOM 0 HE ARG A 15 9.572 -20.642 -5.937 1.00 44.10 H new ATOM 0 HH11 ARG A 15 7.536 -22.564 -8.086 1.00 52.44 H new ATOM 0 HH12 ARG A 15 7.455 -21.306 -9.324 1.00 52.44 H new ATOM 0 HH21 ARG A 15 9.464 -19.030 -7.531 1.00 21.33 H new ATOM 0 HH22 ARG A 15 8.542 -19.314 -9.011 1.00 21.33 H new ATOM 265 N ILE A 16 5.287 -26.740 -4.413 1.00 14.22 N ATOM 266 CA ILE A 16 4.726 -28.051 -4.712 1.00 71.45 C ATOM 267 C ILE A 16 3.232 -28.093 -4.408 1.00 63.40 C ATOM 268 O ILE A 16 2.455 -28.698 -5.146 1.00 73.43 O ATOM 269 CB ILE A 16 5.433 -29.162 -3.913 1.00 52.10 C ATOM 270 CG1 ILE A 16 4.790 -30.519 -4.206 1.00 32.15 C ATOM 271 CG2 ILE A 16 5.383 -28.856 -2.424 1.00 12.14 C ATOM 272 CD1 ILE A 16 4.806 -30.892 -5.671 1.00 63.33 C ATOM 0 H ILE A 16 6.055 -26.753 -3.742 1.00 14.22 H new ATOM 0 HA ILE A 16 4.882 -28.225 -5.777 1.00 71.45 H new ATOM 0 HB ILE A 16 6.478 -29.203 -4.221 1.00 52.10 H new ATOM 0 HG12 ILE A 16 5.312 -31.289 -3.638 1.00 32.15 H new ATOM 0 HG13 ILE A 16 3.758 -30.507 -3.854 1.00 32.15 H new ATOM 0 HG21 ILE A 16 5.887 -29.650 -1.872 1.00 12.14 H new ATOM 0 HG22 ILE A 16 5.882 -27.907 -2.231 1.00 12.14 H new ATOM 0 HG23 ILE A 16 4.344 -28.792 -2.100 1.00 12.14 H new ATOM 0 HD11 ILE A 16 4.334 -31.865 -5.804 1.00 63.33 H new ATOM 0 HD12 ILE A 16 4.259 -30.143 -6.243 1.00 63.33 H new ATOM 0 HD13 ILE A 16 5.836 -30.937 -6.024 1.00 63.33 H new ATOM 284 N ARG A 17 2.838 -27.445 -3.317 1.00 30.21 N ATOM 285 CA ARG A 17 1.437 -27.408 -2.915 1.00 1.22 C ATOM 286 C ARG A 17 0.692 -26.293 -3.643 1.00 71.24 C ATOM 287 O ARG A 17 -0.170 -26.554 -4.483 1.00 45.33 O ATOM 288 CB ARG A 17 1.324 -27.208 -1.402 1.00 53.24 C ATOM 289 CG ARG A 17 2.280 -28.075 -0.600 1.00 34.30 C ATOM 290 CD ARG A 17 2.112 -29.548 -0.938 1.00 65.44 C ATOM 291 NE ARG A 17 0.749 -30.014 -0.698 1.00 62.01 N ATOM 292 CZ ARG A 17 0.329 -31.240 -0.989 1.00 65.30 C ATOM 293 NH1 ARG A 17 1.163 -32.120 -1.528 1.00 11.54 N ATOM 294 NH2 ARG A 17 -0.926 -31.589 -0.741 1.00 34.33 N ATOM 0 H ARG A 17 3.469 -26.939 -2.696 1.00 30.21 H new ATOM 0 HA ARG A 17 0.982 -28.361 -3.184 1.00 1.22 H new ATOM 0 HB2 ARG A 17 1.513 -26.160 -1.167 1.00 53.24 H new ATOM 0 HB3 ARG A 17 0.302 -27.425 -1.091 1.00 53.24 H new ATOM 0 HG2 ARG A 17 3.307 -27.769 -0.801 1.00 34.30 H new ATOM 0 HG3 ARG A 17 2.105 -27.923 0.465 1.00 34.30 H new ATOM 0 HD2 ARG A 17 2.372 -29.712 -1.984 1.00 65.44 H new ATOM 0 HD3 ARG A 17 2.807 -30.138 -0.341 1.00 65.44 H new ATOM 0 HE ARG A 17 0.083 -29.362 -0.284 1.00 62.01 H new ATOM 0 HH11 ARG A 17 2.129 -31.856 -1.720 1.00 11.54 H new ATOM 0 HH12 ARG A 17 0.838 -33.061 -1.750 1.00 11.54 H new ATOM 0 HH21 ARG A 17 -1.570 -30.916 -0.326 1.00 34.33 H new ATOM 0 HH22 ARG A 17 -1.247 -32.531 -0.965 1.00 34.33 H new ATOM 308 N VAL A 18 1.029 -25.050 -3.315 1.00 44.03 N ATOM 309 CA VAL A 18 0.393 -23.895 -3.938 1.00 62.43 C ATOM 310 C VAL A 18 1.433 -22.917 -4.474 1.00 30.43 C ATOM 311 O VAL A 18 2.518 -22.776 -3.909 1.00 32.10 O ATOM 312 CB VAL A 18 -0.526 -23.158 -2.947 1.00 33.24 C ATOM 313 CG1 VAL A 18 0.293 -22.502 -1.845 1.00 74.43 C ATOM 314 CG2 VAL A 18 -1.377 -22.129 -3.674 1.00 55.34 C ATOM 0 H VAL A 18 1.739 -24.817 -2.621 1.00 44.03 H new ATOM 0 HA VAL A 18 -0.207 -24.273 -4.766 1.00 62.43 H new ATOM 0 HB VAL A 18 -1.193 -23.887 -2.486 1.00 33.24 H new ATOM 0 HG11 VAL A 18 -0.374 -21.986 -1.154 1.00 74.43 H new ATOM 0 HG12 VAL A 18 0.854 -23.265 -1.306 1.00 74.43 H new ATOM 0 HG13 VAL A 18 0.986 -21.785 -2.285 1.00 74.43 H new ATOM 0 HG21 VAL A 18 -2.020 -21.618 -2.958 1.00 55.34 H new ATOM 0 HG22 VAL A 18 -0.729 -21.402 -4.164 1.00 55.34 H new ATOM 0 HG23 VAL A 18 -1.992 -22.629 -4.422 1.00 55.34 H new ATOM 324 N LYS A 19 1.095 -22.243 -5.567 1.00 54.13 N ATOM 325 CA LYS A 19 1.997 -21.275 -6.180 1.00 63.50 C ATOM 326 C LYS A 19 1.593 -19.850 -5.819 1.00 3.32 C ATOM 327 O LYS A 19 0.532 -19.623 -5.236 1.00 1.01 O ATOM 328 CB LYS A 19 2.004 -21.445 -7.701 1.00 33.21 C ATOM 329 CG LYS A 19 0.615 -21.471 -8.316 1.00 22.20 C ATOM 330 CD LYS A 19 0.099 -22.892 -8.467 1.00 34.22 C ATOM 331 CE LYS A 19 0.589 -23.530 -9.758 1.00 4.44 C ATOM 332 NZ LYS A 19 -0.119 -22.986 -10.949 1.00 51.11 N ATOM 0 H LYS A 19 0.202 -22.349 -6.048 1.00 54.13 H new ATOM 0 HA LYS A 19 3.001 -21.457 -5.796 1.00 63.50 H new ATOM 0 HB2 LYS A 19 2.575 -20.630 -8.147 1.00 33.21 H new ATOM 0 HB3 LYS A 19 2.521 -22.371 -7.952 1.00 33.21 H new ATOM 0 HG2 LYS A 19 -0.071 -20.898 -7.692 1.00 22.20 H new ATOM 0 HG3 LYS A 19 0.639 -20.986 -9.292 1.00 22.20 H new ATOM 0 HD2 LYS A 19 0.426 -23.491 -7.617 1.00 34.22 H new ATOM 0 HD3 LYS A 19 -0.991 -22.888 -8.453 1.00 34.22 H new ATOM 0 HE2 LYS A 19 1.660 -23.360 -9.863 1.00 4.44 H new ATOM 0 HE3 LYS A 19 0.441 -24.609 -9.709 1.00 4.44 H new ATOM 0 HZ1 LYS A 19 0.063 -23.598 -11.770 1.00 51.11 H new ATOM 0 HZ2 LYS A 19 -1.141 -22.954 -10.761 1.00 51.11 H new ATOM 0 HZ3 LYS A 19 0.226 -22.026 -11.150 1.00 51.11 H new ATOM 346 N LEU A 20 2.444 -18.892 -6.169 1.00 43.22 N ATOM 347 CA LEU A 20 2.175 -17.487 -5.883 1.00 41.22 C ATOM 348 C LEU A 20 1.083 -16.944 -6.800 1.00 23.13 C ATOM 349 O LEU A 20 0.887 -17.416 -7.920 1.00 22.44 O ATOM 350 CB LEU A 20 3.451 -16.659 -6.046 1.00 22.33 C ATOM 351 CG LEU A 20 4.721 -17.258 -5.439 1.00 40.43 C ATOM 352 CD1 LEU A 20 5.957 -16.603 -6.036 1.00 3.01 C ATOM 353 CD2 LEU A 20 4.712 -17.104 -3.925 1.00 63.53 C ATOM 0 H LEU A 20 3.326 -19.062 -6.651 1.00 43.22 H new ATOM 0 HA LEU A 20 1.829 -17.412 -4.852 1.00 41.22 H new ATOM 0 HB2 LEU A 20 3.622 -16.497 -7.110 1.00 22.33 H new ATOM 0 HB3 LEU A 20 3.285 -15.680 -5.597 1.00 22.33 H new ATOM 0 HG LEU A 20 4.748 -18.322 -5.676 1.00 40.43 H new ATOM 0 HD11 LEU A 20 6.851 -17.041 -5.593 1.00 3.01 H new ATOM 0 HD12 LEU A 20 5.970 -16.765 -7.114 1.00 3.01 H new ATOM 0 HD13 LEU A 20 5.937 -15.533 -5.830 1.00 3.01 H new ATOM 0 HD21 LEU A 20 5.623 -17.536 -3.510 1.00 63.53 H new ATOM 0 HD22 LEU A 20 4.662 -16.046 -3.667 1.00 63.53 H new ATOM 0 HD23 LEU A 20 3.845 -17.620 -3.512 1.00 63.53 H new ATOM 365 N PRO A 21 0.356 -15.926 -6.316 1.00 32.43 N ATOM 366 CA PRO A 21 -0.727 -15.295 -7.076 1.00 63.23 C ATOM 367 C PRO A 21 -0.208 -14.489 -8.262 1.00 74.24 C ATOM 368 O PRO A 21 0.972 -14.560 -8.607 1.00 35.42 O ATOM 369 CB PRO A 21 -1.389 -14.372 -6.051 1.00 10.32 C ATOM 370 CG PRO A 21 -0.317 -14.076 -5.059 1.00 51.14 C ATOM 371 CD PRO A 21 0.535 -15.313 -4.989 1.00 35.21 C ATOM 0 HA PRO A 21 -1.406 -16.031 -7.507 1.00 63.23 H new ATOM 0 HB2 PRO A 21 -1.757 -13.460 -6.520 1.00 10.32 H new ATOM 0 HB3 PRO A 21 -2.244 -14.855 -5.578 1.00 10.32 H new ATOM 0 HG2 PRO A 21 0.273 -13.213 -5.368 1.00 51.14 H new ATOM 0 HG3 PRO A 21 -0.742 -13.839 -4.084 1.00 51.14 H new ATOM 0 HD2 PRO A 21 1.580 -15.071 -4.796 1.00 35.21 H new ATOM 0 HD3 PRO A 21 0.210 -15.980 -4.191 1.00 35.21 H new ATOM 379 N LYS A 22 -1.097 -13.722 -8.884 1.00 73.03 N ATOM 380 CA LYS A 22 -0.730 -12.900 -10.031 1.00 71.34 C ATOM 381 C LYS A 22 -0.383 -11.481 -9.595 1.00 1.41 C ATOM 382 O LYS A 22 0.505 -10.846 -10.164 1.00 4.11 O ATOM 383 CB LYS A 22 -1.873 -12.867 -11.048 1.00 74.41 C ATOM 384 CG LYS A 22 -3.092 -12.098 -10.569 1.00 2.44 C ATOM 385 CD LYS A 22 -4.382 -12.746 -11.041 1.00 54.42 C ATOM 386 CE LYS A 22 -4.599 -14.100 -10.384 1.00 71.23 C ATOM 387 NZ LYS A 22 -5.214 -15.080 -11.322 1.00 52.54 N ATOM 0 H LYS A 22 -2.078 -13.653 -8.613 1.00 73.03 H new ATOM 0 HA LYS A 22 0.150 -13.344 -10.497 1.00 71.34 H new ATOM 0 HB2 LYS A 22 -1.512 -12.419 -11.973 1.00 74.41 H new ATOM 0 HB3 LYS A 22 -2.168 -13.890 -11.283 1.00 74.41 H new ATOM 0 HG2 LYS A 22 -3.087 -12.048 -9.480 1.00 2.44 H new ATOM 0 HG3 LYS A 22 -3.044 -11.073 -10.936 1.00 2.44 H new ATOM 0 HD2 LYS A 22 -5.223 -12.091 -10.814 1.00 54.42 H new ATOM 0 HD3 LYS A 22 -4.355 -12.866 -12.124 1.00 54.42 H new ATOM 0 HE2 LYS A 22 -3.645 -14.488 -10.028 1.00 71.23 H new ATOM 0 HE3 LYS A 22 -5.241 -13.981 -9.511 1.00 71.23 H new ATOM 0 HZ1 LYS A 22 -5.346 -15.990 -10.836 1.00 52.54 H new ATOM 0 HZ2 LYS A 22 -6.136 -14.722 -11.642 1.00 52.54 H new ATOM 0 HZ3 LYS A 22 -4.590 -15.213 -12.143 1.00 52.54 H new ATOM 401 N ASP A 23 -1.088 -10.989 -8.582 1.00 24.23 N ATOM 402 CA ASP A 23 -0.852 -9.645 -8.067 1.00 62.22 C ATOM 403 C ASP A 23 0.280 -9.646 -7.044 1.00 51.43 C ATOM 404 O ASP A 23 0.134 -9.118 -5.942 1.00 23.15 O ATOM 405 CB ASP A 23 -2.128 -9.087 -7.435 1.00 24.25 C ATOM 406 CG ASP A 23 -3.374 -9.478 -8.204 1.00 51.51 C ATOM 407 OD1 ASP A 23 -3.653 -8.843 -9.243 1.00 73.23 O ATOM 408 OD2 ASP A 23 -4.070 -10.418 -7.768 1.00 10.12 O ATOM 0 H ASP A 23 -1.828 -11.501 -8.101 1.00 24.23 H new ATOM 0 HA ASP A 23 -0.561 -9.008 -8.902 1.00 62.22 H new ATOM 0 HB2 ASP A 23 -2.210 -9.447 -6.410 1.00 24.25 H new ATOM 0 HB3 ASP A 23 -2.061 -8.000 -7.387 1.00 24.25 H new ATOM 413 N VAL A 24 1.408 -10.242 -7.417 1.00 73.42 N ATOM 414 CA VAL A 24 2.565 -10.312 -6.533 1.00 15.14 C ATOM 415 C VAL A 24 3.866 -10.204 -7.320 1.00 34.41 C ATOM 416 O VAL A 24 4.024 -10.833 -8.366 1.00 74.25 O ATOM 417 CB VAL A 24 2.574 -11.622 -5.723 1.00 20.02 C ATOM 418 CG1 VAL A 24 2.835 -12.811 -6.634 1.00 73.53 C ATOM 419 CG2 VAL A 24 3.611 -11.554 -4.612 1.00 1.21 C ATOM 0 H VAL A 24 1.545 -10.684 -8.326 1.00 73.42 H new ATOM 0 HA VAL A 24 2.489 -9.469 -5.846 1.00 15.14 H new ATOM 0 HB VAL A 24 1.593 -11.753 -5.266 1.00 20.02 H new ATOM 0 HG11 VAL A 24 2.838 -13.728 -6.044 1.00 73.53 H new ATOM 0 HG12 VAL A 24 2.052 -12.869 -7.390 1.00 73.53 H new ATOM 0 HG13 VAL A 24 3.802 -12.690 -7.122 1.00 73.53 H new ATOM 0 HG21 VAL A 24 3.604 -12.488 -4.050 1.00 1.21 H new ATOM 0 HG22 VAL A 24 4.599 -11.399 -5.045 1.00 1.21 H new ATOM 0 HG23 VAL A 24 3.374 -10.726 -3.944 1.00 1.21 H new ATOM 429 N ASP A 25 4.795 -9.404 -6.809 1.00 60.24 N ATOM 430 CA ASP A 25 6.084 -9.215 -7.464 1.00 24.11 C ATOM 431 C ASP A 25 7.183 -9.981 -6.733 1.00 35.13 C ATOM 432 O ASP A 25 7.685 -9.533 -5.702 1.00 15.02 O ATOM 433 CB ASP A 25 6.436 -7.728 -7.524 1.00 44.14 C ATOM 434 CG ASP A 25 5.971 -7.075 -8.811 1.00 45.21 C ATOM 435 OD1 ASP A 25 6.253 -7.630 -9.893 1.00 61.23 O ATOM 436 OD2 ASP A 25 5.327 -6.008 -8.736 1.00 13.30 O ATOM 0 H ASP A 25 4.680 -8.876 -5.944 1.00 60.24 H new ATOM 0 HA ASP A 25 6.008 -9.604 -8.479 1.00 24.11 H new ATOM 0 HB2 ASP A 25 5.983 -7.216 -6.675 1.00 44.14 H new ATOM 0 HB3 ASP A 25 7.515 -7.609 -7.429 1.00 44.14 H new ATOM 441 N ARG A 26 7.550 -11.139 -7.273 1.00 13.43 N ATOM 442 CA ARG A 26 8.586 -11.968 -6.670 1.00 44.14 C ATOM 443 C ARG A 26 9.853 -11.156 -6.416 1.00 41.24 C ATOM 444 O ARG A 26 10.603 -11.430 -5.479 1.00 33.24 O ATOM 445 CB ARG A 26 8.905 -13.160 -7.574 1.00 71.24 C ATOM 446 CG ARG A 26 9.974 -14.083 -7.012 1.00 0.41 C ATOM 447 CD ARG A 26 9.394 -15.431 -6.616 1.00 71.52 C ATOM 448 NE ARG A 26 10.424 -16.461 -6.514 1.00 22.54 N ATOM 449 CZ ARG A 26 11.048 -16.984 -7.563 1.00 60.15 C ATOM 450 NH1 ARG A 26 10.748 -16.575 -8.788 1.00 40.14 N ATOM 451 NH2 ARG A 26 11.975 -17.918 -7.389 1.00 54.21 N ATOM 0 H ARG A 26 7.145 -11.524 -8.127 1.00 13.43 H new ATOM 0 HA ARG A 26 8.212 -12.335 -5.714 1.00 44.14 H new ATOM 0 HB2 ARG A 26 7.993 -13.733 -7.740 1.00 71.24 H new ATOM 0 HB3 ARG A 26 9.231 -12.791 -8.546 1.00 71.24 H new ATOM 0 HG2 ARG A 26 10.759 -14.227 -7.755 1.00 0.41 H new ATOM 0 HG3 ARG A 26 10.439 -13.617 -6.144 1.00 0.41 H new ATOM 0 HD2 ARG A 26 8.879 -15.337 -5.660 1.00 71.52 H new ATOM 0 HD3 ARG A 26 8.649 -15.735 -7.351 1.00 71.52 H new ATOM 0 HE ARG A 26 10.678 -16.797 -5.585 1.00 22.54 H new ATOM 0 HH11 ARG A 26 10.037 -15.857 -8.926 1.00 40.14 H new ATOM 0 HH12 ARG A 26 11.229 -16.978 -9.592 1.00 40.14 H new ATOM 0 HH21 ARG A 26 12.209 -18.235 -6.448 1.00 54.21 H new ATOM 0 HH22 ARG A 26 12.453 -18.319 -8.196 1.00 54.21 H new ATOM 465 N THR A 27 10.087 -10.154 -7.259 1.00 33.31 N ATOM 466 CA THR A 27 11.263 -9.303 -7.127 1.00 74.44 C ATOM 467 C THR A 27 11.388 -8.754 -5.711 1.00 24.42 C ATOM 468 O THR A 27 12.424 -8.911 -5.064 1.00 41.11 O ATOM 469 CB THR A 27 11.218 -8.126 -8.120 1.00 22.21 C ATOM 470 OG1 THR A 27 10.505 -8.508 -9.301 1.00 60.34 O ATOM 471 CG2 THR A 27 12.624 -7.679 -8.492 1.00 53.11 C ATOM 0 H THR A 27 9.477 -9.912 -8.040 1.00 33.31 H new ATOM 0 HA THR A 27 12.130 -9.925 -7.350 1.00 74.44 H new ATOM 0 HB THR A 27 10.704 -7.293 -7.640 1.00 22.21 H new ATOM 0 HG1 THR A 27 10.480 -7.754 -9.926 1.00 60.34 H new ATOM 0 HG21 THR A 27 12.568 -6.847 -9.194 1.00 53.11 H new ATOM 0 HG22 THR A 27 13.154 -7.361 -7.594 1.00 53.11 H new ATOM 0 HG23 THR A 27 13.159 -8.508 -8.955 1.00 53.11 H new ATOM 479 N ARG A 28 10.327 -8.111 -5.234 1.00 65.41 N ATOM 480 CA ARG A 28 10.320 -7.539 -3.893 1.00 40.34 C ATOM 481 C ARG A 28 9.208 -8.151 -3.047 1.00 21.23 C ATOM 482 O ARG A 28 8.275 -7.461 -2.634 1.00 3.31 O ATOM 483 CB ARG A 28 10.144 -6.021 -3.965 1.00 52.20 C ATOM 484 CG ARG A 28 11.060 -5.348 -4.975 1.00 35.42 C ATOM 485 CD ARG A 28 12.512 -5.397 -4.528 1.00 43.31 C ATOM 486 NE ARG A 28 13.333 -6.208 -5.423 1.00 23.23 N ATOM 487 CZ ARG A 28 14.660 -6.153 -5.455 1.00 21.24 C ATOM 488 NH1 ARG A 28 15.312 -5.330 -4.646 1.00 5.14 N ATOM 489 NH2 ARG A 28 15.337 -6.923 -6.297 1.00 22.43 N ATOM 0 H ARG A 28 9.462 -7.973 -5.756 1.00 65.41 H new ATOM 0 HA ARG A 28 11.277 -7.766 -3.423 1.00 40.34 H new ATOM 0 HB2 ARG A 28 9.108 -5.796 -4.220 1.00 52.20 H new ATOM 0 HB3 ARG A 28 10.329 -5.595 -2.979 1.00 52.20 H new ATOM 0 HG2 ARG A 28 10.959 -5.839 -5.943 1.00 35.42 H new ATOM 0 HG3 ARG A 28 10.754 -4.310 -5.110 1.00 35.42 H new ATOM 0 HD2 ARG A 28 12.913 -4.384 -4.486 1.00 43.31 H new ATOM 0 HD3 ARG A 28 12.567 -5.803 -3.518 1.00 43.31 H new ATOM 0 HE ARG A 28 12.862 -6.852 -6.058 1.00 23.23 H new ATOM 0 HH11 ARG A 28 14.795 -4.737 -3.997 1.00 5.14 H new ATOM 0 HH12 ARG A 28 16.331 -5.290 -4.673 1.00 5.14 H new ATOM 0 HH21 ARG A 28 14.839 -7.558 -6.921 1.00 22.43 H new ATOM 0 HH22 ARG A 28 16.356 -6.880 -6.321 1.00 22.43 H new ATOM 503 N LEU A 29 9.313 -9.451 -2.792 1.00 41.22 N ATOM 504 CA LEU A 29 8.316 -10.157 -1.995 1.00 63.30 C ATOM 505 C LEU A 29 8.293 -9.632 -0.563 1.00 73.40 C ATOM 506 O LEU A 29 7.311 -9.812 0.157 1.00 3.12 O ATOM 507 CB LEU A 29 8.606 -11.659 -1.995 1.00 72.31 C ATOM 508 CG LEU A 29 7.387 -12.578 -1.904 1.00 53.21 C ATOM 509 CD1 LEU A 29 6.453 -12.343 -3.081 1.00 73.42 C ATOM 510 CD2 LEU A 29 7.820 -14.035 -1.847 1.00 22.42 C ATOM 0 H LEU A 29 10.078 -10.037 -3.126 1.00 41.22 H new ATOM 0 HA LEU A 29 7.338 -9.982 -2.442 1.00 63.30 H new ATOM 0 HB2 LEU A 29 9.153 -11.903 -2.906 1.00 72.31 H new ATOM 0 HB3 LEU A 29 9.267 -11.881 -1.157 1.00 72.31 H new ATOM 0 HG LEU A 29 6.848 -12.345 -0.986 1.00 53.21 H new ATOM 0 HD11 LEU A 29 5.591 -13.006 -3.000 1.00 73.42 H new ATOM 0 HD12 LEU A 29 6.116 -11.307 -3.076 1.00 73.42 H new ATOM 0 HD13 LEU A 29 6.982 -12.548 -4.012 1.00 73.42 H new ATOM 0 HD21 LEU A 29 6.939 -14.674 -1.782 1.00 22.42 H new ATOM 0 HD22 LEU A 29 8.383 -14.283 -2.747 1.00 22.42 H new ATOM 0 HD23 LEU A 29 8.448 -14.194 -0.971 1.00 22.42 H new ATOM 522 N GLU A 30 9.379 -8.982 -0.159 1.00 1.25 N ATOM 523 CA GLU A 30 9.481 -8.430 1.187 1.00 3.22 C ATOM 524 C GLU A 30 8.366 -7.421 1.448 1.00 44.14 C ATOM 525 O GLU A 30 7.789 -7.385 2.534 1.00 12.22 O ATOM 526 CB GLU A 30 10.844 -7.763 1.387 1.00 61.21 C ATOM 527 CG GLU A 30 10.947 -6.386 0.752 1.00 30.44 C ATOM 528 CD GLU A 30 12.382 -5.923 0.593 1.00 61.43 C ATOM 529 OE1 GLU A 30 13.233 -6.339 1.408 1.00 52.54 O ATOM 530 OE2 GLU A 30 12.655 -5.146 -0.346 1.00 35.50 O ATOM 0 H GLU A 30 10.200 -8.825 -0.743 1.00 1.25 H new ATOM 0 HA GLU A 30 9.378 -9.251 1.897 1.00 3.22 H new ATOM 0 HB2 GLU A 30 11.044 -7.677 2.455 1.00 61.21 H new ATOM 0 HB3 GLU A 30 11.619 -8.406 0.968 1.00 61.21 H new ATOM 0 HG2 GLU A 30 10.464 -6.404 -0.225 1.00 30.44 H new ATOM 0 HG3 GLU A 30 10.403 -5.666 1.363 1.00 30.44 H new ATOM 537 N ARG A 31 8.070 -6.603 0.443 1.00 41.01 N ATOM 538 CA ARG A 31 7.026 -5.592 0.563 1.00 63.31 C ATOM 539 C ARG A 31 5.646 -6.240 0.616 1.00 73.14 C ATOM 540 O ARG A 31 4.649 -5.580 0.912 1.00 4.14 O ATOM 541 CB ARG A 31 7.097 -4.613 -0.610 1.00 65.13 C ATOM 542 CG ARG A 31 8.348 -3.750 -0.608 1.00 4.20 C ATOM 543 CD ARG A 31 8.588 -3.112 -1.968 1.00 32.33 C ATOM 544 NE ARG A 31 9.878 -2.430 -2.033 1.00 74.40 N ATOM 545 CZ ARG A 31 10.259 -1.676 -3.058 1.00 20.22 C ATOM 546 NH1 ARG A 31 9.453 -1.508 -4.097 1.00 45.24 N ATOM 547 NH2 ARG A 31 11.448 -1.088 -3.044 1.00 24.11 N ATOM 0 H ARG A 31 8.538 -6.621 -0.463 1.00 41.01 H new ATOM 0 HA ARG A 31 7.188 -5.046 1.493 1.00 63.31 H new ATOM 0 HB2 ARG A 31 7.054 -5.174 -1.544 1.00 65.13 H new ATOM 0 HB3 ARG A 31 6.220 -3.966 -0.586 1.00 65.13 H new ATOM 0 HG2 ARG A 31 8.253 -2.971 0.149 1.00 4.20 H new ATOM 0 HG3 ARG A 31 9.210 -4.358 -0.333 1.00 4.20 H new ATOM 0 HD2 ARG A 31 8.544 -3.879 -2.741 1.00 32.33 H new ATOM 0 HD3 ARG A 31 7.790 -2.400 -2.180 1.00 32.33 H new ATOM 0 HE ARG A 31 10.521 -2.539 -1.249 1.00 74.40 H new ATOM 0 HH11 ARG A 31 8.538 -1.958 -4.111 1.00 45.24 H new ATOM 0 HH12 ARG A 31 9.748 -0.928 -4.883 1.00 45.24 H new ATOM 0 HH21 ARG A 31 12.070 -1.215 -2.246 1.00 24.11 H new ATOM 0 HH22 ARG A 31 11.740 -0.509 -3.831 1.00 24.11 H new ATOM 561 N HIS A 32 5.594 -7.536 0.325 1.00 24.31 N ATOM 562 CA HIS A 32 4.336 -8.274 0.339 1.00 0.34 C ATOM 563 C HIS A 32 4.187 -9.068 1.633 1.00 34.23 C ATOM 564 O HIS A 32 3.165 -9.717 1.861 1.00 31.41 O ATOM 565 CB HIS A 32 4.259 -9.215 -0.863 1.00 34.22 C ATOM 566 CG HIS A 32 3.790 -8.546 -2.118 1.00 70.32 C ATOM 567 ND1 HIS A 32 2.459 -8.325 -2.401 1.00 53.12 N ATOM 568 CD2 HIS A 32 4.484 -8.048 -3.168 1.00 1.32 C ATOM 569 CE1 HIS A 32 2.354 -7.721 -3.571 1.00 41.43 C ATOM 570 NE2 HIS A 32 3.569 -7.540 -4.057 1.00 60.52 N ATOM 0 H HIS A 32 6.409 -8.097 0.077 1.00 24.31 H new ATOM 0 HA HIS A 32 3.520 -7.554 0.279 1.00 0.34 H new ATOM 0 HB2 HIS A 32 5.244 -9.649 -1.038 1.00 34.22 H new ATOM 0 HB3 HIS A 32 3.585 -10.039 -0.627 1.00 34.22 H new ATOM 0 HD1 HIS A 32 1.677 -8.587 -1.801 1.00 53.12 H new ATOM 0 HD2 HIS A 32 5.558 -8.050 -3.285 1.00 1.32 H new ATOM 0 HE1 HIS A 32 1.432 -7.425 -4.049 1.00 41.43 H new ATOM 578 N LEU A 33 5.211 -9.013 2.477 1.00 22.41 N ATOM 579 CA LEU A 33 5.194 -9.729 3.748 1.00 5.44 C ATOM 580 C LEU A 33 5.199 -8.754 4.922 1.00 43.23 C ATOM 581 O LEU A 33 6.051 -7.869 5.003 1.00 41.11 O ATOM 582 CB LEU A 33 6.399 -10.666 3.845 1.00 63.14 C ATOM 583 CG LEU A 33 6.152 -12.008 4.534 1.00 70.41 C ATOM 584 CD1 LEU A 33 5.520 -12.997 3.566 1.00 13.25 C ATOM 585 CD2 LEU A 33 7.451 -12.567 5.096 1.00 2.53 C ATOM 0 H LEU A 33 6.064 -8.480 2.305 1.00 22.41 H new ATOM 0 HA LEU A 33 4.278 -10.319 3.792 1.00 5.44 H new ATOM 0 HB2 LEU A 33 6.765 -10.860 2.837 1.00 63.14 H new ATOM 0 HB3 LEU A 33 7.195 -10.147 4.379 1.00 63.14 H new ATOM 0 HG LEU A 33 5.461 -11.847 5.361 1.00 70.41 H new ATOM 0 HD11 LEU A 33 5.352 -13.946 4.074 1.00 13.25 H new ATOM 0 HD12 LEU A 33 4.568 -12.601 3.211 1.00 13.25 H new ATOM 0 HD13 LEU A 33 6.187 -13.153 2.718 1.00 13.25 H new ATOM 0 HD21 LEU A 33 7.255 -13.522 5.583 1.00 2.53 H new ATOM 0 HD22 LEU A 33 8.165 -12.712 4.286 1.00 2.53 H new ATOM 0 HD23 LEU A 33 7.864 -11.867 5.823 1.00 2.53 H new ATOM 597 N SER A 34 4.244 -8.924 5.830 1.00 54.13 N ATOM 598 CA SER A 34 4.137 -8.058 6.998 1.00 34.22 C ATOM 599 C SER A 34 5.481 -7.938 7.710 1.00 35.44 C ATOM 600 O SER A 34 6.395 -8.736 7.503 1.00 43.11 O ATOM 601 CB SER A 34 3.081 -8.599 7.965 1.00 52.44 C ATOM 602 OG SER A 34 3.682 -9.318 9.027 1.00 65.11 O ATOM 0 H SER A 34 3.533 -9.654 5.779 1.00 54.13 H new ATOM 0 HA SER A 34 3.835 -7.067 6.659 1.00 34.22 H new ATOM 0 HB2 SER A 34 2.495 -7.773 8.367 1.00 52.44 H new ATOM 0 HB3 SER A 34 2.390 -9.248 7.427 1.00 52.44 H new ATOM 0 HG SER A 34 2.986 -9.652 9.631 1.00 65.11 H new ATOM 608 N PRO A 35 5.604 -6.917 8.571 1.00 30.33 N ATOM 609 CA PRO A 35 6.832 -6.668 9.333 1.00 55.23 C ATOM 610 C PRO A 35 7.076 -7.727 10.402 1.00 33.11 C ATOM 611 O PRO A 35 8.197 -8.206 10.569 1.00 72.12 O ATOM 612 CB PRO A 35 6.577 -5.304 9.979 1.00 11.03 C ATOM 613 CG PRO A 35 5.094 -5.197 10.067 1.00 75.14 C ATOM 614 CD PRO A 35 4.554 -5.928 8.868 1.00 5.10 C ATOM 0 HA PRO A 35 7.718 -6.696 8.699 1.00 55.23 H new ATOM 0 HB2 PRO A 35 7.038 -5.241 10.965 1.00 11.03 H new ATOM 0 HB3 PRO A 35 6.997 -4.497 9.379 1.00 11.03 H new ATOM 0 HG2 PRO A 35 4.725 -5.639 10.992 1.00 75.14 H new ATOM 0 HG3 PRO A 35 4.777 -4.154 10.064 1.00 75.14 H new ATOM 0 HD2 PRO A 35 3.600 -6.408 9.086 1.00 5.10 H new ATOM 0 HD3 PRO A 35 4.387 -5.254 8.028 1.00 5.10 H new ATOM 622 N GLU A 36 6.019 -8.088 11.123 1.00 31.13 N ATOM 623 CA GLU A 36 6.120 -9.091 12.177 1.00 44.01 C ATOM 624 C GLU A 36 6.493 -10.453 11.598 1.00 52.23 C ATOM 625 O GLU A 36 7.213 -11.229 12.225 1.00 74.11 O ATOM 626 CB GLU A 36 4.800 -9.194 12.943 1.00 74.04 C ATOM 627 CG GLU A 36 4.653 -8.160 14.046 1.00 44.41 C ATOM 628 CD GLU A 36 3.449 -8.417 14.931 1.00 24.11 C ATOM 629 OE1 GLU A 36 2.595 -9.242 14.546 1.00 13.11 O ATOM 630 OE2 GLU A 36 3.363 -7.793 16.010 1.00 74.24 O ATOM 0 H GLU A 36 5.084 -7.701 10.997 1.00 31.13 H new ATOM 0 HA GLU A 36 6.907 -8.780 12.865 1.00 44.01 H new ATOM 0 HB2 GLU A 36 3.973 -9.084 12.241 1.00 74.04 H new ATOM 0 HB3 GLU A 36 4.719 -10.190 13.378 1.00 74.04 H new ATOM 0 HG2 GLU A 36 5.555 -8.157 14.658 1.00 44.41 H new ATOM 0 HG3 GLU A 36 4.567 -7.169 13.600 1.00 44.41 H new ATOM 637 N GLU A 37 5.996 -10.735 10.397 1.00 2.42 N ATOM 638 CA GLU A 37 6.276 -12.003 9.734 1.00 14.12 C ATOM 639 C GLU A 37 7.710 -12.040 9.214 1.00 74.45 C ATOM 640 O GLU A 37 8.391 -13.061 9.311 1.00 30.23 O ATOM 641 CB GLU A 37 5.296 -12.227 8.580 1.00 23.21 C ATOM 642 CG GLU A 37 4.140 -13.148 8.933 1.00 65.20 C ATOM 643 CD GLU A 37 4.484 -14.613 8.747 1.00 62.31 C ATOM 644 OE1 GLU A 37 5.624 -15.003 9.077 1.00 12.50 O ATOM 645 OE2 GLU A 37 3.613 -15.371 8.271 1.00 15.31 O ATOM 0 H GLU A 37 5.398 -10.103 9.864 1.00 2.42 H new ATOM 0 HA GLU A 37 6.153 -12.802 10.465 1.00 14.12 H new ATOM 0 HB2 GLU A 37 4.898 -11.264 8.261 1.00 23.21 H new ATOM 0 HB3 GLU A 37 5.837 -12.646 7.731 1.00 23.21 H new ATOM 0 HG2 GLU A 37 3.847 -12.976 9.969 1.00 65.20 H new ATOM 0 HG3 GLU A 37 3.279 -12.899 8.312 1.00 65.20 H new ATOM 652 N PHE A 38 8.161 -10.920 8.659 1.00 31.13 N ATOM 653 CA PHE A 38 9.513 -10.824 8.121 1.00 31.12 C ATOM 654 C PHE A 38 10.551 -11.054 9.215 1.00 3.25 C ATOM 655 O PHE A 38 11.540 -11.758 9.009 1.00 55.51 O ATOM 656 CB PHE A 38 9.731 -9.455 7.475 1.00 43.34 C ATOM 657 CG PHE A 38 10.524 -9.513 6.200 1.00 31.12 C ATOM 658 CD1 PHE A 38 9.989 -10.096 5.063 1.00 64.25 C ATOM 659 CD2 PHE A 38 11.803 -8.984 6.140 1.00 62.45 C ATOM 660 CE1 PHE A 38 10.717 -10.152 3.889 1.00 41.11 C ATOM 661 CE2 PHE A 38 12.535 -9.037 4.968 1.00 5.24 C ATOM 662 CZ PHE A 38 11.991 -9.620 3.841 1.00 21.53 C ATOM 0 H PHE A 38 7.610 -10.066 8.570 1.00 31.13 H new ATOM 0 HA PHE A 38 9.632 -11.599 7.363 1.00 31.12 H new ATOM 0 HB2 PHE A 38 8.762 -9.000 7.270 1.00 43.34 H new ATOM 0 HB3 PHE A 38 10.245 -8.805 8.184 1.00 43.34 H new ATOM 0 HD1 PHE A 38 8.992 -10.511 5.094 1.00 64.25 H new ATOM 0 HD2 PHE A 38 12.233 -8.525 7.018 1.00 62.45 H new ATOM 0 HE1 PHE A 38 10.290 -10.611 3.010 1.00 41.11 H new ATOM 0 HE2 PHE A 38 13.532 -8.623 4.934 1.00 5.24 H new ATOM 0 HZ PHE A 38 12.560 -9.660 2.924 1.00 21.53 H new ATOM 672 N GLN A 39 10.319 -10.454 10.379 1.00 71.23 N ATOM 673 CA GLN A 39 11.235 -10.592 11.505 1.00 34.20 C ATOM 674 C GLN A 39 11.039 -11.933 12.204 1.00 31.35 C ATOM 675 O GLN A 39 11.945 -12.435 12.869 1.00 42.05 O ATOM 676 CB GLN A 39 11.028 -9.449 12.501 1.00 72.45 C ATOM 677 CG GLN A 39 9.647 -9.439 13.136 1.00 0.24 C ATOM 678 CD GLN A 39 9.542 -10.381 14.319 1.00 31.31 C ATOM 679 OE1 GLN A 39 10.551 -10.785 14.898 1.00 41.32 O ATOM 680 NE2 GLN A 39 8.316 -10.738 14.685 1.00 2.32 N ATOM 0 H GLN A 39 9.505 -9.868 10.566 1.00 71.23 H new ATOM 0 HA GLN A 39 12.254 -10.549 11.120 1.00 34.20 H new ATOM 0 HB2 GLN A 39 11.780 -9.522 13.287 1.00 72.45 H new ATOM 0 HB3 GLN A 39 11.191 -8.500 11.991 1.00 72.45 H new ATOM 0 HG2 GLN A 39 9.408 -8.426 13.460 1.00 0.24 H new ATOM 0 HG3 GLN A 39 8.905 -9.718 12.388 1.00 0.24 H new ATOM 0 HE21 GLN A 39 7.507 -10.379 14.177 1.00 2.32 H new ATOM 0 HE22 GLN A 39 8.183 -11.371 15.474 1.00 2.32 H new ATOM 689 N GLU A 40 9.850 -12.508 12.050 1.00 10.35 N ATOM 690 CA GLU A 40 9.536 -13.790 12.669 1.00 62.30 C ATOM 691 C GLU A 40 10.037 -14.947 11.808 1.00 3.53 C ATOM 692 O GLU A 40 10.377 -16.014 12.319 1.00 3.32 O ATOM 693 CB GLU A 40 8.028 -13.920 12.889 1.00 75.33 C ATOM 694 CG GLU A 40 7.614 -15.246 13.505 1.00 21.11 C ATOM 695 CD GLU A 40 8.004 -15.357 14.966 1.00 25.12 C ATOM 696 OE1 GLU A 40 9.218 -15.407 15.254 1.00 23.45 O ATOM 697 OE2 GLU A 40 7.095 -15.393 15.821 1.00 30.44 O ATOM 0 H GLU A 40 9.089 -12.106 11.502 1.00 10.35 H new ATOM 0 HA GLU A 40 10.041 -13.832 13.634 1.00 62.30 H new ATOM 0 HB2 GLU A 40 7.692 -13.109 13.535 1.00 75.33 H new ATOM 0 HB3 GLU A 40 7.518 -13.798 11.933 1.00 75.33 H new ATOM 0 HG2 GLU A 40 6.535 -15.365 13.411 1.00 21.11 H new ATOM 0 HG3 GLU A 40 8.074 -16.061 12.947 1.00 21.11 H new ATOM 704 N VAL A 41 10.080 -14.726 10.498 1.00 34.21 N ATOM 705 CA VAL A 41 10.539 -15.748 9.565 1.00 22.34 C ATOM 706 C VAL A 41 12.047 -15.664 9.357 1.00 21.45 C ATOM 707 O VAL A 41 12.685 -16.639 8.959 1.00 20.33 O ATOM 708 CB VAL A 41 9.836 -15.620 8.201 1.00 30.10 C ATOM 709 CG1 VAL A 41 8.330 -15.761 8.361 1.00 11.51 C ATOM 710 CG2 VAL A 41 10.189 -14.295 7.542 1.00 22.15 C ATOM 0 H VAL A 41 9.802 -13.848 10.059 1.00 34.21 H new ATOM 0 HA VAL A 41 10.289 -16.713 10.005 1.00 22.34 H new ATOM 0 HB VAL A 41 10.185 -16.425 7.555 1.00 30.10 H new ATOM 0 HG11 VAL A 41 7.850 -15.668 7.387 1.00 11.51 H new ATOM 0 HG12 VAL A 41 8.099 -16.737 8.787 1.00 11.51 H new ATOM 0 HG13 VAL A 41 7.960 -14.979 9.024 1.00 11.51 H new ATOM 0 HG21 VAL A 41 9.684 -14.221 6.579 1.00 22.15 H new ATOM 0 HG22 VAL A 41 9.870 -13.473 8.183 1.00 22.15 H new ATOM 0 HG23 VAL A 41 11.267 -14.240 7.391 1.00 22.15 H new ATOM 720 N PHE A 42 12.612 -14.493 9.630 1.00 2.11 N ATOM 721 CA PHE A 42 14.046 -14.281 9.473 1.00 43.34 C ATOM 722 C PHE A 42 14.789 -14.606 10.765 1.00 24.01 C ATOM 723 O PHE A 42 15.819 -15.278 10.749 1.00 25.44 O ATOM 724 CB PHE A 42 14.327 -12.834 9.060 1.00 61.41 C ATOM 725 CG PHE A 42 14.152 -12.586 7.589 1.00 70.01 C ATOM 726 CD1 PHE A 42 13.221 -13.306 6.857 1.00 11.35 C ATOM 727 CD2 PHE A 42 14.918 -11.633 6.938 1.00 40.32 C ATOM 728 CE1 PHE A 42 13.058 -13.080 5.504 1.00 44.43 C ATOM 729 CE2 PHE A 42 14.760 -11.402 5.584 1.00 13.12 C ATOM 730 CZ PHE A 42 13.828 -12.126 4.867 1.00 51.35 C ATOM 0 H PHE A 42 12.099 -13.676 9.961 1.00 2.11 H new ATOM 0 HA PHE A 42 14.403 -14.951 8.691 1.00 43.34 H new ATOM 0 HB2 PHE A 42 13.662 -12.171 9.614 1.00 61.41 H new ATOM 0 HB3 PHE A 42 15.346 -12.575 9.345 1.00 61.41 H new ATOM 0 HD1 PHE A 42 12.616 -14.052 7.350 1.00 11.35 H new ATOM 0 HD2 PHE A 42 15.647 -11.064 7.495 1.00 40.32 H new ATOM 0 HE1 PHE A 42 12.330 -13.648 4.945 1.00 44.43 H new ATOM 0 HE2 PHE A 42 15.364 -10.657 5.088 1.00 13.12 H new ATOM 0 HZ PHE A 42 13.701 -11.947 3.810 1.00 51.35 H new ATOM 740 N GLY A 43 14.258 -14.122 11.884 1.00 23.40 N ATOM 741 CA GLY A 43 14.884 -14.371 13.170 1.00 53.12 C ATOM 742 C GLY A 43 15.243 -13.090 13.897 1.00 71.30 C ATOM 743 O GLY A 43 15.061 -12.986 15.110 1.00 51.55 O ATOM 0 H GLY A 43 13.406 -13.562 11.923 1.00 23.40 H new ATOM 0 HA2 GLY A 43 14.210 -14.961 13.791 1.00 53.12 H new ATOM 0 HA3 GLY A 43 15.785 -14.967 13.023 1.00 53.12 H new ATOM 747 N MET A 44 15.756 -12.114 13.155 1.00 31.30 N ATOM 748 CA MET A 44 16.142 -10.834 13.738 1.00 61.44 C ATOM 749 C MET A 44 14.926 -9.933 13.924 1.00 12.11 C ATOM 750 O MET A 44 13.787 -10.366 13.746 1.00 44.11 O ATOM 751 CB MET A 44 17.177 -10.138 12.852 1.00 54.15 C ATOM 752 CG MET A 44 16.792 -10.102 11.381 1.00 12.34 C ATOM 753 SD MET A 44 17.614 -11.384 10.416 1.00 33.15 S ATOM 754 CE MET A 44 18.473 -10.392 9.197 1.00 34.32 C ATOM 0 H MET A 44 15.914 -12.185 12.150 1.00 31.30 H new ATOM 0 HA MET A 44 16.582 -11.026 14.716 1.00 61.44 H new ATOM 0 HB2 MET A 44 17.320 -9.117 13.207 1.00 54.15 H new ATOM 0 HB3 MET A 44 18.134 -10.648 12.956 1.00 54.15 H new ATOM 0 HG2 MET A 44 15.712 -10.220 11.289 1.00 12.34 H new ATOM 0 HG3 MET A 44 17.042 -9.125 10.968 1.00 12.34 H new ATOM 0 HE1 MET A 44 19.458 -10.819 9.010 1.00 34.32 H new ATOM 0 HE2 MET A 44 17.901 -10.379 8.269 1.00 34.32 H new ATOM 0 HE3 MET A 44 18.583 -9.373 9.569 1.00 34.32 H new ATOM 764 N SER A 45 15.175 -8.678 14.284 1.00 14.22 N ATOM 765 CA SER A 45 14.099 -7.717 14.499 1.00 42.31 C ATOM 766 C SER A 45 13.813 -6.928 13.224 1.00 33.44 C ATOM 767 O SER A 45 14.708 -6.696 12.411 1.00 35.11 O ATOM 768 CB SER A 45 14.463 -6.758 15.634 1.00 14.12 C ATOM 769 OG SER A 45 14.738 -5.460 15.137 1.00 12.31 O ATOM 0 H SER A 45 16.112 -8.303 14.433 1.00 14.22 H new ATOM 0 HA SER A 45 13.201 -8.270 14.773 1.00 42.31 H new ATOM 0 HB2 SER A 45 13.643 -6.710 16.351 1.00 14.12 H new ATOM 0 HB3 SER A 45 15.333 -7.137 16.170 1.00 14.12 H new ATOM 0 HG SER A 45 14.966 -4.866 15.882 1.00 12.31 H new ATOM 775 N ILE A 46 12.559 -6.520 13.058 1.00 22.21 N ATOM 776 CA ILE A 46 12.154 -5.757 11.884 1.00 62.31 C ATOM 777 C ILE A 46 13.014 -4.509 11.716 1.00 14.13 C ATOM 778 O ILE A 46 13.254 -4.055 10.598 1.00 30.11 O ATOM 779 CB ILE A 46 10.674 -5.341 11.966 1.00 11.44 C ATOM 780 CG1 ILE A 46 10.125 -5.049 10.568 1.00 32.33 C ATOM 781 CG2 ILE A 46 10.515 -4.125 12.868 1.00 63.14 C ATOM 782 CD1 ILE A 46 10.294 -3.608 10.141 1.00 72.11 C ATOM 0 H ILE A 46 11.807 -6.705 13.721 1.00 22.21 H new ATOM 0 HA ILE A 46 12.292 -6.409 11.021 1.00 62.31 H new ATOM 0 HB ILE A 46 10.104 -6.165 12.395 1.00 11.44 H new ATOM 0 HG12 ILE A 46 10.627 -5.694 9.847 1.00 32.33 H new ATOM 0 HG13 ILE A 46 9.066 -5.305 10.542 1.00 32.33 H new ATOM 0 HG21 ILE A 46 9.463 -3.843 12.916 1.00 63.14 H new ATOM 0 HG22 ILE A 46 10.872 -4.366 13.869 1.00 63.14 H new ATOM 0 HG23 ILE A 46 11.095 -3.295 12.465 1.00 63.14 H new ATOM 0 HD11 ILE A 46 9.882 -3.474 9.141 1.00 72.11 H new ATOM 0 HD12 ILE A 46 9.768 -2.957 10.840 1.00 72.11 H new ATOM 0 HD13 ILE A 46 11.354 -3.352 10.135 1.00 72.11 H new ATOM 794 N GLU A 47 13.475 -3.960 12.836 1.00 50.14 N ATOM 795 CA GLU A 47 14.309 -2.764 12.812 1.00 40.02 C ATOM 796 C GLU A 47 15.630 -3.036 12.099 1.00 64.42 C ATOM 797 O GLU A 47 16.142 -2.185 11.373 1.00 42.12 O ATOM 798 CB GLU A 47 14.577 -2.274 14.236 1.00 0.42 C ATOM 799 CG GLU A 47 13.338 -2.252 15.116 1.00 62.03 C ATOM 800 CD GLU A 47 13.485 -1.326 16.307 1.00 13.41 C ATOM 801 OE1 GLU A 47 14.633 -0.968 16.644 1.00 33.41 O ATOM 802 OE2 GLU A 47 12.450 -0.958 16.902 1.00 2.44 O ATOM 0 H GLU A 47 13.285 -4.324 13.770 1.00 50.14 H new ATOM 0 HA GLU A 47 13.773 -1.989 12.264 1.00 40.02 H new ATOM 0 HB2 GLU A 47 15.328 -2.916 14.697 1.00 0.42 H new ATOM 0 HB3 GLU A 47 14.999 -1.270 14.192 1.00 0.42 H new ATOM 0 HG2 GLU A 47 12.480 -1.939 14.521 1.00 62.03 H new ATOM 0 HG3 GLU A 47 13.130 -3.262 15.469 1.00 62.03 H new ATOM 809 N GLU A 48 16.177 -4.229 12.313 1.00 74.42 N ATOM 810 CA GLU A 48 17.439 -4.613 11.692 1.00 71.32 C ATOM 811 C GLU A 48 17.347 -4.523 10.171 1.00 32.33 C ATOM 812 O GLU A 48 18.266 -4.039 9.510 1.00 33.31 O ATOM 813 CB GLU A 48 17.826 -6.034 12.107 1.00 33.31 C ATOM 814 CG GLU A 48 19.317 -6.309 12.019 1.00 25.32 C ATOM 815 CD GLU A 48 20.136 -5.365 12.878 1.00 23.42 C ATOM 816 OE1 GLU A 48 19.857 -5.276 14.092 1.00 21.03 O ATOM 817 OE2 GLU A 48 21.055 -4.716 12.337 1.00 24.20 O ATOM 0 H GLU A 48 15.766 -4.946 12.911 1.00 74.42 H new ATOM 0 HA GLU A 48 18.208 -3.920 12.034 1.00 71.32 H new ATOM 0 HB2 GLU A 48 17.493 -6.208 13.130 1.00 33.31 H new ATOM 0 HB3 GLU A 48 17.296 -6.745 11.474 1.00 33.31 H new ATOM 0 HG2 GLU A 48 19.512 -7.336 12.327 1.00 25.32 H new ATOM 0 HG3 GLU A 48 19.638 -6.221 10.981 1.00 25.32 H new ATOM 824 N PHE A 49 16.231 -4.994 9.623 1.00 4.41 N ATOM 825 CA PHE A 49 16.019 -4.968 8.181 1.00 73.23 C ATOM 826 C PHE A 49 16.134 -3.546 7.639 1.00 64.52 C ATOM 827 O PHE A 49 16.926 -3.278 6.735 1.00 2.43 O ATOM 828 CB PHE A 49 14.645 -5.547 7.836 1.00 20.30 C ATOM 829 CG PHE A 49 14.403 -6.907 8.426 1.00 73.35 C ATOM 830 CD1 PHE A 49 15.410 -7.859 8.442 1.00 34.03 C ATOM 831 CD2 PHE A 49 13.168 -7.234 8.963 1.00 3.14 C ATOM 832 CE1 PHE A 49 15.189 -9.111 8.983 1.00 31.44 C ATOM 833 CE2 PHE A 49 12.942 -8.485 9.506 1.00 12.34 C ATOM 834 CZ PHE A 49 13.954 -9.424 9.517 1.00 31.32 C ATOM 0 H PHE A 49 15.461 -5.398 10.156 1.00 4.41 H new ATOM 0 HA PHE A 49 16.792 -5.579 7.715 1.00 73.23 H new ATOM 0 HB2 PHE A 49 13.873 -4.864 8.189 1.00 20.30 H new ATOM 0 HB3 PHE A 49 14.546 -5.607 6.752 1.00 20.30 H new ATOM 0 HD1 PHE A 49 16.378 -7.620 8.027 1.00 34.03 H new ATOM 0 HD2 PHE A 49 12.373 -6.503 8.957 1.00 3.14 H new ATOM 0 HE1 PHE A 49 15.982 -9.845 8.988 1.00 31.44 H new ATOM 0 HE2 PHE A 49 11.975 -8.728 9.921 1.00 12.34 H new ATOM 0 HZ PHE A 49 13.780 -10.401 9.942 1.00 31.32 H new ATOM 844 N ASP A 50 15.339 -2.641 8.197 1.00 50.30 N ATOM 845 CA ASP A 50 15.351 -1.246 7.771 1.00 24.01 C ATOM 846 C ASP A 50 16.750 -0.651 7.901 1.00 11.41 C ATOM 847 O ASP A 50 17.176 0.147 7.065 1.00 31.43 O ATOM 848 CB ASP A 50 14.357 -0.429 8.598 1.00 61.32 C ATOM 849 CG ASP A 50 13.895 0.822 7.877 1.00 3.12 C ATOM 850 OD1 ASP A 50 14.571 1.865 8.006 1.00 33.20 O ATOM 851 OD2 ASP A 50 12.859 0.758 7.184 1.00 51.53 O ATOM 0 H ASP A 50 14.678 -2.848 8.946 1.00 50.30 H new ATOM 0 HA ASP A 50 15.055 -1.209 6.722 1.00 24.01 H new ATOM 0 HB2 ASP A 50 13.492 -1.048 8.836 1.00 61.32 H new ATOM 0 HB3 ASP A 50 14.820 -0.149 9.545 1.00 61.32 H new ATOM 856 N ARG A 51 17.459 -1.042 8.955 1.00 73.42 N ATOM 857 CA ARG A 51 18.808 -0.546 9.195 1.00 1.34 C ATOM 858 C ARG A 51 19.797 -1.160 8.209 1.00 25.15 C ATOM 859 O ARG A 51 20.824 -0.560 7.889 1.00 64.34 O ATOM 860 CB ARG A 51 19.241 -0.857 10.629 1.00 11.33 C ATOM 861 CG ARG A 51 18.977 0.279 11.605 1.00 64.31 C ATOM 862 CD ARG A 51 17.663 0.084 12.345 1.00 63.32 C ATOM 863 NE ARG A 51 17.532 0.997 13.476 1.00 14.55 N ATOM 864 CZ ARG A 51 18.210 0.865 14.611 1.00 71.02 C ATOM 865 NH1 ARG A 51 19.063 -0.138 14.763 1.00 24.15 N ATOM 866 NH2 ARG A 51 18.036 1.737 15.595 1.00 15.43 N ATOM 0 H ARG A 51 17.121 -1.701 9.656 1.00 73.42 H new ATOM 0 HA ARG A 51 18.802 0.534 9.051 1.00 1.34 H new ATOM 0 HB2 ARG A 51 18.717 -1.749 10.972 1.00 11.33 H new ATOM 0 HB3 ARG A 51 20.306 -1.090 10.636 1.00 11.33 H new ATOM 0 HG2 ARG A 51 19.795 0.340 12.323 1.00 64.31 H new ATOM 0 HG3 ARG A 51 18.955 1.226 11.065 1.00 64.31 H new ATOM 0 HD2 ARG A 51 16.833 0.239 11.656 1.00 63.32 H new ATOM 0 HD3 ARG A 51 17.596 -0.945 12.700 1.00 63.32 H new ATOM 0 HE ARG A 51 16.884 1.780 13.390 1.00 14.55 H new ATOM 0 HH11 ARG A 51 19.200 -0.810 14.008 1.00 24.15 H new ATOM 0 HH12 ARG A 51 19.583 -0.238 15.635 1.00 24.15 H new ATOM 0 HH21 ARG A 51 17.381 2.510 15.481 1.00 15.43 H new ATOM 0 HH22 ARG A 51 18.557 1.634 16.466 1.00 15.43 H new ATOM 880 N LEU A 52 19.482 -2.359 7.733 1.00 70.22 N ATOM 881 CA LEU A 52 20.343 -3.056 6.783 1.00 21.05 C ATOM 882 C LEU A 52 20.163 -2.499 5.375 1.00 61.22 C ATOM 883 O LEU A 52 19.338 -1.615 5.147 1.00 3.10 O ATOM 884 CB LEU A 52 20.039 -4.555 6.794 1.00 22.23 C ATOM 885 CG LEU A 52 20.569 -5.339 7.996 1.00 52.31 C ATOM 886 CD1 LEU A 52 19.902 -6.703 8.079 1.00 21.03 C ATOM 887 CD2 LEU A 52 22.081 -5.486 7.912 1.00 60.32 C ATOM 0 H LEU A 52 18.637 -2.869 7.989 1.00 70.22 H new ATOM 0 HA LEU A 52 21.378 -2.899 7.086 1.00 21.05 H new ATOM 0 HB2 LEU A 52 18.958 -4.686 6.748 1.00 22.23 H new ATOM 0 HB3 LEU A 52 20.453 -4.996 5.887 1.00 22.23 H new ATOM 0 HG LEU A 52 20.328 -4.784 8.903 1.00 52.31 H new ATOM 0 HD11 LEU A 52 20.291 -7.247 8.940 1.00 21.03 H new ATOM 0 HD12 LEU A 52 18.825 -6.575 8.187 1.00 21.03 H new ATOM 0 HD13 LEU A 52 20.111 -7.266 7.169 1.00 21.03 H new ATOM 0 HD21 LEU A 52 22.441 -6.046 8.775 1.00 60.32 H new ATOM 0 HD22 LEU A 52 22.345 -6.019 6.998 1.00 60.32 H new ATOM 0 HD23 LEU A 52 22.543 -4.499 7.902 1.00 60.32 H new ATOM 899 N ALA A 53 20.939 -3.025 4.433 1.00 44.22 N ATOM 900 CA ALA A 53 20.863 -2.583 3.046 1.00 73.53 C ATOM 901 C ALA A 53 20.023 -3.544 2.210 1.00 45.33 C ATOM 902 O ALA A 53 19.619 -4.606 2.685 1.00 51.14 O ATOM 903 CB ALA A 53 22.259 -2.450 2.456 1.00 1.35 C ATOM 0 H ALA A 53 21.627 -3.758 4.605 1.00 44.22 H new ATOM 0 HA ALA A 53 20.379 -1.607 3.028 1.00 73.53 H new ATOM 0 HB1 ALA A 53 22.186 -2.119 1.420 1.00 1.35 H new ATOM 0 HB2 ALA A 53 22.829 -1.720 3.031 1.00 1.35 H new ATOM 0 HB3 ALA A 53 22.764 -3.415 2.494 1.00 1.35 H new ATOM 909 N LEU A 54 19.764 -3.164 0.963 1.00 23.13 N ATOM 910 CA LEU A 54 18.972 -3.992 0.060 1.00 11.25 C ATOM 911 C LEU A 54 19.627 -5.354 -0.145 1.00 53.02 C ATOM 912 O LEU A 54 19.012 -6.392 0.098 1.00 75.22 O ATOM 913 CB LEU A 54 18.797 -3.289 -1.287 1.00 2.53 C ATOM 914 CG LEU A 54 17.469 -3.532 -2.004 1.00 31.41 C ATOM 915 CD1 LEU A 54 17.656 -3.466 -3.512 1.00 24.14 C ATOM 916 CD2 LEU A 54 16.881 -4.876 -1.596 1.00 45.31 C ATOM 0 H LEU A 54 20.091 -2.288 0.555 1.00 23.13 H new ATOM 0 HA LEU A 54 17.992 -4.145 0.512 1.00 11.25 H new ATOM 0 HB2 LEU A 54 18.912 -2.216 -1.132 1.00 2.53 H new ATOM 0 HB3 LEU A 54 19.606 -3.604 -1.946 1.00 2.53 H new ATOM 0 HG LEU A 54 16.771 -2.748 -1.711 1.00 31.41 H new ATOM 0 HD11 LEU A 54 16.700 -3.641 -4.005 1.00 24.14 H new ATOM 0 HD12 LEU A 54 18.032 -2.481 -3.789 1.00 24.14 H new ATOM 0 HD13 LEU A 54 18.370 -4.228 -3.824 1.00 24.14 H new ATOM 0 HD21 LEU A 54 15.936 -5.033 -2.116 1.00 45.31 H new ATOM 0 HD22 LEU A 54 17.577 -5.673 -1.860 1.00 45.31 H new ATOM 0 HD23 LEU A 54 16.709 -4.886 -0.520 1.00 45.31 H new ATOM 928 N TRP A 55 20.877 -5.342 -0.592 1.00 42.20 N ATOM 929 CA TRP A 55 21.616 -6.577 -0.828 1.00 44.21 C ATOM 930 C TRP A 55 21.412 -7.561 0.318 1.00 3.03 C ATOM 931 O TRP A 55 21.265 -8.763 0.099 1.00 74.50 O ATOM 932 CB TRP A 55 23.107 -6.278 -1.001 1.00 75.33 C ATOM 933 CG TRP A 55 23.777 -5.844 0.267 1.00 33.52 C ATOM 934 CD1 TRP A 55 23.918 -4.565 0.723 1.00 30.04 C ATOM 935 CD2 TRP A 55 24.398 -6.691 1.241 1.00 41.42 C ATOM 936 NE1 TRP A 55 24.590 -4.565 1.922 1.00 52.20 N ATOM 937 CE2 TRP A 55 24.895 -5.856 2.261 1.00 34.35 C ATOM 938 CE3 TRP A 55 24.582 -8.071 1.351 1.00 74.52 C ATOM 939 CZ2 TRP A 55 25.563 -6.360 3.375 1.00 55.53 C ATOM 940 CZ3 TRP A 55 25.245 -8.569 2.456 1.00 31.31 C ATOM 941 CH2 TRP A 55 25.728 -7.715 3.457 1.00 62.45 C ATOM 0 H TRP A 55 21.400 -4.491 -0.798 1.00 42.20 H new ATOM 0 HA TRP A 55 21.235 -7.030 -1.743 1.00 44.21 H new ATOM 0 HB2 TRP A 55 23.607 -7.169 -1.381 1.00 75.33 H new ATOM 0 HB3 TRP A 55 23.229 -5.499 -1.753 1.00 75.33 H new ATOM 0 HD1 TRP A 55 23.555 -3.683 0.216 1.00 30.04 H new ATOM 0 HE1 TRP A 55 24.824 -3.737 2.470 1.00 52.20 H new ATOM 0 HE3 TRP A 55 24.212 -8.737 0.586 1.00 74.52 H new ATOM 0 HZ2 TRP A 55 25.937 -5.704 4.147 1.00 55.53 H new ATOM 0 HZ3 TRP A 55 25.394 -9.635 2.550 1.00 31.31 H new ATOM 0 HH2 TRP A 55 26.240 -8.135 4.310 1.00 62.45 H new ATOM 952 N LYS A 56 21.405 -7.044 1.542 1.00 13.32 N ATOM 953 CA LYS A 56 21.217 -7.877 2.724 1.00 1.42 C ATOM 954 C LYS A 56 19.790 -8.411 2.792 1.00 21.12 C ATOM 955 O LYS A 56 19.574 -9.605 2.999 1.00 71.41 O ATOM 956 CB LYS A 56 21.535 -7.079 3.991 1.00 61.10 C ATOM 957 CG LYS A 56 21.660 -7.940 5.236 1.00 14.23 C ATOM 958 CD LYS A 56 22.718 -9.017 5.066 1.00 1.45 C ATOM 959 CE LYS A 56 23.252 -9.490 6.410 1.00 72.33 C ATOM 960 NZ LYS A 56 24.741 -9.503 6.442 1.00 74.34 N ATOM 0 H LYS A 56 21.527 -6.051 1.741 1.00 13.32 H new ATOM 0 HA LYS A 56 21.900 -8.724 2.654 1.00 1.42 H new ATOM 0 HB2 LYS A 56 22.466 -6.533 3.842 1.00 61.10 H new ATOM 0 HB3 LYS A 56 20.752 -6.337 4.149 1.00 61.10 H new ATOM 0 HG2 LYS A 56 21.913 -7.312 6.090 1.00 14.23 H new ATOM 0 HG3 LYS A 56 20.699 -8.405 5.456 1.00 14.23 H new ATOM 0 HD2 LYS A 56 22.295 -9.862 4.523 1.00 1.45 H new ATOM 0 HD3 LYS A 56 23.539 -8.630 4.463 1.00 1.45 H new ATOM 0 HE2 LYS A 56 22.878 -8.838 7.199 1.00 72.33 H new ATOM 0 HE3 LYS A 56 22.876 -10.492 6.618 1.00 72.33 H new ATOM 0 HZ1 LYS A 56 25.069 -9.292 7.406 1.00 74.34 H new ATOM 0 HZ2 LYS A 56 25.086 -10.442 6.157 1.00 74.34 H new ATOM 0 HZ3 LYS A 56 25.109 -8.785 5.786 1.00 74.34 H new ATOM 974 N ARG A 57 18.820 -7.520 2.616 1.00 41.14 N ATOM 975 CA ARG A 57 17.414 -7.903 2.657 1.00 50.23 C ATOM 976 C ARG A 57 17.119 -9.000 1.638 1.00 23.33 C ATOM 977 O ARG A 57 16.340 -9.914 1.904 1.00 20.21 O ATOM 978 CB ARG A 57 16.524 -6.688 2.385 1.00 25.22 C ATOM 979 CG ARG A 57 16.922 -5.453 3.177 1.00 33.22 C ATOM 980 CD ARG A 57 15.744 -4.888 3.955 1.00 10.25 C ATOM 981 NE ARG A 57 14.644 -4.497 3.077 1.00 24.32 N ATOM 982 CZ ARG A 57 14.611 -3.351 2.406 1.00 21.33 C ATOM 983 NH1 ARG A 57 15.612 -2.488 2.513 1.00 54.24 N ATOM 984 NH2 ARG A 57 13.576 -3.067 1.627 1.00 74.33 N ATOM 0 H ARG A 57 18.982 -6.528 2.444 1.00 41.14 H new ATOM 0 HA ARG A 57 17.198 -8.288 3.653 1.00 50.23 H new ATOM 0 HB2 ARG A 57 16.558 -6.454 1.321 1.00 25.22 H new ATOM 0 HB3 ARG A 57 15.491 -6.944 2.622 1.00 25.22 H new ATOM 0 HG2 ARG A 57 17.728 -5.705 3.866 1.00 33.22 H new ATOM 0 HG3 ARG A 57 17.310 -4.693 2.498 1.00 33.22 H new ATOM 0 HD2 ARG A 57 15.391 -5.632 4.669 1.00 10.25 H new ATOM 0 HD3 ARG A 57 16.072 -4.023 4.532 1.00 10.25 H new ATOM 0 HE ARG A 57 13.858 -5.139 2.973 1.00 24.32 H new ATOM 0 HH11 ARG A 57 16.409 -2.704 3.111 1.00 54.24 H new ATOM 0 HH12 ARG A 57 15.585 -1.609 1.997 1.00 54.24 H new ATOM 0 HH21 ARG A 57 12.804 -3.729 1.543 1.00 74.33 H new ATOM 0 HH22 ARG A 57 13.552 -2.187 1.112 1.00 74.33 H new ATOM 998 N ASN A 58 17.748 -8.902 0.471 1.00 1.15 N ATOM 999 CA ASN A 58 17.552 -9.885 -0.587 1.00 64.55 C ATOM 1000 C ASN A 58 18.114 -11.244 -0.178 1.00 54.15 C ATOM 1001 O ASN A 58 17.420 -12.259 -0.243 1.00 55.31 O ATOM 1002 CB ASN A 58 18.221 -9.413 -1.880 1.00 74.44 C ATOM 1003 CG ASN A 58 17.285 -8.596 -2.750 1.00 33.21 C ATOM 1004 OD1 ASN A 58 16.145 -8.991 -2.996 1.00 70.12 O ATOM 1005 ND2 ASN A 58 17.764 -7.450 -3.220 1.00 35.13 N ATOM 0 H ASN A 58 18.397 -8.152 0.235 1.00 1.15 H new ATOM 0 HA ASN A 58 16.481 -9.991 -0.757 1.00 64.55 H new ATOM 0 HB2 ASN A 58 19.099 -8.815 -1.635 1.00 74.44 H new ATOM 0 HB3 ASN A 58 18.572 -10.279 -2.442 1.00 74.44 H new ATOM 0 HD21 ASN A 58 17.181 -6.857 -3.811 1.00 35.13 H new ATOM 0 HD22 ASN A 58 18.715 -7.162 -2.990 1.00 35.13 H new ATOM 1012 N ASP A 59 19.373 -11.255 0.243 1.00 44.23 N ATOM 1013 CA ASP A 59 20.028 -12.488 0.664 1.00 1.12 C ATOM 1014 C ASP A 59 19.202 -13.206 1.727 1.00 51.02 C ATOM 1015 O ASP A 59 18.900 -14.393 1.597 1.00 64.22 O ATOM 1016 CB ASP A 59 21.427 -12.189 1.204 1.00 3.34 C ATOM 1017 CG ASP A 59 22.179 -13.446 1.594 1.00 72.53 C ATOM 1018 OD1 ASP A 59 22.054 -13.876 2.760 1.00 0.41 O ATOM 1019 OD2 ASP A 59 22.891 -14.002 0.732 1.00 61.32 O ATOM 0 H ASP A 59 19.961 -10.424 0.302 1.00 44.23 H new ATOM 0 HA ASP A 59 20.114 -13.140 -0.205 1.00 1.12 H new ATOM 0 HB2 ASP A 59 21.997 -11.648 0.448 1.00 3.34 H new ATOM 0 HB3 ASP A 59 21.346 -11.534 2.071 1.00 3.34 H new ATOM 1024 N LEU A 60 18.840 -12.479 2.778 1.00 34.21 N ATOM 1025 CA LEU A 60 18.049 -13.047 3.865 1.00 52.23 C ATOM 1026 C LEU A 60 16.733 -13.614 3.342 1.00 50.02 C ATOM 1027 O LEU A 60 16.270 -14.660 3.798 1.00 12.52 O ATOM 1028 CB LEU A 60 17.772 -11.984 4.929 1.00 0.04 C ATOM 1029 CG LEU A 60 18.996 -11.254 5.483 1.00 1.21 C ATOM 1030 CD1 LEU A 60 18.627 -9.842 5.910 1.00 3.52 C ATOM 1031 CD2 LEU A 60 19.596 -12.026 6.649 1.00 34.22 C ATOM 0 H LEU A 60 19.081 -11.496 2.901 1.00 34.21 H new ATOM 0 HA LEU A 60 18.621 -13.860 4.312 1.00 52.23 H new ATOM 0 HB2 LEU A 60 17.093 -11.244 4.506 1.00 0.04 H new ATOM 0 HB3 LEU A 60 17.250 -12.458 5.760 1.00 0.04 H new ATOM 0 HG LEU A 60 19.744 -11.189 4.693 1.00 1.21 H new ATOM 0 HD11 LEU A 60 19.510 -9.338 6.302 1.00 3.52 H new ATOM 0 HD12 LEU A 60 18.245 -9.290 5.051 1.00 3.52 H new ATOM 0 HD13 LEU A 60 17.861 -9.884 6.684 1.00 3.52 H new ATOM 0 HD21 LEU A 60 20.466 -11.491 7.030 1.00 34.22 H new ATOM 0 HD22 LEU A 60 18.854 -12.123 7.441 1.00 34.22 H new ATOM 0 HD23 LEU A 60 19.899 -13.017 6.312 1.00 34.22 H new ATOM 1043 N LYS A 61 16.136 -12.919 2.380 1.00 14.41 N ATOM 1044 CA LYS A 61 14.875 -13.353 1.791 1.00 34.42 C ATOM 1045 C LYS A 61 15.002 -14.757 1.208 1.00 51.02 C ATOM 1046 O LYS A 61 14.223 -15.651 1.539 1.00 24.41 O ATOM 1047 CB LYS A 61 14.433 -12.375 0.701 1.00 53.40 C ATOM 1048 CG LYS A 61 13.459 -11.317 1.191 1.00 2.24 C ATOM 1049 CD LYS A 61 12.669 -10.711 0.044 1.00 73.54 C ATOM 1050 CE LYS A 61 13.391 -9.517 -0.562 1.00 34.24 C ATOM 1051 NZ LYS A 61 12.482 -8.686 -1.398 1.00 51.45 N ATOM 0 H LYS A 61 16.506 -12.052 1.991 1.00 14.41 H new ATOM 0 HA LYS A 61 14.123 -13.372 2.579 1.00 34.42 H new ATOM 0 HB2 LYS A 61 15.313 -11.883 0.288 1.00 53.40 H new ATOM 0 HB3 LYS A 61 13.970 -12.935 -0.112 1.00 53.40 H new ATOM 0 HG2 LYS A 61 12.772 -11.760 1.913 1.00 2.24 H new ATOM 0 HG3 LYS A 61 14.006 -10.531 1.712 1.00 2.24 H new ATOM 0 HD2 LYS A 61 12.504 -11.466 -0.725 1.00 73.54 H new ATOM 0 HD3 LYS A 61 11.687 -10.401 0.401 1.00 73.54 H new ATOM 0 HE2 LYS A 61 13.813 -8.905 0.235 1.00 34.24 H new ATOM 0 HE3 LYS A 61 14.225 -9.867 -1.170 1.00 34.24 H new ATOM 0 HZ1 LYS A 61 13.027 -8.234 -2.159 1.00 51.45 H new ATOM 0 HZ2 LYS A 61 11.743 -9.289 -1.813 1.00 51.45 H new ATOM 0 HZ3 LYS A 61 12.039 -7.954 -0.807 1.00 51.45 H new ATOM 1065 N LYS A 62 15.989 -14.944 0.338 1.00 22.04 N ATOM 1066 CA LYS A 62 16.221 -16.239 -0.290 1.00 21.34 C ATOM 1067 C LYS A 62 16.400 -17.330 0.762 1.00 10.40 C ATOM 1068 O LYS A 62 15.883 -18.438 0.617 1.00 44.33 O ATOM 1069 CB LYS A 62 17.456 -16.178 -1.191 1.00 61.23 C ATOM 1070 CG LYS A 62 17.280 -15.281 -2.404 1.00 51.11 C ATOM 1071 CD LYS A 62 18.423 -14.288 -2.534 1.00 70.21 C ATOM 1072 CE LYS A 62 18.228 -13.367 -3.729 1.00 21.23 C ATOM 1073 NZ LYS A 62 19.488 -12.665 -4.099 1.00 61.44 N ATOM 0 H LYS A 62 16.642 -14.214 0.052 1.00 22.04 H new ATOM 0 HA LYS A 62 15.348 -16.482 -0.896 1.00 21.34 H new ATOM 0 HB2 LYS A 62 18.305 -15.822 -0.607 1.00 61.23 H new ATOM 0 HB3 LYS A 62 17.700 -17.186 -1.527 1.00 61.23 H new ATOM 0 HG2 LYS A 62 17.224 -15.892 -3.305 1.00 51.11 H new ATOM 0 HG3 LYS A 62 16.336 -14.742 -2.325 1.00 51.11 H new ATOM 0 HD2 LYS A 62 18.495 -13.694 -1.623 1.00 70.21 H new ATOM 0 HD3 LYS A 62 19.365 -14.827 -2.639 1.00 70.21 H new ATOM 0 HE2 LYS A 62 17.872 -13.947 -4.580 1.00 21.23 H new ATOM 0 HE3 LYS A 62 17.457 -12.632 -3.499 1.00 21.23 H new ATOM 0 HZ1 LYS A 62 19.314 -12.047 -4.917 1.00 61.44 H new ATOM 0 HZ2 LYS A 62 19.815 -12.091 -3.295 1.00 61.44 H new ATOM 0 HZ3 LYS A 62 20.217 -13.366 -4.343 1.00 61.44 H new ATOM 1087 N LYS A 63 17.134 -17.008 1.822 1.00 34.12 N ATOM 1088 CA LYS A 63 17.379 -17.959 2.900 1.00 13.44 C ATOM 1089 C LYS A 63 16.079 -18.324 3.610 1.00 53.32 C ATOM 1090 O LYS A 63 15.914 -19.447 4.084 1.00 71.31 O ATOM 1091 CB LYS A 63 18.374 -17.375 3.906 1.00 62.23 C ATOM 1092 CG LYS A 63 19.063 -18.426 4.760 1.00 53.14 C ATOM 1093 CD LYS A 63 20.152 -17.815 5.625 1.00 41.02 C ATOM 1094 CE LYS A 63 19.572 -16.875 6.671 1.00 71.52 C ATOM 1095 NZ LYS A 63 18.580 -17.562 7.544 1.00 71.03 N ATOM 0 H LYS A 63 17.570 -16.096 1.958 1.00 34.12 H new ATOM 0 HA LYS A 63 17.801 -18.864 2.463 1.00 13.44 H new ATOM 0 HB2 LYS A 63 19.130 -16.804 3.367 1.00 62.23 H new ATOM 0 HB3 LYS A 63 17.851 -16.675 4.558 1.00 62.23 H new ATOM 0 HG2 LYS A 63 18.327 -18.920 5.395 1.00 53.14 H new ATOM 0 HG3 LYS A 63 19.495 -19.193 4.117 1.00 53.14 H new ATOM 0 HD2 LYS A 63 20.714 -18.608 6.119 1.00 41.02 H new ATOM 0 HD3 LYS A 63 20.856 -17.271 4.995 1.00 41.02 H new ATOM 0 HE2 LYS A 63 20.378 -16.472 7.284 1.00 71.52 H new ATOM 0 HE3 LYS A 63 19.095 -16.029 6.175 1.00 71.52 H new ATOM 0 HZ1 LYS A 63 18.424 -16.997 8.403 1.00 71.03 H new ATOM 0 HZ2 LYS A 63 17.681 -17.668 7.031 1.00 71.03 H new ATOM 0 HZ3 LYS A 63 18.941 -18.501 7.808 1.00 71.03 H new ATOM 1109 N ALA A 64 15.158 -17.368 3.677 1.00 10.33 N ATOM 1110 CA ALA A 64 13.872 -17.590 4.325 1.00 35.44 C ATOM 1111 C ALA A 64 12.905 -18.313 3.393 1.00 21.34 C ATOM 1112 O ALA A 64 11.734 -18.505 3.724 1.00 50.23 O ATOM 1113 CB ALA A 64 13.276 -16.268 4.784 1.00 14.31 C ATOM 0 H ALA A 64 15.279 -16.432 3.290 1.00 10.33 H new ATOM 0 HA ALA A 64 14.038 -18.223 5.197 1.00 35.44 H new ATOM 0 HB1 ALA A 64 12.316 -16.450 5.266 1.00 14.31 H new ATOM 0 HB2 ALA A 64 13.953 -15.790 5.492 1.00 14.31 H new ATOM 0 HB3 ALA A 64 13.132 -15.615 3.923 1.00 14.31 H new ATOM 1119 N LEU A 65 13.402 -18.712 2.228 1.00 73.23 N ATOM 1120 CA LEU A 65 12.581 -19.414 1.246 1.00 25.15 C ATOM 1121 C LEU A 65 11.542 -18.479 0.636 1.00 5.24 C ATOM 1122 O LEU A 65 10.435 -18.899 0.300 1.00 73.15 O ATOM 1123 CB LEU A 65 11.887 -20.612 1.897 1.00 52.14 C ATOM 1124 CG LEU A 65 12.737 -21.438 2.863 1.00 40.14 C ATOM 1125 CD1 LEU A 65 11.855 -22.336 3.716 1.00 70.12 C ATOM 1126 CD2 LEU A 65 13.762 -22.264 2.099 1.00 53.24 C ATOM 0 H LEU A 65 14.369 -18.562 1.940 1.00 73.23 H new ATOM 0 HA LEU A 65 13.234 -19.769 0.449 1.00 25.15 H new ATOM 0 HB2 LEU A 65 11.010 -20.250 2.434 1.00 52.14 H new ATOM 0 HB3 LEU A 65 11.527 -21.271 1.107 1.00 52.14 H new ATOM 0 HG LEU A 65 13.270 -20.754 3.523 1.00 40.14 H new ATOM 0 HD11 LEU A 65 12.477 -22.916 4.397 1.00 70.12 H new ATOM 0 HD12 LEU A 65 11.161 -21.724 4.291 1.00 70.12 H new ATOM 0 HD13 LEU A 65 11.294 -23.013 3.072 1.00 70.12 H new ATOM 0 HD21 LEU A 65 14.358 -22.845 2.802 1.00 53.24 H new ATOM 0 HD22 LEU A 65 13.248 -22.939 1.414 1.00 53.24 H new ATOM 0 HD23 LEU A 65 14.415 -21.600 1.532 1.00 53.24 H new ATOM 1138 N LEU A 66 11.908 -17.209 0.495 1.00 74.42 N ATOM 1139 CA LEU A 66 11.008 -16.214 -0.077 1.00 51.25 C ATOM 1140 C LEU A 66 11.176 -16.135 -1.591 1.00 54.45 C ATOM 1141 O LEU A 66 10.233 -15.812 -2.315 1.00 2.21 O ATOM 1142 CB LEU A 66 11.269 -14.843 0.548 1.00 14.53 C ATOM 1143 CG LEU A 66 10.350 -14.447 1.705 1.00 52.12 C ATOM 1144 CD1 LEU A 66 11.081 -13.537 2.680 1.00 33.42 C ATOM 1145 CD2 LEU A 66 9.093 -13.768 1.179 1.00 21.44 C ATOM 0 H LEU A 66 12.821 -16.845 0.769 1.00 74.42 H new ATOM 0 HA LEU A 66 9.984 -16.517 0.142 1.00 51.25 H new ATOM 0 HB2 LEU A 66 12.299 -14.818 0.904 1.00 14.53 H new ATOM 0 HB3 LEU A 66 11.183 -14.088 -0.233 1.00 14.53 H new ATOM 0 HG LEU A 66 10.055 -15.352 2.236 1.00 52.12 H new ATOM 0 HD11 LEU A 66 10.412 -13.266 3.496 1.00 33.42 H new ATOM 0 HD12 LEU A 66 11.950 -14.058 3.082 1.00 33.42 H new ATOM 0 HD13 LEU A 66 11.406 -12.635 2.162 1.00 33.42 H new ATOM 0 HD21 LEU A 66 8.451 -13.493 2.016 1.00 21.44 H new ATOM 0 HD22 LEU A 66 9.369 -12.872 0.624 1.00 21.44 H new ATOM 0 HD23 LEU A 66 8.558 -14.452 0.521 1.00 21.44 H new ATOM 1157 N PHE A 67 12.381 -16.434 -2.064 1.00 51.55 N ATOM 1158 CA PHE A 67 12.672 -16.398 -3.493 1.00 1.51 C ATOM 1159 C PHE A 67 12.902 -17.805 -4.037 1.00 13.42 C ATOM 1160 O PHE A 67 13.607 -17.990 -5.028 1.00 4.25 O ATOM 1161 CB PHE A 67 13.902 -15.527 -3.763 1.00 35.44 C ATOM 1162 CG PHE A 67 13.656 -14.061 -3.551 1.00 2.14 C ATOM 1163 CD1 PHE A 67 12.370 -13.580 -3.361 1.00 64.44 C ATOM 1164 CD2 PHE A 67 14.711 -13.163 -3.540 1.00 2.11 C ATOM 1165 CE1 PHE A 67 12.142 -12.231 -3.167 1.00 31.31 C ATOM 1166 CE2 PHE A 67 14.489 -11.813 -3.345 1.00 51.45 C ATOM 1167 CZ PHE A 67 13.203 -11.346 -3.158 1.00 35.53 C ATOM 0 H PHE A 67 13.172 -16.704 -1.479 1.00 51.55 H new ATOM 0 HA PHE A 67 11.811 -15.967 -4.003 1.00 1.51 H new ATOM 0 HB2 PHE A 67 14.715 -15.849 -3.112 1.00 35.44 H new ATOM 0 HB3 PHE A 67 14.233 -15.687 -4.789 1.00 35.44 H new ATOM 0 HD1 PHE A 67 11.537 -14.267 -3.365 1.00 64.44 H new ATOM 0 HD2 PHE A 67 15.719 -13.522 -3.686 1.00 2.11 H new ATOM 0 HE1 PHE A 67 11.135 -11.869 -3.022 1.00 31.31 H new ATOM 0 HE2 PHE A 67 15.321 -11.124 -3.339 1.00 51.45 H new ATOM 0 HZ PHE A 67 13.027 -10.291 -3.005 1.00 35.53 H new TER 1177 PHE A 67