USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 9 THR OG1 : rot 33:sc= 0.628 USER MOD Single : A 10 MET CE :methyl 163:sc= -10.9! (180deg=-13.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 21 SER OG : rot 160:sc= 0.0161 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.0079) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= -0.109 (180deg=-0.613) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.14! K(o=-5.1!,f=-0.93) USER MOD Single : A 35 GLN : amide:sc= -1.77! C(o=-1.8!,f=-3.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -139:sc= -0.412 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -156:sc= 0.168 USER MOD Single : A 62 GLN : amide:sc= -12.9! C(o=-13!,f=-5.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 5.039 9.961 4.164 1.00 51.25 N ATOM 73 CA GLU A 7 5.037 9.328 2.851 1.00 24.44 C ATOM 74 C GLU A 7 5.168 7.813 2.977 1.00 31.22 C ATOM 75 O GLU A 7 6.099 7.309 3.605 1.00 12.44 O ATOM 76 CB GLU A 7 6.177 9.881 1.993 1.00 20.33 C ATOM 77 CG GLU A 7 7.466 10.105 2.765 1.00 22.51 C ATOM 78 CD GLU A 7 7.674 11.560 3.140 1.00 75.44 C ATOM 79 OE1 GLU A 7 6.675 12.244 3.441 1.00 1.52 O ATOM 80 OE2 GLU A 7 8.838 12.012 3.133 1.00 55.24 O ATOM 0 HA GLU A 7 4.086 9.553 2.368 1.00 24.44 H new ATOM 0 HB2 GLU A 7 6.370 9.191 1.172 1.00 20.33 H new ATOM 0 HB3 GLU A 7 5.861 10.825 1.548 1.00 20.33 H new ATOM 0 HG2 GLU A 7 7.453 9.498 3.670 1.00 22.51 H new ATOM 0 HG3 GLU A 7 8.309 9.764 2.164 1.00 22.51 H new ATOM 85 N VAL A 8 4.227 7.092 2.376 1.00 31.54 N ATOM 86 CA VAL A 8 4.237 5.634 2.420 1.00 32.24 C ATOM 87 C VAL A 8 4.763 5.049 1.113 1.00 2.21 C ATOM 88 O VAL A 8 4.223 5.313 0.039 1.00 11.31 O ATOM 89 CB VAL A 8 2.829 5.072 2.690 1.00 74.34 C ATOM 90 CG1 VAL A 8 1.819 5.672 1.726 1.00 24.12 C ATOM 91 CG2 VAL A 8 2.835 3.553 2.592 1.00 41.04 C ATOM 0 H VAL A 8 3.448 7.493 1.853 1.00 31.54 H new ATOM 0 HA VAL A 8 4.899 5.346 3.237 1.00 32.24 H new ATOM 0 HB VAL A 8 2.535 5.348 3.703 1.00 74.34 H new ATOM 0 HG11 VAL A 8 0.830 5.262 1.933 1.00 24.12 H new ATOM 0 HG12 VAL A 8 1.796 6.755 1.850 1.00 24.12 H new ATOM 0 HG13 VAL A 8 2.105 5.430 0.702 1.00 24.12 H new ATOM 0 HG21 VAL A 8 1.832 3.172 2.786 1.00 41.04 H new ATOM 0 HG22 VAL A 8 3.150 3.254 1.592 1.00 41.04 H new ATOM 0 HG23 VAL A 8 3.527 3.144 3.328 1.00 41.04 H new ATOM 101 N THR A 9 5.822 4.251 1.213 1.00 45.02 N ATOM 102 CA THR A 9 6.423 3.628 0.041 1.00 31.11 C ATOM 103 C THR A 9 6.535 2.117 0.217 1.00 4.20 C ATOM 104 O THR A 9 7.199 1.638 1.134 1.00 15.31 O ATOM 105 CB THR A 9 7.821 4.204 -0.248 1.00 41.41 C ATOM 106 OG1 THR A 9 8.691 3.958 0.863 1.00 21.12 O ATOM 107 CG2 THR A 9 7.746 5.700 -0.517 1.00 62.23 C ATOM 0 H THR A 9 6.281 4.021 2.094 1.00 45.02 H new ATOM 0 HA THR A 9 5.767 3.846 -0.802 1.00 31.11 H new ATOM 0 HB THR A 9 8.216 3.711 -1.136 1.00 41.41 H new ATOM 0 HG1 THR A 9 8.449 3.108 1.286 1.00 21.12 H new ATOM 0 HG21 THR A 9 8.746 6.084 -0.718 1.00 62.23 H new ATOM 0 HG22 THR A 9 7.106 5.883 -1.380 1.00 62.23 H new ATOM 0 HG23 THR A 9 7.332 6.206 0.355 1.00 62.23 H new ATOM 115 N MET A 10 5.879 1.373 -0.669 1.00 71.12 N ATOM 116 CA MET A 10 5.908 -0.083 -0.610 1.00 31.34 C ATOM 117 C MET A 10 7.173 -0.629 -1.266 1.00 42.42 C ATOM 118 O MET A 10 7.521 -0.246 -2.382 1.00 14.35 O ATOM 119 CB MET A 10 4.672 -0.667 -1.299 1.00 41.11 C ATOM 120 CG MET A 10 3.362 -0.086 -0.789 1.00 34.04 C ATOM 121 SD MET A 10 2.001 -0.318 -1.949 1.00 54.32 S ATOM 122 CE MET A 10 2.634 -1.665 -2.947 1.00 63.11 C ATOM 0 H MET A 10 5.322 1.754 -1.434 1.00 71.12 H new ATOM 0 HA MET A 10 5.906 -0.379 0.439 1.00 31.34 H new ATOM 0 HB2 MET A 10 4.746 -0.489 -2.372 1.00 41.11 H new ATOM 0 HB3 MET A 10 4.662 -1.747 -1.155 1.00 41.11 H new ATOM 0 HG2 MET A 10 3.107 -0.554 0.162 1.00 34.04 H new ATOM 0 HG3 MET A 10 3.492 0.979 -0.596 1.00 34.04 H new ATOM 0 HE1 MET A 10 1.815 -2.124 -3.501 1.00 63.11 H new ATOM 0 HE2 MET A 10 3.376 -1.281 -3.648 1.00 63.11 H new ATOM 0 HE3 MET A 10 3.097 -2.410 -2.300 1.00 63.11 H new ATOM 130 N LYS A 11 7.857 -1.525 -0.564 1.00 74.52 N ATOM 131 CA LYS A 11 9.084 -2.124 -1.077 1.00 72.43 C ATOM 132 C LYS A 11 8.855 -3.582 -1.465 1.00 53.52 C ATOM 133 O LYS A 11 8.305 -4.364 -0.690 1.00 50.13 O ATOM 134 CB LYS A 11 10.196 -2.033 -0.030 1.00 55.32 C ATOM 135 CG LYS A 11 11.487 -2.715 -0.452 1.00 31.15 C ATOM 136 CD LYS A 11 12.377 -1.778 -1.251 1.00 0.20 C ATOM 137 CE LYS A 11 13.034 -2.494 -2.421 1.00 63.32 C ATOM 138 NZ LYS A 11 13.673 -1.538 -3.369 1.00 74.45 N ATOM 0 H LYS A 11 7.583 -1.853 0.362 1.00 74.52 H new ATOM 0 HA LYS A 11 9.385 -1.572 -1.967 1.00 72.43 H new ATOM 0 HB2 LYS A 11 10.401 -0.983 0.179 1.00 55.32 H new ATOM 0 HB3 LYS A 11 9.846 -2.481 0.900 1.00 55.32 H new ATOM 0 HG2 LYS A 11 12.022 -3.061 0.432 1.00 31.15 H new ATOM 0 HG3 LYS A 11 11.255 -3.596 -1.050 1.00 31.15 H new ATOM 0 HD2 LYS A 11 11.785 -0.941 -1.621 1.00 0.20 H new ATOM 0 HD3 LYS A 11 13.146 -1.362 -0.600 1.00 0.20 H new ATOM 0 HE2 LYS A 11 13.785 -3.190 -2.046 1.00 63.32 H new ATOM 0 HE3 LYS A 11 12.287 -3.086 -2.950 1.00 63.32 H new ATOM 0 HZ1 LYS A 11 14.109 -2.065 -4.152 1.00 74.45 H new ATOM 0 HZ2 LYS A 11 12.953 -0.890 -3.747 1.00 74.45 H new ATOM 0 HZ3 LYS A 11 14.404 -0.991 -2.871 1.00 74.45 H new ATOM 148 N LYS A 12 9.285 -3.942 -2.670 1.00 21.23 N ATOM 149 CA LYS A 12 9.130 -5.307 -3.162 1.00 45.33 C ATOM 150 C LYS A 12 9.598 -6.316 -2.120 1.00 52.02 C ATOM 151 O LYS A 12 10.788 -6.409 -1.822 1.00 51.32 O ATOM 152 CB LYS A 12 9.917 -5.494 -4.461 1.00 72.52 C ATOM 153 CG LYS A 12 9.435 -6.665 -5.300 1.00 62.22 C ATOM 154 CD LYS A 12 9.472 -6.340 -6.784 1.00 12.20 C ATOM 155 CE LYS A 12 9.509 -7.602 -7.631 1.00 63.22 C ATOM 156 NZ LYS A 12 9.875 -7.312 -9.045 1.00 45.23 N ATOM 0 H LYS A 12 9.744 -3.308 -3.324 1.00 21.23 H new ATOM 0 HA LYS A 12 8.072 -5.479 -3.358 1.00 45.33 H new ATOM 0 HB2 LYS A 12 9.848 -4.581 -5.053 1.00 72.52 H new ATOM 0 HB3 LYS A 12 10.970 -5.639 -4.220 1.00 72.52 H new ATOM 0 HG2 LYS A 12 10.059 -7.537 -5.102 1.00 62.22 H new ATOM 0 HG3 LYS A 12 8.418 -6.928 -5.009 1.00 62.22 H new ATOM 0 HD2 LYS A 12 8.596 -5.748 -7.050 1.00 12.20 H new ATOM 0 HD3 LYS A 12 10.348 -5.729 -7.002 1.00 12.20 H new ATOM 0 HE2 LYS A 12 10.228 -8.303 -7.207 1.00 63.22 H new ATOM 0 HE3 LYS A 12 8.534 -8.088 -7.601 1.00 63.22 H new ATOM 0 HZ1 LYS A 12 9.889 -8.198 -9.589 1.00 45.23 H new ATOM 0 HZ2 LYS A 12 9.175 -6.663 -9.459 1.00 45.23 H new ATOM 0 HZ3 LYS A 12 10.817 -6.872 -9.077 1.00 45.23 H new ATOM 166 N GLY A 13 8.655 -7.074 -1.570 1.00 42.14 N ATOM 167 CA GLY A 13 8.992 -8.069 -0.568 1.00 45.55 C ATOM 168 C GLY A 13 8.848 -7.540 0.845 1.00 43.21 C ATOM 169 O GLY A 13 9.421 -8.094 1.784 1.00 40.23 O ATOM 0 H GLY A 13 7.663 -7.017 -1.800 1.00 42.14 H new ATOM 0 HA2 GLY A 13 8.348 -8.940 -0.694 1.00 45.55 H new ATOM 0 HA3 GLY A 13 10.017 -8.405 -0.724 1.00 45.55 H new ATOM 173 N ASP A 14 8.083 -6.465 0.999 1.00 15.34 N ATOM 174 CA ASP A 14 7.867 -5.859 2.308 1.00 22.50 C ATOM 175 C ASP A 14 6.409 -5.996 2.735 1.00 12.13 C ATOM 176 O ASP A 14 5.498 -5.880 1.913 1.00 1.41 O ATOM 177 CB ASP A 14 8.269 -4.385 2.285 1.00 13.43 C ATOM 178 CG ASP A 14 8.960 -3.953 3.563 1.00 43.44 C ATOM 179 OD1 ASP A 14 8.768 -4.625 4.597 1.00 63.33 O ATOM 180 OD2 ASP A 14 9.693 -2.941 3.530 1.00 61.14 O ATOM 0 H ASP A 14 7.601 -5.995 0.233 1.00 15.34 H new ATOM 0 HA ASP A 14 8.490 -6.385 3.032 1.00 22.50 H new ATOM 0 HB2 ASP A 14 8.932 -4.205 1.439 1.00 13.43 H new ATOM 0 HB3 ASP A 14 7.381 -3.772 2.130 1.00 13.43 H new ATOM 184 N ILE A 15 6.196 -6.242 4.022 1.00 65.13 N ATOM 185 CA ILE A 15 4.848 -6.393 4.558 1.00 31.01 C ATOM 186 C ILE A 15 4.317 -5.068 5.093 1.00 11.54 C ATOM 187 O ILE A 15 4.975 -4.398 5.890 1.00 74.44 O ATOM 188 CB ILE A 15 4.804 -7.443 5.684 1.00 75.00 C ATOM 189 CG1 ILE A 15 5.507 -8.728 5.241 1.00 31.13 C ATOM 190 CG2 ILE A 15 3.364 -7.732 6.084 1.00 12.41 C ATOM 191 CD1 ILE A 15 6.527 -9.232 6.237 1.00 70.23 C ATOM 0 H ILE A 15 6.939 -6.341 4.714 1.00 65.13 H new ATOM 0 HA ILE A 15 4.217 -6.728 3.735 1.00 31.01 H new ATOM 0 HB ILE A 15 5.329 -7.044 6.552 1.00 75.00 H new ATOM 0 HG12 ILE A 15 4.759 -9.503 5.075 1.00 31.13 H new ATOM 0 HG13 ILE A 15 6.001 -8.552 4.285 1.00 31.13 H new ATOM 0 HG21 ILE A 15 3.350 -8.476 6.881 1.00 12.41 H new ATOM 0 HG22 ILE A 15 2.893 -6.814 6.436 1.00 12.41 H new ATOM 0 HG23 ILE A 15 2.816 -8.113 5.222 1.00 12.41 H new ATOM 0 HD11 ILE A 15 6.986 -10.145 5.858 1.00 70.23 H new ATOM 0 HD12 ILE A 15 7.296 -8.474 6.385 1.00 70.23 H new ATOM 0 HD13 ILE A 15 6.035 -9.440 7.187 1.00 70.23 H new ATOM 202 N LEU A 16 3.121 -4.694 4.649 1.00 42.15 N ATOM 203 CA LEU A 16 2.499 -3.448 5.085 1.00 30.43 C ATOM 204 C LEU A 16 1.081 -3.696 5.589 1.00 5.01 C ATOM 205 O LEU A 16 0.253 -4.278 4.888 1.00 43.15 O ATOM 206 CB LEU A 16 2.476 -2.438 3.936 1.00 20.30 C ATOM 207 CG LEU A 16 3.629 -2.532 2.937 1.00 61.12 C ATOM 208 CD1 LEU A 16 3.138 -3.076 1.605 1.00 32.15 C ATOM 209 CD2 LEU A 16 4.284 -1.171 2.750 1.00 73.01 C ATOM 0 H LEU A 16 2.563 -5.235 3.988 1.00 42.15 H new ATOM 0 HA LEU A 16 3.090 -3.042 5.905 1.00 30.43 H new ATOM 0 HB2 LEU A 16 1.539 -2.558 3.392 1.00 20.30 H new ATOM 0 HB3 LEU A 16 2.471 -1.434 4.361 1.00 20.30 H new ATOM 0 HG LEU A 16 4.374 -3.221 3.335 1.00 61.12 H new ATOM 0 HD11 LEU A 16 3.973 -3.136 0.906 1.00 32.15 H new ATOM 0 HD12 LEU A 16 2.715 -4.070 1.751 1.00 32.15 H new ATOM 0 HD13 LEU A 16 2.373 -2.413 1.201 1.00 32.15 H new ATOM 0 HD21 LEU A 16 5.103 -1.256 2.036 1.00 73.01 H new ATOM 0 HD22 LEU A 16 3.547 -0.461 2.374 1.00 73.01 H new ATOM 0 HD23 LEU A 16 4.672 -0.819 3.706 1.00 73.01 H new ATOM 220 N THR A 17 0.806 -3.247 6.810 1.00 53.31 N ATOM 221 CA THR A 17 -0.512 -3.418 7.409 1.00 22.12 C ATOM 222 C THR A 17 -1.616 -3.156 6.391 1.00 32.43 C ATOM 223 O THR A 17 -1.673 -2.086 5.782 1.00 63.53 O ATOM 224 CB THR A 17 -0.708 -2.479 8.614 1.00 53.53 C ATOM 225 OG1 THR A 17 0.305 -2.725 9.596 1.00 44.24 O ATOM 226 CG2 THR A 17 -2.083 -2.674 9.235 1.00 33.44 C ATOM 0 H THR A 17 1.479 -2.762 7.403 1.00 53.31 H new ATOM 0 HA THR A 17 -0.573 -4.452 7.750 1.00 22.12 H new ATOM 0 HB THR A 17 -0.630 -1.450 8.262 1.00 53.53 H new ATOM 0 HG1 THR A 17 0.175 -2.123 10.358 1.00 44.24 H new ATOM 0 HG21 THR A 17 -2.198 -2.000 10.084 1.00 33.44 H new ATOM 0 HG22 THR A 17 -2.851 -2.457 8.493 1.00 33.44 H new ATOM 0 HG23 THR A 17 -2.186 -3.705 9.574 1.00 33.44 H new ATOM 234 N LEU A 18 -2.491 -4.139 6.209 1.00 64.10 N ATOM 235 CA LEU A 18 -3.595 -4.015 5.265 1.00 23.35 C ATOM 236 C LEU A 18 -4.596 -2.962 5.731 1.00 34.14 C ATOM 237 O LEU A 18 -5.707 -3.289 6.152 1.00 74.41 O ATOM 238 CB LEU A 18 -4.299 -5.362 5.092 1.00 1.31 C ATOM 239 CG LEU A 18 -5.250 -5.475 3.900 1.00 32.33 C ATOM 240 CD1 LEU A 18 -6.691 -5.281 4.346 1.00 65.01 C ATOM 241 CD2 LEU A 18 -4.883 -4.462 2.826 1.00 11.01 C ATOM 0 H LEU A 18 -2.457 -5.031 6.703 1.00 64.10 H new ATOM 0 HA LEU A 18 -3.185 -3.700 4.305 1.00 23.35 H new ATOM 0 HB2 LEU A 18 -3.538 -6.137 4.999 1.00 1.31 H new ATOM 0 HB3 LEU A 18 -4.861 -5.575 6.001 1.00 1.31 H new ATOM 0 HG LEU A 18 -5.153 -6.475 3.477 1.00 32.33 H new ATOM 0 HD11 LEU A 18 -7.353 -5.365 3.484 1.00 65.01 H new ATOM 0 HD12 LEU A 18 -6.951 -6.045 5.079 1.00 65.01 H new ATOM 0 HD13 LEU A 18 -6.803 -4.294 4.795 1.00 65.01 H new ATOM 0 HD21 LEU A 18 -5.571 -4.557 1.986 1.00 11.01 H new ATOM 0 HD22 LEU A 18 -4.950 -3.455 3.237 1.00 11.01 H new ATOM 0 HD23 LEU A 18 -3.865 -4.647 2.484 1.00 11.01 H new ATOM 252 N LEU A 19 -4.196 -1.698 5.652 1.00 3.30 N ATOM 253 CA LEU A 19 -5.058 -0.596 6.065 1.00 22.34 C ATOM 254 C LEU A 19 -6.378 -0.621 5.299 1.00 14.55 C ATOM 255 O LEU A 19 -6.625 -1.521 4.497 1.00 13.51 O ATOM 256 CB LEU A 19 -4.351 0.742 5.840 1.00 45.44 C ATOM 257 CG LEU A 19 -3.611 1.320 7.048 1.00 23.01 C ATOM 258 CD1 LEU A 19 -2.721 0.264 7.684 1.00 72.31 C ATOM 259 CD2 LEU A 19 -2.792 2.535 6.640 1.00 3.15 C ATOM 0 H LEU A 19 -3.281 -1.411 5.306 1.00 3.30 H new ATOM 0 HA LEU A 19 -5.273 -0.713 7.127 1.00 22.34 H new ATOM 0 HB2 LEU A 19 -3.637 0.621 5.025 1.00 45.44 H new ATOM 0 HB3 LEU A 19 -5.091 1.471 5.509 1.00 45.44 H new ATOM 0 HG LEU A 19 -4.349 1.635 7.785 1.00 23.01 H new ATOM 0 HD11 LEU A 19 -2.203 0.693 8.541 1.00 72.31 H new ATOM 0 HD12 LEU A 19 -3.332 -0.577 8.013 1.00 72.31 H new ATOM 0 HD13 LEU A 19 -1.989 -0.083 6.954 1.00 72.31 H new ATOM 0 HD21 LEU A 19 -2.273 2.933 7.512 1.00 3.15 H new ATOM 0 HD22 LEU A 19 -2.062 2.245 5.884 1.00 3.15 H new ATOM 0 HD23 LEU A 19 -3.453 3.299 6.232 1.00 3.15 H new ATOM 270 N ASN A 20 -7.222 0.375 5.550 1.00 55.53 N ATOM 271 CA ASN A 20 -8.515 0.468 4.884 1.00 1.32 C ATOM 272 C ASN A 20 -8.384 0.157 3.396 1.00 72.41 C ATOM 273 O ASN A 20 -7.929 0.991 2.614 1.00 53.41 O ATOM 274 CB ASN A 20 -9.110 1.866 5.073 1.00 33.13 C ATOM 275 CG ASN A 20 -10.447 1.833 5.789 1.00 34.42 C ATOM 276 OD1 ASN A 20 -10.506 1.866 7.018 1.00 20.24 O ATOM 277 ND2 ASN A 20 -11.528 1.766 5.020 1.00 13.41 N ATOM 0 H ASN A 20 -7.033 1.129 6.210 1.00 55.53 H new ATOM 0 HA ASN A 20 -9.181 -0.268 5.334 1.00 1.32 H new ATOM 0 HB2 ASN A 20 -8.412 2.481 5.641 1.00 33.13 H new ATOM 0 HB3 ASN A 20 -9.234 2.340 4.099 1.00 33.13 H new ATOM 0 HD21 ASN A 20 -12.455 1.740 5.445 1.00 13.41 H new ATOM 0 HD22 ASN A 20 -11.431 1.741 4.005 1.00 13.41 H new ATOM 283 N SER A 21 -8.786 -1.051 3.012 1.00 43.41 N ATOM 284 CA SER A 21 -8.711 -1.475 1.619 1.00 61.54 C ATOM 285 C SER A 21 -10.027 -1.201 0.897 1.00 32.14 C ATOM 286 O SER A 21 -10.253 -1.688 -0.212 1.00 63.21 O ATOM 287 CB SER A 21 -8.371 -2.964 1.536 1.00 14.03 C ATOM 288 OG SER A 21 -9.128 -3.715 2.469 1.00 11.43 O ATOM 0 H SER A 21 -9.167 -1.753 3.646 1.00 43.41 H new ATOM 0 HA SER A 21 -7.923 -0.902 1.131 1.00 61.54 H new ATOM 0 HB2 SER A 21 -8.566 -3.329 0.528 1.00 14.03 H new ATOM 0 HB3 SER A 21 -7.308 -3.108 1.727 1.00 14.03 H new ATOM 0 HG SER A 21 -9.144 -4.656 2.195 1.00 11.43 H new ATOM 293 N THR A 22 -10.892 -0.417 1.532 1.00 42.22 N ATOM 294 CA THR A 22 -12.185 -0.079 0.952 1.00 44.31 C ATOM 295 C THR A 22 -12.089 0.059 -0.563 1.00 32.31 C ATOM 296 O THR A 22 -12.815 -0.605 -1.303 1.00 15.34 O ATOM 297 CB THR A 22 -12.739 1.234 1.540 1.00 32.20 C ATOM 298 OG1 THR A 22 -13.927 1.621 0.842 1.00 73.10 O ATOM 299 CG2 THR A 22 -11.705 2.346 1.449 1.00 4.30 C ATOM 0 H THR A 22 -10.720 -0.004 2.449 1.00 42.22 H new ATOM 0 HA THR A 22 -12.864 -0.895 1.198 1.00 44.31 H new ATOM 0 HB THR A 22 -12.975 1.065 2.591 1.00 32.20 H new ATOM 0 HG1 THR A 22 -14.273 2.455 1.223 1.00 73.10 H new ATOM 0 HG21 THR A 22 -12.118 3.263 1.870 1.00 4.30 H new ATOM 0 HG22 THR A 22 -10.813 2.060 2.007 1.00 4.30 H new ATOM 0 HG23 THR A 22 -11.441 2.513 0.405 1.00 4.30 H new ATOM 307 N ASN A 23 -11.189 0.924 -1.018 1.00 32.44 N ATOM 308 CA ASN A 23 -10.998 1.147 -2.448 1.00 51.21 C ATOM 309 C ASN A 23 -10.660 -0.158 -3.162 1.00 44.34 C ATOM 310 O ASN A 23 -9.981 -1.023 -2.609 1.00 23.11 O ATOM 311 CB ASN A 23 -9.887 2.172 -2.680 1.00 0.42 C ATOM 312 CG ASN A 23 -10.430 3.546 -3.024 1.00 3.13 C ATOM 313 OD1 ASN A 23 -10.894 4.279 -2.151 1.00 21.13 O ATOM 314 ND2 ASN A 23 -10.374 3.901 -4.303 1.00 34.21 N ATOM 0 H ASN A 23 -10.581 1.482 -0.419 1.00 32.44 H new ATOM 0 HA ASN A 23 -11.931 1.533 -2.859 1.00 51.21 H new ATOM 0 HB2 ASN A 23 -9.269 2.242 -1.785 1.00 0.42 H new ATOM 0 HB3 ASN A 23 -9.241 1.827 -3.487 1.00 0.42 H new ATOM 0 HD21 ASN A 23 -10.724 4.813 -4.595 1.00 34.21 H new ATOM 0 HD22 ASN A 23 -9.981 3.261 -4.993 1.00 34.21 H new ATOM 320 N LYS A 24 -11.137 -0.292 -4.395 1.00 4.02 N ATOM 321 CA LYS A 24 -10.884 -1.490 -5.187 1.00 3.44 C ATOM 322 C LYS A 24 -9.634 -1.320 -6.045 1.00 71.54 C ATOM 323 O LYS A 24 -8.864 -2.264 -6.227 1.00 52.10 O ATOM 324 CB LYS A 24 -12.090 -1.799 -6.079 1.00 54.54 C ATOM 325 CG LYS A 24 -12.941 -2.949 -5.572 1.00 64.23 C ATOM 326 CD LYS A 24 -13.855 -3.488 -6.660 1.00 61.14 C ATOM 327 CE LYS A 24 -13.533 -4.938 -6.989 1.00 31.43 C ATOM 328 NZ LYS A 24 -12.099 -5.121 -7.346 1.00 70.42 N ATOM 0 H LYS A 24 -11.701 0.414 -4.868 1.00 4.02 H new ATOM 0 HA LYS A 24 -10.723 -2.322 -4.502 1.00 3.44 H new ATOM 0 HB2 LYS A 24 -12.710 -0.906 -6.159 1.00 54.54 H new ATOM 0 HB3 LYS A 24 -11.738 -2.034 -7.084 1.00 54.54 H new ATOM 0 HG2 LYS A 24 -12.295 -3.748 -5.209 1.00 64.23 H new ATOM 0 HG3 LYS A 24 -13.540 -2.614 -4.725 1.00 64.23 H new ATOM 0 HD2 LYS A 24 -14.893 -3.409 -6.337 1.00 61.14 H new ATOM 0 HD3 LYS A 24 -13.753 -2.878 -7.558 1.00 61.14 H new ATOM 0 HE2 LYS A 24 -13.777 -5.567 -6.133 1.00 31.43 H new ATOM 0 HE3 LYS A 24 -14.159 -5.270 -7.818 1.00 31.43 H new ATOM 0 HZ1 LYS A 24 -12.002 -5.932 -7.990 1.00 70.42 H new ATOM 0 HZ2 LYS A 24 -11.746 -4.262 -7.815 1.00 70.42 H new ATOM 0 HZ3 LYS A 24 -11.546 -5.297 -6.483 1.00 70.42 H new ATOM 338 N ASP A 25 -9.438 -0.114 -6.566 1.00 61.40 N ATOM 339 CA ASP A 25 -8.279 0.178 -7.401 1.00 22.52 C ATOM 340 C ASP A 25 -7.122 0.706 -6.560 1.00 3.21 C ATOM 341 O ASP A 25 -6.046 0.999 -7.082 1.00 64.23 O ATOM 342 CB ASP A 25 -8.647 1.196 -8.483 1.00 63.34 C ATOM 343 CG ASP A 25 -9.830 0.749 -9.320 1.00 51.14 C ATOM 344 OD1 ASP A 25 -10.978 1.058 -8.938 1.00 13.44 O ATOM 345 OD2 ASP A 25 -9.607 0.091 -10.357 1.00 72.32 O ATOM 0 H ASP A 25 -10.066 0.677 -6.425 1.00 61.40 H new ATOM 0 HA ASP A 25 -7.963 -0.750 -7.878 1.00 22.52 H new ATOM 0 HB2 ASP A 25 -8.878 2.153 -8.014 1.00 63.34 H new ATOM 0 HB3 ASP A 25 -7.787 1.359 -9.132 1.00 63.34 H new ATOM 349 N TRP A 26 -7.352 0.827 -5.258 1.00 60.20 N ATOM 350 CA TRP A 26 -6.329 1.322 -4.344 1.00 54.32 C ATOM 351 C TRP A 26 -6.540 0.772 -2.938 1.00 33.31 C ATOM 352 O TRP A 26 -7.598 0.966 -2.338 1.00 12.24 O ATOM 353 CB TRP A 26 -6.340 2.851 -4.312 1.00 14.25 C ATOM 354 CG TRP A 26 -5.885 3.475 -5.597 1.00 2.04 C ATOM 355 CD1 TRP A 26 -6.608 3.599 -6.750 1.00 42.42 C ATOM 356 CD2 TRP A 26 -4.604 4.059 -5.861 1.00 45.20 C ATOM 357 NE1 TRP A 26 -5.854 4.224 -7.713 1.00 42.43 N ATOM 358 CE2 TRP A 26 -4.621 4.518 -7.192 1.00 20.11 C ATOM 359 CE3 TRP A 26 -3.446 4.241 -5.100 1.00 43.12 C ATOM 360 CZ2 TRP A 26 -3.524 5.144 -7.777 1.00 12.22 C ATOM 361 CZ3 TRP A 26 -2.358 4.863 -5.682 1.00 31.42 C ATOM 362 CH2 TRP A 26 -2.403 5.309 -7.010 1.00 73.45 C ATOM 0 H TRP A 26 -8.238 0.589 -4.811 1.00 60.20 H new ATOM 0 HA TRP A 26 -5.360 0.979 -4.706 1.00 54.32 H new ATOM 0 HB2 TRP A 26 -7.349 3.195 -4.086 1.00 14.25 H new ATOM 0 HB3 TRP A 26 -5.697 3.195 -3.502 1.00 14.25 H new ATOM 0 HD1 TRP A 26 -7.623 3.256 -6.884 1.00 42.42 H new ATOM 0 HE1 TRP A 26 -6.162 4.435 -8.662 1.00 42.43 H new ATOM 0 HE3 TRP A 26 -3.402 3.902 -4.076 1.00 43.12 H new ATOM 0 HZ2 TRP A 26 -3.557 5.487 -8.800 1.00 12.22 H new ATOM 0 HZ3 TRP A 26 -1.457 5.008 -5.104 1.00 31.42 H new ATOM 0 HH2 TRP A 26 -1.536 5.792 -7.436 1.00 73.45 H new ATOM 372 N TRP A 27 -5.530 0.083 -2.419 1.00 13.31 N ATOM 373 CA TRP A 27 -5.607 -0.496 -1.083 1.00 22.03 C ATOM 374 C TRP A 27 -4.707 0.257 -0.110 1.00 40.53 C ATOM 375 O TRP A 27 -3.483 0.248 -0.246 1.00 64.32 O ATOM 376 CB TRP A 27 -5.213 -1.973 -1.121 1.00 34.30 C ATOM 377 CG TRP A 27 -6.385 -2.897 -1.258 1.00 72.51 C ATOM 378 CD1 TRP A 27 -7.644 -2.569 -1.673 1.00 42.20 C ATOM 379 CD2 TRP A 27 -6.407 -4.302 -0.977 1.00 12.25 C ATOM 380 NE1 TRP A 27 -8.447 -3.684 -1.667 1.00 2.11 N ATOM 381 CE2 TRP A 27 -7.712 -4.760 -1.245 1.00 23.25 C ATOM 382 CE3 TRP A 27 -5.452 -5.216 -0.528 1.00 74.10 C ATOM 383 CZ2 TRP A 27 -8.082 -6.091 -1.076 1.00 3.12 C ATOM 384 CZ3 TRP A 27 -5.821 -6.537 -0.360 1.00 13.13 C ATOM 385 CH2 TRP A 27 -7.126 -6.965 -0.635 1.00 20.33 C ATOM 0 H TRP A 27 -4.649 -0.088 -2.903 1.00 13.31 H new ATOM 0 HA TRP A 27 -6.637 -0.410 -0.737 1.00 22.03 H new ATOM 0 HB2 TRP A 27 -4.530 -2.138 -1.954 1.00 34.30 H new ATOM 0 HB3 TRP A 27 -4.669 -2.220 -0.209 1.00 34.30 H new ATOM 0 HD1 TRP A 27 -7.962 -1.579 -1.963 1.00 42.20 H new ATOM 0 HE1 TRP A 27 -9.431 -3.707 -1.934 1.00 2.11 H new ATOM 0 HE3 TRP A 27 -4.443 -4.896 -0.316 1.00 74.10 H new ATOM 0 HZ2 TRP A 27 -9.088 -6.422 -1.286 1.00 3.12 H new ATOM 0 HZ3 TRP A 27 -5.091 -7.252 -0.011 1.00 13.13 H new ATOM 0 HH2 TRP A 27 -7.383 -8.005 -0.496 1.00 20.33 H new ATOM 395 N LYS A 28 -5.320 0.911 0.872 1.00 75.43 N ATOM 396 CA LYS A 28 -4.574 1.669 1.869 1.00 40.31 C ATOM 397 C LYS A 28 -3.659 0.754 2.675 1.00 74.33 C ATOM 398 O LYS A 28 -4.070 -0.318 3.119 1.00 72.22 O ATOM 399 CB LYS A 28 -5.537 2.401 2.807 1.00 74.42 C ATOM 400 CG LYS A 28 -4.934 3.637 3.453 1.00 33.52 C ATOM 401 CD LYS A 28 -5.745 4.090 4.655 1.00 24.24 C ATOM 402 CE LYS A 28 -5.352 5.490 5.098 1.00 13.24 C ATOM 403 NZ LYS A 28 -6.453 6.169 5.836 1.00 1.33 N ATOM 0 H LYS A 28 -6.332 0.931 0.998 1.00 75.43 H new ATOM 0 HA LYS A 28 -3.958 2.401 1.347 1.00 40.31 H new ATOM 0 HB2 LYS A 28 -6.426 2.691 2.247 1.00 74.42 H new ATOM 0 HB3 LYS A 28 -5.862 1.714 3.589 1.00 74.42 H new ATOM 0 HG2 LYS A 28 -3.911 3.424 3.763 1.00 33.52 H new ATOM 0 HG3 LYS A 28 -4.885 4.444 2.721 1.00 33.52 H new ATOM 0 HD2 LYS A 28 -6.806 4.070 4.407 1.00 24.24 H new ATOM 0 HD3 LYS A 28 -5.597 3.392 5.479 1.00 24.24 H new ATOM 0 HE2 LYS A 28 -4.469 5.435 5.734 1.00 13.24 H new ATOM 0 HE3 LYS A 28 -5.080 6.084 4.225 1.00 13.24 H new ATOM 0 HZ1 LYS A 28 -6.145 7.121 6.121 1.00 1.33 H new ATOM 0 HZ2 LYS A 28 -7.288 6.245 5.221 1.00 1.33 H new ATOM 0 HZ3 LYS A 28 -6.696 5.616 6.683 1.00 1.33 H new ATOM 413 N VAL A 29 -2.415 1.185 2.864 1.00 60.11 N ATOM 414 CA VAL A 29 -1.442 0.405 3.619 1.00 13.41 C ATOM 415 C VAL A 29 -0.510 1.312 4.415 1.00 12.25 C ATOM 416 O VAL A 29 -0.075 2.353 3.924 1.00 52.42 O ATOM 417 CB VAL A 29 -0.600 -0.492 2.692 1.00 63.24 C ATOM 418 CG1 VAL A 29 -1.500 -1.405 1.872 1.00 75.34 C ATOM 419 CG2 VAL A 29 0.281 0.355 1.787 1.00 51.04 C ATOM 0 H VAL A 29 -2.058 2.070 2.504 1.00 60.11 H new ATOM 0 HA VAL A 29 -2.006 -0.225 4.307 1.00 13.41 H new ATOM 0 HB VAL A 29 0.047 -1.116 3.308 1.00 63.24 H new ATOM 0 HG11 VAL A 29 -0.888 -2.031 1.223 1.00 75.34 H new ATOM 0 HG12 VAL A 29 -2.084 -2.037 2.541 1.00 75.34 H new ATOM 0 HG13 VAL A 29 -2.174 -0.801 1.264 1.00 75.34 H new ATOM 0 HG21 VAL A 29 0.869 -0.295 1.139 1.00 51.04 H new ATOM 0 HG22 VAL A 29 -0.344 1.006 1.176 1.00 51.04 H new ATOM 0 HG23 VAL A 29 0.951 0.962 2.396 1.00 51.04 H new ATOM 429 N GLU A 30 -0.207 0.908 5.645 1.00 24.25 N ATOM 430 CA GLU A 30 0.674 1.686 6.508 1.00 2.13 C ATOM 431 C GLU A 30 2.121 1.219 6.370 1.00 3.31 C ATOM 432 O GLU A 30 2.386 0.111 5.907 1.00 33.12 O ATOM 433 CB GLU A 30 0.226 1.571 7.967 1.00 14.11 C ATOM 434 CG GLU A 30 1.287 2.006 8.965 1.00 21.05 C ATOM 435 CD GLU A 30 0.770 2.035 10.390 1.00 3.53 C ATOM 436 OE1 GLU A 30 0.199 1.018 10.834 1.00 22.25 O ATOM 437 OE2 GLU A 30 0.935 3.076 11.060 1.00 2.13 O ATOM 0 H GLU A 30 -0.558 0.048 6.066 1.00 24.25 H new ATOM 0 HA GLU A 30 0.616 2.730 6.199 1.00 2.13 H new ATOM 0 HB2 GLU A 30 -0.668 2.177 8.113 1.00 14.11 H new ATOM 0 HB3 GLU A 30 -0.052 0.537 8.173 1.00 14.11 H new ATOM 0 HG2 GLU A 30 2.137 1.327 8.905 1.00 21.05 H new ATOM 0 HG3 GLU A 30 1.651 2.997 8.694 1.00 21.05 H new ATOM 442 N VAL A 31 3.053 2.076 6.776 1.00 20.42 N ATOM 443 CA VAL A 31 4.473 1.752 6.698 1.00 0.53 C ATOM 444 C VAL A 31 5.217 2.246 7.935 1.00 30.34 C ATOM 445 O VAL A 31 5.762 3.349 7.945 1.00 33.51 O ATOM 446 CB VAL A 31 5.121 2.369 5.444 1.00 33.30 C ATOM 447 CG1 VAL A 31 6.636 2.385 5.579 1.00 31.51 C ATOM 448 CG2 VAL A 31 4.697 1.606 4.197 1.00 20.20 C ATOM 0 H VAL A 31 2.851 2.998 7.162 1.00 20.42 H new ATOM 0 HA VAL A 31 4.548 0.666 6.640 1.00 0.53 H new ATOM 0 HB VAL A 31 4.778 3.399 5.347 1.00 33.30 H new ATOM 0 HG11 VAL A 31 7.076 2.824 4.684 1.00 31.51 H new ATOM 0 HG12 VAL A 31 6.917 2.977 6.450 1.00 31.51 H new ATOM 0 HG13 VAL A 31 7.001 1.365 5.700 1.00 31.51 H new ATOM 0 HG21 VAL A 31 5.163 2.055 3.320 1.00 20.20 H new ATOM 0 HG22 VAL A 31 5.011 0.566 4.283 1.00 20.20 H new ATOM 0 HG23 VAL A 31 3.613 1.651 4.094 1.00 20.20 H new ATOM 458 N ASN A 32 5.235 1.420 8.975 1.00 60.44 N ATOM 459 CA ASN A 32 5.912 1.771 10.218 1.00 42.41 C ATOM 460 C ASN A 32 5.233 2.961 10.890 1.00 0.11 C ATOM 461 O ASN A 32 4.559 2.810 11.909 1.00 52.14 O ATOM 462 CB ASN A 32 7.383 2.095 9.948 1.00 22.31 C ATOM 463 CG ASN A 32 8.131 0.922 9.344 1.00 2.30 C ATOM 464 OD1 ASN A 32 9.287 0.667 9.684 1.00 24.14 O ATOM 465 ND2 ASN A 32 7.473 0.202 8.442 1.00 72.14 N ATOM 0 H ASN A 32 4.789 0.503 8.982 1.00 60.44 H new ATOM 0 HA ASN A 32 5.853 0.914 10.889 1.00 42.41 H new ATOM 0 HB2 ASN A 32 7.446 2.949 9.274 1.00 22.31 H new ATOM 0 HB3 ASN A 32 7.865 2.389 10.881 1.00 22.31 H new ATOM 0 HD21 ASN A 32 7.925 -0.599 8.001 1.00 72.14 H new ATOM 0 HD22 ASN A 32 6.516 0.450 8.191 1.00 72.14 H new ATOM 471 N ASP A 33 5.416 4.143 10.312 1.00 22.22 N ATOM 472 CA ASP A 33 4.819 5.359 10.853 1.00 34.24 C ATOM 473 C ASP A 33 4.219 6.211 9.739 1.00 13.43 C ATOM 474 O ASP A 33 3.681 7.290 9.990 1.00 52.12 O ATOM 475 CB ASP A 33 5.866 6.167 11.622 1.00 72.04 C ATOM 476 CG ASP A 33 5.240 7.137 12.604 1.00 53.11 C ATOM 477 OD1 ASP A 33 4.900 6.708 13.727 1.00 42.51 O ATOM 478 OD2 ASP A 33 5.092 8.325 12.251 1.00 4.53 O ATOM 0 H ASP A 33 5.973 4.285 9.469 1.00 22.22 H new ATOM 0 HA ASP A 33 4.020 5.070 11.536 1.00 34.24 H new ATOM 0 HB2 ASP A 33 6.525 5.485 12.159 1.00 72.04 H new ATOM 0 HB3 ASP A 33 6.486 6.719 10.916 1.00 72.04 H new ATOM 482 N ARG A 34 4.315 5.720 8.508 1.00 14.34 N ATOM 483 CA ARG A 34 3.784 6.438 7.355 1.00 4.12 C ATOM 484 C ARG A 34 2.766 5.585 6.605 1.00 63.13 C ATOM 485 O ARG A 34 3.060 4.458 6.207 1.00 45.23 O ATOM 486 CB ARG A 34 4.918 6.844 6.412 1.00 42.03 C ATOM 487 CG ARG A 34 6.304 6.614 6.993 1.00 5.23 C ATOM 488 CD ARG A 34 7.371 6.628 5.909 1.00 35.42 C ATOM 489 NE ARG A 34 8.689 6.277 6.434 1.00 4.33 N ATOM 490 CZ ARG A 34 9.665 5.770 5.689 1.00 41.35 C ATOM 491 NH1 ARG A 34 9.473 5.555 4.395 1.00 43.24 N ATOM 492 NH2 ARG A 34 10.836 5.478 6.239 1.00 55.15 N ATOM 0 H ARG A 34 4.755 4.828 8.283 1.00 14.34 H new ATOM 0 HA ARG A 34 3.284 7.336 7.718 1.00 4.12 H new ATOM 0 HB2 ARG A 34 4.825 6.282 5.482 1.00 42.03 H new ATOM 0 HB3 ARG A 34 4.809 7.899 6.159 1.00 42.03 H new ATOM 0 HG2 ARG A 34 6.523 7.386 7.731 1.00 5.23 H new ATOM 0 HG3 ARG A 34 6.327 5.658 7.515 1.00 5.23 H new ATOM 0 HD2 ARG A 34 7.096 5.927 5.121 1.00 35.42 H new ATOM 0 HD3 ARG A 34 7.413 7.618 5.455 1.00 35.42 H new ATOM 0 HE ARG A 34 8.869 6.430 7.426 1.00 4.33 H new ATOM 0 HH11 ARG A 34 8.574 5.779 3.969 1.00 43.24 H new ATOM 0 HH12 ARG A 34 10.224 5.166 3.826 1.00 43.24 H new ATOM 0 HH21 ARG A 34 10.987 5.643 7.234 1.00 55.15 H new ATOM 0 HH22 ARG A 34 11.585 5.089 5.667 1.00 55.15 H new ATOM 503 N GLN A 35 1.568 6.130 6.417 1.00 53.54 N ATOM 504 CA GLN A 35 0.506 5.418 5.717 1.00 31.04 C ATOM 505 C GLN A 35 -0.013 6.236 4.539 1.00 34.12 C ATOM 506 O GLN A 35 0.214 7.442 4.460 1.00 11.32 O ATOM 507 CB GLN A 35 -0.641 5.097 6.676 1.00 11.45 C ATOM 508 CG GLN A 35 -0.316 5.387 8.132 1.00 33.03 C ATOM 509 CD GLN A 35 -1.375 4.864 9.082 1.00 11.14 C ATOM 510 OE1 GLN A 35 -2.561 4.837 8.752 1.00 65.23 O ATOM 511 NE2 GLN A 35 -0.952 4.445 10.269 1.00 52.20 N ATOM 0 H GLN A 35 1.309 7.062 6.740 1.00 53.54 H new ATOM 0 HA GLN A 35 0.920 4.485 5.334 1.00 31.04 H new ATOM 0 HB2 GLN A 35 -1.518 5.675 6.386 1.00 11.45 H new ATOM 0 HB3 GLN A 35 -0.905 4.044 6.574 1.00 11.45 H new ATOM 0 HG2 GLN A 35 0.645 4.937 8.382 1.00 33.03 H new ATOM 0 HG3 GLN A 35 -0.210 6.463 8.269 1.00 33.03 H new ATOM 0 HE21 GLN A 35 0.041 4.486 10.500 1.00 52.20 H new ATOM 0 HE22 GLN A 35 -1.620 4.083 10.950 1.00 52.20 H new ATOM 518 N GLY A 36 -0.711 5.570 3.624 1.00 12.42 N ATOM 519 CA GLY A 36 -1.251 6.252 2.461 1.00 23.10 C ATOM 520 C GLY A 36 -1.946 5.304 1.504 1.00 71.43 C ATOM 521 O GLY A 36 -1.880 4.085 1.667 1.00 53.35 O ATOM 0 H GLY A 36 -0.912 4.571 3.667 1.00 12.42 H new ATOM 0 HA2 GLY A 36 -1.957 7.016 2.787 1.00 23.10 H new ATOM 0 HA3 GLY A 36 -0.444 6.765 1.937 1.00 23.10 H new ATOM 525 N PHE A 37 -2.617 5.863 0.503 1.00 42.23 N ATOM 526 CA PHE A 37 -3.330 5.059 -0.483 1.00 0.00 C ATOM 527 C PHE A 37 -2.377 4.546 -1.558 1.00 3.43 C ATOM 528 O PHE A 37 -1.598 5.310 -2.129 1.00 10.12 O ATOM 529 CB PHE A 37 -4.450 5.879 -1.127 1.00 41.13 C ATOM 530 CG PHE A 37 -5.663 6.028 -0.253 1.00 13.05 C ATOM 531 CD1 PHE A 37 -6.656 5.061 -0.254 1.00 40.34 C ATOM 532 CD2 PHE A 37 -5.809 7.134 0.569 1.00 22.13 C ATOM 533 CE1 PHE A 37 -7.772 5.196 0.548 1.00 44.14 C ATOM 534 CE2 PHE A 37 -6.925 7.274 1.373 1.00 74.33 C ATOM 535 CZ PHE A 37 -7.907 6.303 1.364 1.00 74.11 C ATOM 0 H PHE A 37 -2.682 6.870 0.353 1.00 42.23 H new ATOM 0 HA PHE A 37 -3.766 4.202 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.068 6.869 -1.376 1.00 41.13 H new ATOM 0 HB3 PHE A 37 -4.743 5.406 -2.064 1.00 41.13 H new ATOM 0 HD1 PHE A 37 -6.556 4.193 -0.889 1.00 40.34 H new ATOM 0 HD2 PHE A 37 -5.043 7.895 0.582 1.00 22.13 H new ATOM 0 HE1 PHE A 37 -8.539 4.436 0.537 1.00 44.14 H new ATOM 0 HE2 PHE A 37 -7.029 8.142 2.007 1.00 74.33 H new ATOM 0 HZ PHE A 37 -8.778 6.409 1.993 1.00 74.11 H new ATOM 544 N VAL A 38 -2.444 3.247 -1.830 1.00 24.32 N ATOM 545 CA VAL A 38 -1.589 2.631 -2.836 1.00 31.43 C ATOM 546 C VAL A 38 -2.381 1.678 -3.723 1.00 22.53 C ATOM 547 O VAL A 38 -3.420 1.144 -3.330 1.00 31.23 O ATOM 548 CB VAL A 38 -0.423 1.860 -2.188 1.00 41.02 C ATOM 549 CG1 VAL A 38 0.645 2.824 -1.694 1.00 13.51 C ATOM 550 CG2 VAL A 38 -0.930 0.986 -1.050 1.00 4.13 C ATOM 0 H VAL A 38 -3.083 2.600 -1.367 1.00 24.32 H new ATOM 0 HA VAL A 38 -1.186 3.440 -3.445 1.00 31.43 H new ATOM 0 HB VAL A 38 0.025 1.213 -2.942 1.00 41.02 H new ATOM 0 HG11 VAL A 38 1.461 2.262 -1.239 1.00 13.51 H new ATOM 0 HG12 VAL A 38 1.028 3.404 -2.534 1.00 13.51 H new ATOM 0 HG13 VAL A 38 0.213 3.498 -0.955 1.00 13.51 H new ATOM 0 HG21 VAL A 38 -0.093 0.449 -0.604 1.00 4.13 H new ATOM 0 HG22 VAL A 38 -1.404 1.612 -0.294 1.00 4.13 H new ATOM 0 HG23 VAL A 38 -1.656 0.271 -1.436 1.00 4.13 H new ATOM 560 N PRO A 39 -1.884 1.456 -4.949 1.00 51.15 N ATOM 561 CA PRO A 39 -2.530 0.565 -5.917 1.00 52.43 C ATOM 562 C PRO A 39 -2.437 -0.900 -5.508 1.00 32.40 C ATOM 563 O PRO A 39 -1.343 -1.447 -5.366 1.00 53.04 O ATOM 564 CB PRO A 39 -1.742 0.812 -7.206 1.00 60.43 C ATOM 565 CG PRO A 39 -0.406 1.285 -6.749 1.00 53.05 C ATOM 566 CD PRO A 39 -0.651 2.059 -5.483 1.00 31.14 C ATOM 0 HA PRO A 39 -3.597 0.767 -6.008 1.00 52.43 H new ATOM 0 HB2 PRO A 39 -1.658 -0.099 -7.799 1.00 60.43 H new ATOM 0 HB3 PRO A 39 -2.232 1.557 -7.833 1.00 60.43 H new ATOM 0 HG2 PRO A 39 0.265 0.445 -6.569 1.00 53.05 H new ATOM 0 HG3 PRO A 39 0.065 1.913 -7.505 1.00 53.05 H new ATOM 0 HD2 PRO A 39 0.180 1.961 -4.784 1.00 31.14 H new ATOM 0 HD3 PRO A 39 -0.777 3.124 -5.681 1.00 31.14 H new ATOM 571 N ALA A 40 -3.591 -1.533 -5.320 1.00 14.05 N ATOM 572 CA ALA A 40 -3.639 -2.936 -4.930 1.00 55.33 C ATOM 573 C ALA A 40 -2.842 -3.803 -5.899 1.00 62.12 C ATOM 574 O ALA A 40 -2.479 -4.934 -5.580 1.00 30.21 O ATOM 575 CB ALA A 40 -5.081 -3.413 -4.855 1.00 73.53 C ATOM 0 H ALA A 40 -4.505 -1.095 -5.432 1.00 14.05 H new ATOM 0 HA ALA A 40 -3.185 -3.029 -3.943 1.00 55.33 H new ATOM 0 HB1 ALA A 40 -5.102 -4.463 -4.563 1.00 73.53 H new ATOM 0 HB2 ALA A 40 -5.623 -2.820 -4.118 1.00 73.53 H new ATOM 0 HB3 ALA A 40 -5.553 -3.299 -5.831 1.00 73.53 H new ATOM 581 N ALA A 41 -2.574 -3.265 -7.084 1.00 32.10 N ATOM 582 CA ALA A 41 -1.819 -3.989 -8.100 1.00 64.10 C ATOM 583 C ALA A 41 -0.373 -4.199 -7.663 1.00 40.51 C ATOM 584 O ALA A 41 0.309 -5.100 -8.151 1.00 3.11 O ATOM 585 CB ALA A 41 -1.870 -3.246 -9.426 1.00 41.31 C ATOM 0 H ALA A 41 -2.869 -2.330 -7.365 1.00 32.10 H new ATOM 0 HA ALA A 41 -2.278 -4.969 -8.229 1.00 64.10 H new ATOM 0 HB1 ALA A 41 -1.302 -3.798 -10.175 1.00 41.31 H new ATOM 0 HB2 ALA A 41 -2.906 -3.154 -9.752 1.00 41.31 H new ATOM 0 HB3 ALA A 41 -1.438 -2.253 -9.303 1.00 41.31 H new ATOM 591 N TYR A 42 0.089 -3.359 -6.743 1.00 75.25 N ATOM 592 CA TYR A 42 1.456 -3.451 -6.243 1.00 51.33 C ATOM 593 C TYR A 42 1.517 -4.296 -4.974 1.00 31.21 C ATOM 594 O TYR A 42 2.597 -4.644 -4.498 1.00 22.11 O ATOM 595 CB TYR A 42 2.014 -2.054 -5.965 1.00 10.40 C ATOM 596 CG TYR A 42 2.370 -1.284 -7.217 1.00 73.11 C ATOM 597 CD1 TYR A 42 1.489 -1.218 -8.290 1.00 11.40 C ATOM 598 CD2 TYR A 42 3.589 -0.625 -7.328 1.00 71.12 C ATOM 599 CE1 TYR A 42 1.811 -0.517 -9.436 1.00 12.13 C ATOM 600 CE2 TYR A 42 3.918 0.079 -8.470 1.00 51.20 C ATOM 601 CZ TYR A 42 3.026 0.130 -9.521 1.00 41.45 C ATOM 602 OH TYR A 42 3.352 0.830 -10.660 1.00 5.15 O ATOM 0 H TYR A 42 -0.462 -2.607 -6.329 1.00 75.25 H new ATOM 0 HA TYR A 42 2.064 -3.933 -7.008 1.00 51.33 H new ATOM 0 HB2 TYR A 42 1.279 -1.485 -5.395 1.00 10.40 H new ATOM 0 HB3 TYR A 42 2.902 -2.144 -5.339 1.00 10.40 H new ATOM 0 HD1 TYR A 42 0.537 -1.723 -8.227 1.00 11.40 H new ATOM 0 HD2 TYR A 42 4.290 -0.664 -6.508 1.00 71.12 H new ATOM 0 HE1 TYR A 42 1.115 -0.476 -10.261 1.00 12.13 H new ATOM 0 HE2 TYR A 42 4.869 0.587 -8.540 1.00 51.20 H new ATOM 0 HH TYR A 42 4.242 1.227 -10.557 1.00 5.15 H new ATOM 611 N VAL A 43 0.348 -4.624 -4.433 1.00 63.24 N ATOM 612 CA VAL A 43 0.266 -5.430 -3.221 1.00 31.11 C ATOM 613 C VAL A 43 -0.646 -6.636 -3.423 1.00 52.34 C ATOM 614 O VAL A 43 -1.292 -6.772 -4.462 1.00 42.00 O ATOM 615 CB VAL A 43 -0.252 -4.603 -2.030 1.00 1.43 C ATOM 616 CG1 VAL A 43 0.808 -3.616 -1.564 1.00 64.33 C ATOM 617 CG2 VAL A 43 -1.537 -3.880 -2.403 1.00 22.20 C ATOM 0 H VAL A 43 -0.555 -4.344 -4.815 1.00 63.24 H new ATOM 0 HA VAL A 43 1.277 -5.775 -3.002 1.00 31.11 H new ATOM 0 HB VAL A 43 -0.470 -5.282 -1.206 1.00 1.43 H new ATOM 0 HG11 VAL A 43 0.424 -3.040 -0.722 1.00 64.33 H new ATOM 0 HG12 VAL A 43 1.701 -4.160 -1.255 1.00 64.33 H new ATOM 0 HG13 VAL A 43 1.060 -2.940 -2.381 1.00 64.33 H new ATOM 0 HG21 VAL A 43 -1.889 -3.300 -1.550 1.00 22.20 H new ATOM 0 HG22 VAL A 43 -1.348 -3.211 -3.243 1.00 22.20 H new ATOM 0 HG23 VAL A 43 -2.296 -4.610 -2.684 1.00 22.20 H new ATOM 627 N LYS A 44 -0.692 -7.510 -2.423 1.00 1.44 N ATOM 628 CA LYS A 44 -1.526 -8.704 -2.488 1.00 3.41 C ATOM 629 C LYS A 44 -1.643 -9.362 -1.117 1.00 40.31 C ATOM 630 O LYS A 44 -0.638 -9.622 -0.454 1.00 4.53 O ATOM 631 CB LYS A 44 -0.948 -9.700 -3.496 1.00 3.42 C ATOM 632 CG LYS A 44 -1.893 -10.838 -3.836 1.00 32.22 C ATOM 633 CD LYS A 44 -1.241 -11.845 -4.769 1.00 22.12 C ATOM 634 CE LYS A 44 0.085 -12.342 -4.214 1.00 43.21 C ATOM 635 NZ LYS A 44 0.264 -13.805 -4.430 1.00 43.52 N ATOM 0 H LYS A 44 -0.161 -7.413 -1.557 1.00 1.44 H new ATOM 0 HA LYS A 44 -2.522 -8.404 -2.813 1.00 3.41 H new ATOM 0 HB2 LYS A 44 -0.689 -9.168 -4.412 1.00 3.42 H new ATOM 0 HB3 LYS A 44 -0.023 -10.114 -3.095 1.00 3.42 H new ATOM 0 HG2 LYS A 44 -2.205 -11.339 -2.920 1.00 32.22 H new ATOM 0 HG3 LYS A 44 -2.793 -10.438 -4.303 1.00 32.22 H new ATOM 0 HD2 LYS A 44 -1.913 -12.690 -4.921 1.00 22.12 H new ATOM 0 HD3 LYS A 44 -1.079 -11.387 -5.745 1.00 22.12 H new ATOM 0 HE2 LYS A 44 0.903 -11.802 -4.690 1.00 43.21 H new ATOM 0 HE3 LYS A 44 0.137 -12.123 -3.147 1.00 43.21 H new ATOM 0 HZ1 LYS A 44 1.179 -14.104 -4.038 1.00 43.52 H new ATOM 0 HZ2 LYS A 44 -0.502 -14.322 -3.954 1.00 43.52 H new ATOM 0 HZ3 LYS A 44 0.240 -14.011 -5.449 1.00 43.52 H new ATOM 645 N LYS A 45 -2.874 -9.629 -0.697 1.00 33.33 N ATOM 646 CA LYS A 45 -3.123 -10.260 0.594 1.00 3.53 C ATOM 647 C LYS A 45 -2.349 -11.568 0.718 1.00 74.52 C ATOM 648 O LYS A 45 -2.286 -12.356 -0.226 1.00 63.55 O ATOM 649 CB LYS A 45 -4.620 -10.521 0.777 1.00 62.30 C ATOM 650 CG LYS A 45 -5.272 -9.621 1.812 1.00 54.34 C ATOM 651 CD LYS A 45 -6.537 -10.245 2.376 1.00 62.42 C ATOM 652 CE LYS A 45 -7.784 -9.644 1.747 1.00 53.30 C ATOM 653 NZ LYS A 45 -8.207 -10.392 0.531 1.00 24.42 N ATOM 0 H LYS A 45 -3.716 -9.418 -1.232 1.00 33.33 H new ATOM 0 HA LYS A 45 -2.781 -9.581 1.375 1.00 3.53 H new ATOM 0 HB2 LYS A 45 -5.124 -10.384 -0.180 1.00 62.30 H new ATOM 0 HB3 LYS A 45 -4.766 -11.561 1.069 1.00 62.30 H new ATOM 0 HG2 LYS A 45 -4.569 -9.427 2.622 1.00 54.34 H new ATOM 0 HG3 LYS A 45 -5.510 -8.658 1.360 1.00 54.34 H new ATOM 0 HD2 LYS A 45 -6.522 -11.321 2.201 1.00 62.42 H new ATOM 0 HD3 LYS A 45 -6.566 -10.098 3.456 1.00 62.42 H new ATOM 0 HE2 LYS A 45 -8.595 -9.646 2.475 1.00 53.30 H new ATOM 0 HE3 LYS A 45 -7.593 -8.603 1.485 1.00 53.30 H new ATOM 0 HZ1 LYS A 45 -9.060 -9.951 0.132 1.00 24.42 H new ATOM 0 HZ2 LYS A 45 -7.443 -10.369 -0.174 1.00 24.42 H new ATOM 0 HZ3 LYS A 45 -8.414 -11.379 0.785 1.00 24.42 H new ATOM 663 N LEU A 46 -1.763 -11.794 1.889 1.00 72.14 N ATOM 664 CA LEU A 46 -0.994 -13.009 2.138 1.00 13.14 C ATOM 665 C LEU A 46 -1.795 -13.998 2.979 1.00 45.33 C ATOM 666 O LEU A 46 -2.935 -13.725 3.358 1.00 74.12 O ATOM 667 CB LEU A 46 0.319 -12.669 2.843 1.00 54.33 C ATOM 668 CG LEU A 46 1.218 -11.653 2.136 1.00 60.12 C ATOM 669 CD1 LEU A 46 2.106 -10.935 3.140 1.00 61.12 C ATOM 670 CD2 LEU A 46 2.061 -12.339 1.070 1.00 53.20 C ATOM 0 H LEU A 46 -1.806 -11.152 2.681 1.00 72.14 H new ATOM 0 HA LEU A 46 -0.774 -13.473 1.177 1.00 13.14 H new ATOM 0 HB2 LEU A 46 0.086 -12.288 3.837 1.00 54.33 H new ATOM 0 HB3 LEU A 46 0.884 -13.591 2.979 1.00 54.33 H new ATOM 0 HG LEU A 46 0.584 -10.912 1.649 1.00 60.12 H new ATOM 0 HD11 LEU A 46 2.738 -10.217 2.618 1.00 61.12 H new ATOM 0 HD12 LEU A 46 1.484 -10.411 3.866 1.00 61.12 H new ATOM 0 HD13 LEU A 46 2.733 -11.662 3.656 1.00 61.12 H new ATOM 0 HD21 LEU A 46 2.695 -11.602 0.577 1.00 53.20 H new ATOM 0 HD22 LEU A 46 2.686 -13.101 1.535 1.00 53.20 H new ATOM 0 HD23 LEU A 46 1.407 -12.806 0.334 1.00 53.20 H new ATOM 681 N ASP A 47 -1.191 -15.144 3.270 1.00 13.13 N ATOM 682 CA ASP A 47 -1.846 -16.172 4.070 1.00 21.42 C ATOM 683 C ASP A 47 -1.008 -16.524 5.294 1.00 71.42 C ATOM 684 O ASP A 47 0.111 -17.023 5.171 1.00 2.02 O ATOM 685 CB ASP A 47 -2.092 -17.425 3.226 1.00 51.53 C ATOM 686 CG ASP A 47 -3.458 -17.421 2.569 1.00 35.51 C ATOM 687 OD1 ASP A 47 -4.467 -17.533 3.295 1.00 42.52 O ATOM 688 OD2 ASP A 47 -3.518 -17.308 1.326 1.00 42.04 O ATOM 0 H ASP A 47 -0.248 -15.385 2.964 1.00 13.13 H new ATOM 0 HA ASP A 47 -2.804 -15.778 4.410 1.00 21.42 H new ATOM 0 HB2 ASP A 47 -1.323 -17.499 2.457 1.00 51.53 H new ATOM 0 HB3 ASP A 47 -1.998 -18.309 3.857 1.00 51.53 H new ATOM 692 N SER A 48 -1.557 -16.262 6.476 1.00 13.13 N ATOM 693 CA SER A 48 -0.858 -16.546 7.724 1.00 33.35 C ATOM 694 C SER A 48 -1.588 -17.622 8.522 1.00 72.44 C ATOM 695 O SER A 48 -1.063 -18.712 8.742 1.00 74.41 O ATOM 696 CB SER A 48 -0.727 -15.273 8.561 1.00 73.44 C ATOM 697 OG SER A 48 0.001 -15.519 9.753 1.00 23.13 O ATOM 0 H SER A 48 -2.484 -15.853 6.596 1.00 13.13 H new ATOM 0 HA SER A 48 0.138 -16.914 7.479 1.00 33.35 H new ATOM 0 HB2 SER A 48 -0.226 -14.500 7.978 1.00 73.44 H new ATOM 0 HB3 SER A 48 -1.718 -14.893 8.808 1.00 73.44 H new ATOM 0 HG SER A 48 0.072 -14.689 10.270 1.00 23.13 H new ATOM 702 N GLY A 49 -2.804 -17.305 8.955 1.00 23.11 N ATOM 703 CA GLY A 49 -3.588 -18.253 9.725 1.00 40.12 C ATOM 704 C GLY A 49 -4.279 -17.608 10.910 1.00 4.13 C ATOM 705 O GLY A 49 -5.467 -17.833 11.144 1.00 4.54 O ATOM 0 H GLY A 49 -3.260 -16.409 8.786 1.00 23.11 H new ATOM 0 HA2 GLY A 49 -4.336 -18.711 9.078 1.00 40.12 H new ATOM 0 HA3 GLY A 49 -2.939 -19.054 10.079 1.00 40.12 H new ATOM 709 N THR A 50 -3.535 -16.803 11.661 1.00 54.24 N ATOM 710 CA THR A 50 -4.082 -16.125 12.830 1.00 74.33 C ATOM 711 C THR A 50 -5.347 -15.352 12.475 1.00 15.24 C ATOM 712 O THR A 50 -6.335 -15.392 13.204 1.00 64.50 O ATOM 713 CB THR A 50 -3.057 -15.155 13.448 1.00 55.30 C ATOM 714 OG1 THR A 50 -2.723 -14.129 12.506 1.00 33.31 O ATOM 715 CG2 THR A 50 -1.796 -15.895 13.867 1.00 33.40 C ATOM 0 H THR A 50 -2.551 -16.604 11.481 1.00 54.24 H new ATOM 0 HA THR A 50 -4.324 -16.898 13.559 1.00 74.33 H new ATOM 0 HB THR A 50 -3.505 -14.703 14.333 1.00 55.30 H new ATOM 0 HG1 THR A 50 -1.760 -13.951 12.544 1.00 33.31 H new ATOM 0 HG21 THR A 50 -1.087 -15.189 14.300 1.00 33.40 H new ATOM 0 HG22 THR A 50 -2.049 -16.655 14.606 1.00 33.40 H new ATOM 0 HG23 THR A 50 -1.347 -16.371 12.995 1.00 33.40 H new ATOM 723 N GLY A 51 -5.306 -14.648 11.348 1.00 4.23 N ATOM 724 CA GLY A 51 -6.457 -13.874 10.915 1.00 60.35 C ATOM 725 C GLY A 51 -6.166 -12.389 10.854 1.00 3.34 C ATOM 726 O GLY A 51 -7.084 -11.567 10.861 1.00 73.23 O ATOM 0 H GLY A 51 -4.498 -14.599 10.727 1.00 4.23 H new ATOM 0 HA2 GLY A 51 -6.774 -14.220 9.931 1.00 60.35 H new ATOM 0 HA3 GLY A 51 -7.288 -14.051 11.598 1.00 60.35 H new ATOM 730 N LYS A 52 -4.886 -12.039 10.793 1.00 60.34 N ATOM 731 CA LYS A 52 -4.475 -10.641 10.730 1.00 65.35 C ATOM 732 C LYS A 52 -4.746 -10.056 9.348 1.00 73.43 C ATOM 733 O LYS A 52 -5.172 -10.766 8.437 1.00 51.14 O ATOM 734 CB LYS A 52 -2.989 -10.510 11.071 1.00 12.45 C ATOM 735 CG LYS A 52 -2.655 -10.899 12.500 1.00 70.23 C ATOM 736 CD LYS A 52 -1.824 -9.829 13.190 1.00 21.54 C ATOM 737 CE LYS A 52 -2.653 -9.039 14.190 1.00 74.12 C ATOM 738 NZ LYS A 52 -2.477 -9.546 15.579 1.00 43.20 N ATOM 0 H LYS A 52 -4.114 -12.705 10.786 1.00 60.34 H new ATOM 0 HA LYS A 52 -5.059 -10.082 11.461 1.00 65.35 H new ATOM 0 HB2 LYS A 52 -2.412 -11.135 10.389 1.00 12.45 H new ATOM 0 HB3 LYS A 52 -2.676 -9.480 10.901 1.00 12.45 H new ATOM 0 HG2 LYS A 52 -3.577 -11.062 13.059 1.00 70.23 H new ATOM 0 HG3 LYS A 52 -2.110 -11.843 12.503 1.00 70.23 H new ATOM 0 HD2 LYS A 52 -0.981 -10.295 13.701 1.00 21.54 H new ATOM 0 HD3 LYS A 52 -1.409 -9.151 12.444 1.00 21.54 H new ATOM 0 HE2 LYS A 52 -2.368 -7.988 14.148 1.00 74.12 H new ATOM 0 HE3 LYS A 52 -3.706 -9.095 13.914 1.00 74.12 H new ATOM 0 HZ1 LYS A 52 -3.058 -8.982 16.231 1.00 43.20 H new ATOM 0 HZ2 LYS A 52 -2.773 -10.542 15.625 1.00 43.20 H new ATOM 0 HZ3 LYS A 52 -1.477 -9.469 15.852 1.00 43.20 H new ATOM 748 N GLU A 53 -4.494 -8.760 9.199 1.00 53.24 N ATOM 749 CA GLU A 53 -4.710 -8.082 7.927 1.00 53.01 C ATOM 750 C GLU A 53 -3.399 -7.525 7.377 1.00 22.11 C ATOM 751 O GLU A 53 -3.045 -6.374 7.634 1.00 12.41 O ATOM 752 CB GLU A 53 -5.727 -6.951 8.092 1.00 62.13 C ATOM 753 CG GLU A 53 -6.833 -7.269 9.084 1.00 3.34 C ATOM 754 CD GLU A 53 -6.350 -7.254 10.522 1.00 33.40 C ATOM 755 OE1 GLU A 53 -5.453 -6.446 10.837 1.00 1.02 O ATOM 756 OE2 GLU A 53 -6.868 -8.053 11.330 1.00 22.24 O ATOM 0 H GLU A 53 -4.140 -8.159 9.943 1.00 53.24 H new ATOM 0 HA GLU A 53 -5.101 -8.812 7.218 1.00 53.01 H new ATOM 0 HB2 GLU A 53 -5.207 -6.050 8.417 1.00 62.13 H new ATOM 0 HB3 GLU A 53 -6.173 -6.730 7.122 1.00 62.13 H new ATOM 0 HG2 GLU A 53 -7.639 -6.545 8.968 1.00 3.34 H new ATOM 0 HG3 GLU A 53 -7.250 -8.250 8.855 1.00 3.34 H new ATOM 761 N LEU A 54 -2.684 -8.350 6.620 1.00 1.21 N ATOM 762 CA LEU A 54 -1.412 -7.942 6.034 1.00 4.11 C ATOM 763 C LEU A 54 -1.437 -8.099 4.517 1.00 1.51 C ATOM 764 O LEU A 54 -2.243 -8.853 3.973 1.00 75.31 O ATOM 765 CB LEU A 54 -0.268 -8.766 6.625 1.00 72.32 C ATOM 766 CG LEU A 54 -0.597 -10.220 6.970 1.00 52.41 C ATOM 767 CD1 LEU A 54 -0.980 -10.993 5.717 1.00 44.31 C ATOM 768 CD2 LEU A 54 0.583 -10.882 7.666 1.00 62.22 C ATOM 0 H LEU A 54 -2.963 -9.305 6.398 1.00 1.21 H new ATOM 0 HA LEU A 54 -1.252 -6.890 6.269 1.00 4.11 H new ATOM 0 HB2 LEU A 54 0.561 -8.760 5.917 1.00 72.32 H new ATOM 0 HB3 LEU A 54 0.082 -8.269 7.530 1.00 72.32 H new ATOM 0 HG LEU A 54 -1.448 -10.228 7.651 1.00 52.41 H new ATOM 0 HD11 LEU A 54 -1.210 -12.025 5.982 1.00 44.31 H new ATOM 0 HD12 LEU A 54 -1.855 -10.532 5.258 1.00 44.31 H new ATOM 0 HD13 LEU A 54 -0.149 -10.977 5.011 1.00 44.31 H new ATOM 0 HD21 LEU A 54 0.332 -11.916 7.904 1.00 62.22 H new ATOM 0 HD22 LEU A 54 1.452 -10.862 7.008 1.00 62.22 H new ATOM 0 HD23 LEU A 54 0.812 -10.343 8.585 1.00 62.22 H new ATOM 779 N VAL A 55 -0.546 -7.381 3.839 1.00 5.51 N ATOM 780 CA VAL A 55 -0.463 -7.442 2.384 1.00 24.11 C ATOM 781 C VAL A 55 0.966 -7.214 1.906 1.00 21.50 C ATOM 782 O VAL A 55 1.543 -6.148 2.124 1.00 13.34 O ATOM 783 CB VAL A 55 -1.386 -6.400 1.725 1.00 23.34 C ATOM 784 CG1 VAL A 55 -2.767 -6.990 1.476 1.00 74.10 C ATOM 785 CG2 VAL A 55 -1.480 -5.150 2.587 1.00 72.13 C ATOM 0 H VAL A 55 0.128 -6.751 4.274 1.00 5.51 H new ATOM 0 HA VAL A 55 -0.787 -8.440 2.090 1.00 24.11 H new ATOM 0 HB VAL A 55 -0.958 -6.119 0.763 1.00 23.34 H new ATOM 0 HG11 VAL A 55 -3.405 -6.239 1.010 1.00 74.10 H new ATOM 0 HG12 VAL A 55 -2.680 -7.853 0.816 1.00 74.10 H new ATOM 0 HG13 VAL A 55 -3.206 -7.301 2.424 1.00 74.10 H new ATOM 0 HG21 VAL A 55 -2.136 -4.425 2.106 1.00 72.13 H new ATOM 0 HG22 VAL A 55 -1.884 -5.412 3.565 1.00 72.13 H new ATOM 0 HG23 VAL A 55 -0.487 -4.716 2.709 1.00 72.13 H new ATOM 795 N LEU A 56 1.532 -8.221 1.251 1.00 33.20 N ATOM 796 CA LEU A 56 2.895 -8.132 0.739 1.00 54.34 C ATOM 797 C LEU A 56 2.968 -7.181 -0.452 1.00 72.53 C ATOM 798 O LEU A 56 2.016 -7.061 -1.221 1.00 51.21 O ATOM 799 CB LEU A 56 3.401 -9.517 0.334 1.00 31.34 C ATOM 800 CG LEU A 56 4.871 -9.601 -0.079 1.00 3.23 C ATOM 801 CD1 LEU A 56 5.090 -8.917 -1.419 1.00 42.32 C ATOM 802 CD2 LEU A 56 5.761 -8.982 0.990 1.00 60.31 C ATOM 0 H LEU A 56 1.068 -9.109 1.062 1.00 33.20 H new ATOM 0 HA LEU A 56 3.530 -7.739 1.533 1.00 54.34 H new ATOM 0 HB2 LEU A 56 3.239 -10.199 1.169 1.00 31.34 H new ATOM 0 HB3 LEU A 56 2.791 -9.877 -0.494 1.00 31.34 H new ATOM 0 HG LEU A 56 5.139 -10.652 -0.184 1.00 3.23 H new ATOM 0 HD11 LEU A 56 6.142 -8.987 -1.696 1.00 42.32 H new ATOM 0 HD12 LEU A 56 4.481 -9.405 -2.180 1.00 42.32 H new ATOM 0 HD13 LEU A 56 4.804 -7.868 -1.343 1.00 42.32 H new ATOM 0 HD21 LEU A 56 6.804 -9.050 0.680 1.00 60.31 H new ATOM 0 HD22 LEU A 56 5.491 -7.935 1.127 1.00 60.31 H new ATOM 0 HD23 LEU A 56 5.626 -9.517 1.930 1.00 60.31 H new ATOM 813 N ALA A 57 4.106 -6.510 -0.598 1.00 72.52 N ATOM 814 CA ALA A 57 4.306 -5.575 -1.698 1.00 44.33 C ATOM 815 C ALA A 57 4.979 -6.257 -2.884 1.00 2.22 C ATOM 816 O ALA A 57 6.189 -6.484 -2.878 1.00 54.54 O ATOM 817 CB ALA A 57 5.131 -4.384 -1.234 1.00 41.33 C ATOM 0 H ALA A 57 4.903 -6.597 0.032 1.00 72.52 H new ATOM 0 HA ALA A 57 3.328 -5.221 -2.024 1.00 44.33 H new ATOM 0 HB1 ALA A 57 5.273 -3.694 -2.065 1.00 41.33 H new ATOM 0 HB2 ALA A 57 4.610 -3.874 -0.424 1.00 41.33 H new ATOM 0 HB3 ALA A 57 6.102 -4.730 -0.880 1.00 41.33 H new ATOM 823 N LEU A 58 4.188 -6.582 -3.899 1.00 25.53 N ATOM 824 CA LEU A 58 4.706 -7.240 -5.094 1.00 51.11 C ATOM 825 C LEU A 58 5.625 -6.305 -5.874 1.00 61.21 C ATOM 826 O LEU A 58 6.652 -6.729 -6.407 1.00 43.42 O ATOM 827 CB LEU A 58 3.554 -7.703 -5.987 1.00 63.34 C ATOM 828 CG LEU A 58 2.389 -8.391 -5.276 1.00 64.12 C ATOM 829 CD1 LEU A 58 1.174 -8.465 -6.188 1.00 34.14 C ATOM 830 CD2 LEU A 58 2.793 -9.782 -4.810 1.00 12.05 C ATOM 0 H LEU A 58 3.184 -6.401 -3.919 1.00 25.53 H new ATOM 0 HA LEU A 58 5.284 -8.109 -4.779 1.00 51.11 H new ATOM 0 HB2 LEU A 58 3.166 -6.837 -6.523 1.00 63.34 H new ATOM 0 HB3 LEU A 58 3.953 -8.388 -6.735 1.00 63.34 H new ATOM 0 HG LEU A 58 2.125 -7.799 -4.400 1.00 64.12 H new ATOM 0 HD11 LEU A 58 0.355 -8.958 -5.664 1.00 34.14 H new ATOM 0 HD12 LEU A 58 0.869 -7.457 -6.471 1.00 34.14 H new ATOM 0 HD13 LEU A 58 1.426 -9.033 -7.084 1.00 34.14 H new ATOM 0 HD21 LEU A 58 1.951 -10.256 -4.306 1.00 12.05 H new ATOM 0 HD22 LEU A 58 3.086 -10.383 -5.671 1.00 12.05 H new ATOM 0 HD23 LEU A 58 3.632 -9.705 -4.119 1.00 12.05 H new ATOM 841 N TYR A 59 5.251 -5.033 -5.936 1.00 52.41 N ATOM 842 CA TYR A 59 6.041 -4.038 -6.650 1.00 12.45 C ATOM 843 C TYR A 59 6.416 -2.877 -5.733 1.00 51.11 C ATOM 844 O TYR A 59 5.945 -2.792 -4.599 1.00 55.32 O ATOM 845 CB TYR A 59 5.268 -3.514 -7.862 1.00 64.34 C ATOM 846 CG TYR A 59 4.459 -4.580 -8.569 1.00 10.53 C ATOM 847 CD1 TYR A 59 4.977 -5.852 -8.772 1.00 64.25 C ATOM 848 CD2 TYR A 59 3.178 -4.312 -9.035 1.00 2.51 C ATOM 849 CE1 TYR A 59 4.242 -6.828 -9.417 1.00 21.00 C ATOM 850 CE2 TYR A 59 2.436 -5.281 -9.680 1.00 33.25 C ATOM 851 CZ TYR A 59 2.972 -6.537 -9.870 1.00 62.12 C ATOM 852 OH TYR A 59 2.237 -7.506 -10.513 1.00 24.15 O ATOM 0 H TYR A 59 4.405 -4.666 -5.500 1.00 52.41 H new ATOM 0 HA TYR A 59 6.958 -4.519 -6.991 1.00 12.45 H new ATOM 0 HB2 TYR A 59 4.599 -2.716 -7.539 1.00 64.34 H new ATOM 0 HB3 TYR A 59 5.971 -3.074 -8.569 1.00 64.34 H new ATOM 0 HD1 TYR A 59 5.972 -6.083 -8.420 1.00 64.25 H new ATOM 0 HD2 TYR A 59 2.755 -3.329 -8.890 1.00 2.51 H new ATOM 0 HE1 TYR A 59 4.659 -7.813 -9.566 1.00 21.00 H new ATOM 0 HE2 TYR A 59 1.441 -5.056 -10.034 1.00 33.25 H new ATOM 0 HH TYR A 59 1.364 -7.140 -10.767 1.00 24.15 H new ATOM 861 N ASP A 60 7.265 -1.987 -6.233 1.00 12.31 N ATOM 862 CA ASP A 60 7.703 -0.830 -5.461 1.00 1.33 C ATOM 863 C ASP A 60 6.814 0.378 -5.741 1.00 64.01 C ATOM 864 O ASP A 60 6.472 0.657 -6.890 1.00 4.42 O ATOM 865 CB ASP A 60 9.159 -0.493 -5.787 1.00 61.35 C ATOM 866 CG ASP A 60 9.442 -0.525 -7.276 1.00 25.25 C ATOM 867 OD1 ASP A 60 9.480 -1.634 -7.849 1.00 42.22 O ATOM 868 OD2 ASP A 60 9.622 0.559 -7.868 1.00 15.20 O ATOM 0 H ASP A 60 7.664 -2.044 -7.170 1.00 12.31 H new ATOM 0 HA ASP A 60 7.624 -1.080 -4.403 1.00 1.33 H new ATOM 0 HB2 ASP A 60 9.396 0.497 -5.396 1.00 61.35 H new ATOM 0 HB3 ASP A 60 9.815 -1.201 -5.280 1.00 61.35 H new ATOM 872 N TYR A 61 6.442 1.090 -4.683 1.00 54.41 N ATOM 873 CA TYR A 61 5.590 2.266 -4.813 1.00 33.24 C ATOM 874 C TYR A 61 6.087 3.402 -3.925 1.00 53.25 C ATOM 875 O TYR A 61 6.914 3.192 -3.037 1.00 63.23 O ATOM 876 CB TYR A 61 4.145 1.917 -4.454 1.00 23.11 C ATOM 877 CG TYR A 61 3.175 3.057 -4.670 1.00 64.52 C ATOM 878 CD1 TYR A 61 3.065 4.087 -3.744 1.00 54.15 C ATOM 879 CD2 TYR A 61 2.368 3.104 -5.800 1.00 64.31 C ATOM 880 CE1 TYR A 61 2.181 5.129 -3.937 1.00 45.33 C ATOM 881 CE2 TYR A 61 1.481 4.143 -6.001 1.00 25.02 C ATOM 882 CZ TYR A 61 1.390 5.153 -5.066 1.00 1.24 C ATOM 883 OH TYR A 61 0.508 6.191 -5.263 1.00 53.10 O ATOM 0 H TYR A 61 6.717 0.873 -3.725 1.00 54.41 H new ATOM 0 HA TYR A 61 5.630 2.598 -5.850 1.00 33.24 H new ATOM 0 HB2 TYR A 61 3.827 1.063 -5.052 1.00 23.11 H new ATOM 0 HB3 TYR A 61 4.103 1.609 -3.409 1.00 23.11 H new ATOM 0 HD1 TYR A 61 3.682 4.072 -2.858 1.00 54.15 H new ATOM 0 HD2 TYR A 61 2.436 2.314 -6.534 1.00 64.31 H new ATOM 0 HE1 TYR A 61 2.109 5.922 -3.207 1.00 45.33 H new ATOM 0 HE2 TYR A 61 0.862 4.165 -6.886 1.00 25.02 H new ATOM 0 HH TYR A 61 -0.216 5.898 -5.855 1.00 53.10 H new ATOM 892 N GLN A 62 5.577 4.604 -4.171 1.00 70.15 N ATOM 893 CA GLN A 62 5.969 5.773 -3.393 1.00 51.12 C ATOM 894 C GLN A 62 4.802 6.744 -3.242 1.00 32.44 C ATOM 895 O GLN A 62 4.260 7.234 -4.232 1.00 11.44 O ATOM 896 CB GLN A 62 7.153 6.480 -4.056 1.00 51.12 C ATOM 897 CG GLN A 62 7.292 7.940 -3.656 1.00 61.11 C ATOM 898 CD GLN A 62 7.715 8.111 -2.210 1.00 61.00 C ATOM 899 OE1 GLN A 62 8.905 8.194 -1.905 1.00 2.43 O ATOM 900 NE2 GLN A 62 6.739 8.165 -1.310 1.00 14.11 N ATOM 0 H GLN A 62 4.892 4.794 -4.902 1.00 70.15 H new ATOM 0 HA GLN A 62 6.266 5.434 -2.401 1.00 51.12 H new ATOM 0 HB2 GLN A 62 8.071 5.952 -3.798 1.00 51.12 H new ATOM 0 HB3 GLN A 62 7.043 6.418 -5.139 1.00 51.12 H new ATOM 0 HG2 GLN A 62 8.024 8.422 -4.304 1.00 61.11 H new ATOM 0 HG3 GLN A 62 6.341 8.449 -3.815 1.00 61.11 H new ATOM 0 HE21 GLN A 62 5.766 8.092 -1.608 1.00 14.11 H new ATOM 0 HE22 GLN A 62 6.963 8.279 -0.321 1.00 14.11 H new ATOM 907 N GLU A 63 4.421 7.015 -1.998 1.00 25.54 N ATOM 908 CA GLU A 63 3.317 7.925 -1.719 1.00 11.13 C ATOM 909 C GLU A 63 3.788 9.112 -0.884 1.00 53.31 C ATOM 910 O GLU A 63 4.466 8.942 0.129 1.00 42.31 O ATOM 911 CB GLU A 63 2.191 7.190 -0.991 1.00 62.13 C ATOM 912 CG GLU A 63 0.800 7.622 -1.424 1.00 43.03 C ATOM 913 CD GLU A 63 0.739 9.087 -1.809 1.00 2.23 C ATOM 914 OE1 GLU A 63 0.500 9.926 -0.916 1.00 43.43 O ATOM 915 OE2 GLU A 63 0.929 9.394 -3.005 1.00 41.31 O ATOM 0 H GLU A 63 4.860 6.617 -1.168 1.00 25.54 H new ATOM 0 HA GLU A 63 2.940 8.299 -2.671 1.00 11.13 H new ATOM 0 HB2 GLU A 63 2.299 6.119 -1.161 1.00 62.13 H new ATOM 0 HB3 GLU A 63 2.296 7.354 0.081 1.00 62.13 H new ATOM 0 HG2 GLU A 63 0.482 7.014 -2.271 1.00 43.03 H new ATOM 0 HG3 GLU A 63 0.096 7.433 -0.613 1.00 43.03 H new ATOM 920 N SER A 64 3.424 10.315 -1.318 1.00 53.42 N ATOM 921 CA SER A 64 3.814 11.531 -0.614 1.00 64.04 C ATOM 922 C SER A 64 2.601 12.198 0.029 1.00 2.31 C ATOM 923 O SER A 64 1.869 12.941 -0.624 1.00 24.02 O ATOM 924 CB SER A 64 4.497 12.506 -1.574 1.00 23.02 C ATOM 925 OG SER A 64 5.890 12.260 -1.646 1.00 52.53 O ATOM 0 H SER A 64 2.860 10.473 -2.153 1.00 53.42 H new ATOM 0 HA SER A 64 4.517 11.256 0.173 1.00 64.04 H new ATOM 0 HB2 SER A 64 4.056 12.412 -2.567 1.00 23.02 H new ATOM 0 HB3 SER A 64 4.322 13.530 -1.243 1.00 23.02 H new ATOM 0 HG SER A 64 6.303 12.895 -2.267 1.00 52.53 H new ATOM 930 N GLY A 65 2.396 11.927 1.314 1.00 1.20 N ATOM 931 CA GLY A 65 1.271 12.508 2.025 1.00 20.23 C ATOM 932 C GLY A 65 -0.032 11.793 1.731 1.00 73.54 C ATOM 933 O GLY A 65 -0.518 11.811 0.600 1.00 1.11 O ATOM 0 H GLY A 65 2.988 11.316 1.876 1.00 1.20 H new ATOM 0 HA2 GLY A 65 1.466 12.475 3.097 1.00 20.23 H new ATOM 0 HA3 GLY A 65 1.175 13.559 1.751 1.00 20.23 H new ATOM 937 N ASP A 66 -0.599 11.157 2.751 1.00 72.11 N ATOM 938 CA ASP A 66 -1.854 10.431 2.597 1.00 23.53 C ATOM 939 C ASP A 66 -2.785 11.154 1.629 1.00 65.42 C ATOM 940 O ASP A 66 -3.386 12.171 1.974 1.00 1.03 O ATOM 941 CB ASP A 66 -2.540 10.262 3.953 1.00 61.25 C ATOM 942 CG ASP A 66 -4.039 10.074 3.826 1.00 1.24 C ATOM 943 OD1 ASP A 66 -4.465 9.268 2.972 1.00 64.02 O ATOM 944 OD2 ASP A 66 -4.786 10.733 4.579 1.00 72.15 O ATOM 0 H ASP A 66 -0.209 11.130 3.693 1.00 72.11 H new ATOM 0 HA ASP A 66 -1.627 9.446 2.188 1.00 23.53 H new ATOM 0 HB2 ASP A 66 -2.112 9.402 4.469 1.00 61.25 H new ATOM 0 HB3 ASP A 66 -2.338 11.137 4.570 1.00 61.25 H new ATOM 948 N ASN A 67 -2.899 10.622 0.417 1.00 4.14 N ATOM 949 CA ASN A 67 -3.757 11.218 -0.602 1.00 74.34 C ATOM 950 C ASN A 67 -4.790 10.212 -1.100 1.00 45.13 C ATOM 951 O ASN A 67 -4.498 9.025 -1.241 1.00 42.14 O ATOM 952 CB ASN A 67 -2.914 11.723 -1.774 1.00 4.54 C ATOM 953 CG ASN A 67 -1.997 12.864 -1.377 1.00 13.41 C ATOM 954 OD1 ASN A 67 -0.812 12.868 -1.712 1.00 41.43 O ATOM 955 ND2 ASN A 67 -2.543 13.840 -0.660 1.00 15.24 N ATOM 0 H ASN A 67 -2.409 9.780 0.116 1.00 4.14 H new ATOM 0 HA ASN A 67 -4.284 12.059 -0.152 1.00 74.34 H new ATOM 0 HB2 ASN A 67 -2.317 10.901 -2.169 1.00 4.54 H new ATOM 0 HB3 ASN A 67 -3.573 12.053 -2.577 1.00 4.54 H new ATOM 0 HD21 ASN A 67 -1.976 14.634 -0.364 1.00 15.24 H new ATOM 0 HD22 ASN A 67 -3.530 13.795 -0.405 1.00 15.24 H new ATOM 961 N ALA A 68 -5.998 10.696 -1.367 1.00 62.33 N ATOM 962 CA ALA A 68 -7.074 9.841 -1.851 1.00 33.40 C ATOM 963 C ALA A 68 -6.870 9.481 -3.319 1.00 74.31 C ATOM 964 O ALA A 68 -6.423 10.295 -4.126 1.00 11.43 O ATOM 965 CB ALA A 68 -8.421 10.522 -1.656 1.00 51.52 C ATOM 0 H ALA A 68 -6.256 11.677 -1.256 1.00 62.33 H new ATOM 0 HA ALA A 68 -7.059 8.918 -1.271 1.00 33.40 H new ATOM 0 HB1 ALA A 68 -9.214 9.871 -2.022 1.00 51.52 H new ATOM 0 HB2 ALA A 68 -8.577 10.723 -0.596 1.00 51.52 H new ATOM 0 HB3 ALA A 68 -8.438 11.461 -2.210 1.00 51.52 H new ATOM 971 N PRO A 69 -7.205 8.231 -3.676 1.00 51.34 N ATOM 972 CA PRO A 69 -7.067 7.736 -5.048 1.00 20.41 C ATOM 973 C PRO A 69 -8.067 8.380 -6.001 1.00 45.22 C ATOM 974 O PRO A 69 -9.096 7.790 -6.328 1.00 24.11 O ATOM 975 CB PRO A 69 -7.346 6.237 -4.913 1.00 11.12 C ATOM 976 CG PRO A 69 -8.198 6.117 -3.697 1.00 1.32 C ATOM 977 CD PRO A 69 -7.745 7.207 -2.766 1.00 43.23 C ATOM 0 HA PRO A 69 -6.088 7.966 -5.467 1.00 20.41 H new ATOM 0 HB2 PRO A 69 -7.857 5.849 -5.794 1.00 11.12 H new ATOM 0 HB3 PRO A 69 -6.421 5.670 -4.806 1.00 11.12 H new ATOM 0 HG2 PRO A 69 -9.253 6.230 -3.947 1.00 1.32 H new ATOM 0 HG3 PRO A 69 -8.083 5.136 -3.235 1.00 1.32 H new ATOM 0 HD2 PRO A 69 -8.571 7.595 -2.170 1.00 43.23 H new ATOM 0 HD3 PRO A 69 -6.988 6.850 -2.068 1.00 43.23 H new ATOM 982 N SER A 70 -7.758 9.595 -6.443 1.00 5.31 N ATOM 983 CA SER A 70 -8.633 10.322 -7.356 1.00 12.20 C ATOM 984 C SER A 70 -8.334 9.950 -8.805 1.00 3.42 C ATOM 985 O SER A 70 -9.029 10.382 -9.725 1.00 22.02 O ATOM 986 CB SER A 70 -8.471 11.830 -7.160 1.00 52.30 C ATOM 987 OG SER A 70 -9.319 12.304 -6.129 1.00 1.54 O ATOM 0 H SER A 70 -6.909 10.097 -6.184 1.00 5.31 H new ATOM 0 HA SER A 70 -9.663 10.044 -7.132 1.00 12.20 H new ATOM 0 HB2 SER A 70 -7.434 12.059 -6.916 1.00 52.30 H new ATOM 0 HB3 SER A 70 -8.701 12.348 -8.091 1.00 52.30 H new ATOM 0 HG SER A 70 -9.195 13.270 -6.022 1.00 1.54 H new ATOM 992 N TYR A 71 -7.295 9.147 -9.001 1.00 12.41 N ATOM 993 CA TYR A 71 -6.900 8.719 -10.338 1.00 64.12 C ATOM 994 C TYR A 71 -6.654 7.214 -10.378 1.00 43.21 C ATOM 995 O TYR A 71 -6.649 6.547 -9.343 1.00 24.33 O ATOM 996 CB TYR A 71 -5.641 9.464 -10.785 1.00 5.54 C ATOM 997 CG TYR A 71 -4.574 9.546 -9.717 1.00 64.33 C ATOM 998 CD1 TYR A 71 -4.140 8.404 -9.053 1.00 3.32 C ATOM 999 CD2 TYR A 71 -4.001 10.762 -9.370 1.00 4.25 C ATOM 1000 CE1 TYR A 71 -3.167 8.474 -8.075 1.00 34.03 C ATOM 1001 CE2 TYR A 71 -3.026 10.842 -8.395 1.00 60.42 C ATOM 1002 CZ TYR A 71 -2.611 9.694 -7.750 1.00 4.04 C ATOM 1003 OH TYR A 71 -1.642 9.768 -6.778 1.00 51.41 O ATOM 0 H TYR A 71 -6.710 8.779 -8.251 1.00 12.41 H new ATOM 0 HA TYR A 71 -7.715 8.955 -11.022 1.00 64.12 H new ATOM 0 HB2 TYR A 71 -5.227 8.967 -11.662 1.00 5.54 H new ATOM 0 HB3 TYR A 71 -5.916 10.474 -11.090 1.00 5.54 H new ATOM 0 HD1 TYR A 71 -4.571 7.446 -9.306 1.00 3.32 H new ATOM 0 HD2 TYR A 71 -4.324 11.662 -9.872 1.00 4.25 H new ATOM 0 HE1 TYR A 71 -2.843 7.578 -7.567 1.00 34.03 H new ATOM 0 HE2 TYR A 71 -2.591 11.797 -8.139 1.00 60.42 H new ATOM 0 HH TYR A 71 -1.356 10.699 -6.672 1.00 51.41 H new ATOM 1012 N SER A 72 -6.450 6.686 -11.580 1.00 24.43 N ATOM 1013 CA SER A 72 -6.207 5.259 -11.757 1.00 40.13 C ATOM 1014 C SER A 72 -4.829 4.873 -11.228 1.00 70.00 C ATOM 1015 O SER A 72 -3.923 5.700 -11.123 1.00 70.34 O ATOM 1016 CB SER A 72 -6.323 4.879 -13.234 1.00 24.01 C ATOM 1017 OG SER A 72 -7.649 4.505 -13.562 1.00 23.13 O ATOM 0 H SER A 72 -6.448 7.225 -12.446 1.00 24.43 H new ATOM 0 HA SER A 72 -6.961 4.714 -11.189 1.00 40.13 H new ATOM 0 HB2 SER A 72 -6.015 5.721 -13.854 1.00 24.01 H new ATOM 0 HB3 SER A 72 -5.644 4.055 -13.455 1.00 24.01 H new ATOM 0 HG SER A 72 -7.697 4.268 -14.512 1.00 23.13 H new ATOM 1022 N PRO A 73 -4.666 3.587 -10.887 1.00 71.14 N ATOM 1023 CA PRO A 73 -3.401 3.060 -10.363 1.00 24.13 C ATOM 1024 C PRO A 73 -2.307 3.019 -11.424 1.00 5.01 C ATOM 1025 O PRO A 73 -2.566 2.805 -12.608 1.00 34.32 O ATOM 1026 CB PRO A 73 -3.766 1.643 -9.915 1.00 31.34 C ATOM 1027 CG PRO A 73 -4.941 1.270 -10.752 1.00 3.34 C ATOM 1028 CD PRO A 73 -5.703 2.545 -10.986 1.00 4.22 C ATOM 0 HA PRO A 73 -2.999 3.683 -9.565 1.00 24.13 H new ATOM 0 HB2 PRO A 73 -2.936 0.953 -10.069 1.00 31.34 H new ATOM 0 HB3 PRO A 73 -4.012 1.615 -8.853 1.00 31.34 H new ATOM 0 HG2 PRO A 73 -4.623 0.826 -11.696 1.00 3.34 H new ATOM 0 HG3 PRO A 73 -5.562 0.531 -10.246 1.00 3.34 H new ATOM 0 HD2 PRO A 73 -6.186 2.551 -11.963 1.00 4.22 H new ATOM 0 HD3 PRO A 73 -6.487 2.687 -10.242 1.00 4.22 H new ATOM 1033 N PRO A 74 -1.055 3.228 -10.991 1.00 1.25 N ATOM 1034 CA PRO A 74 0.104 3.219 -11.888 1.00 32.23 C ATOM 1035 C PRO A 74 0.416 1.823 -12.419 1.00 51.20 C ATOM 1036 O PRO A 74 0.159 0.813 -11.764 1.00 3.20 O ATOM 1037 CB PRO A 74 1.245 3.721 -10.999 1.00 33.44 C ATOM 1038 CG PRO A 74 0.825 3.374 -9.613 1.00 44.12 C ATOM 1039 CD PRO A 74 -0.674 3.489 -9.593 1.00 41.31 C ATOM 0 HA PRO A 74 -0.063 3.829 -12.776 1.00 32.23 H new ATOM 0 HB2 PRO A 74 2.189 3.242 -11.258 1.00 33.44 H new ATOM 0 HB3 PRO A 74 1.391 4.795 -11.111 1.00 33.44 H new ATOM 0 HG2 PRO A 74 1.142 2.365 -9.350 1.00 44.12 H new ATOM 0 HG3 PRO A 74 1.278 4.050 -8.887 1.00 44.12 H new ATOM 0 HD2 PRO A 74 -1.123 2.766 -8.912 1.00 41.31 H new ATOM 0 HD3 PRO A 74 -0.997 4.478 -9.266 1.00 41.31 H new ATOM 1044 N PRO A 75 0.983 1.764 -13.632 1.00 14.04 N ATOM 1045 CA PRO A 75 1.344 0.497 -14.276 1.00 23.54 C ATOM 1046 C PRO A 75 2.516 -0.192 -13.587 1.00 43.51 C ATOM 1047 O PRO A 75 3.578 0.396 -13.381 1.00 13.35 O ATOM 1048 CB PRO A 75 1.731 0.918 -15.696 1.00 64.01 C ATOM 1049 CG PRO A 75 2.162 2.338 -15.566 1.00 4.12 C ATOM 1050 CD PRO A 75 1.317 2.928 -14.470 1.00 53.23 C ATOM 0 HA PRO A 75 0.529 -0.225 -14.238 1.00 23.54 H new ATOM 0 HB2 PRO A 75 2.535 0.295 -16.089 1.00 64.01 H new ATOM 0 HB3 PRO A 75 0.889 0.821 -16.381 1.00 64.01 H new ATOM 0 HG2 PRO A 75 3.222 2.403 -15.320 1.00 4.12 H new ATOM 0 HG3 PRO A 75 2.018 2.877 -16.503 1.00 4.12 H new ATOM 0 HD2 PRO A 75 1.862 3.686 -13.907 1.00 53.23 H new ATOM 0 HD3 PRO A 75 0.422 3.408 -14.867 1.00 53.23 H new ATOM 1055 N PRO A 76 2.322 -1.467 -13.220 1.00 60.22 N ATOM 1056 CA PRO A 76 3.354 -2.263 -12.548 1.00 65.21 C ATOM 1057 C PRO A 76 4.517 -2.604 -13.474 1.00 44.44 C ATOM 1058 O PRO A 76 4.459 -2.394 -14.685 1.00 1.24 O ATOM 1059 CB PRO A 76 2.608 -3.534 -12.136 1.00 60.31 C ATOM 1060 CG PRO A 76 1.479 -3.642 -13.103 1.00 5.12 C ATOM 1061 CD PRO A 76 1.081 -2.230 -13.433 1.00 43.44 C ATOM 0 HA PRO A 76 3.804 -1.727 -11.713 1.00 65.21 H new ATOM 0 HB2 PRO A 76 3.257 -4.408 -12.187 1.00 60.31 H new ATOM 0 HB3 PRO A 76 2.245 -3.465 -11.110 1.00 60.31 H new ATOM 0 HG2 PRO A 76 1.783 -4.182 -14.000 1.00 5.12 H new ATOM 0 HG3 PRO A 76 0.644 -4.192 -12.668 1.00 5.12 H new ATOM 0 HD2 PRO A 76 0.727 -2.142 -14.460 1.00 43.44 H new ATOM 0 HD3 PRO A 76 0.277 -1.878 -12.787 1.00 43.44 H new ATOM 1066 N PRO A 77 5.598 -3.142 -12.891 1.00 34.24 N ATOM 1067 CA PRO A 77 6.795 -3.524 -13.647 1.00 53.15 C ATOM 1068 C PRO A 77 6.554 -4.734 -14.543 1.00 41.14 C ATOM 1069 O PRO A 77 6.622 -5.877 -14.089 1.00 24.55 O ATOM 1070 CB PRO A 77 7.812 -3.863 -12.553 1.00 45.41 C ATOM 1071 CG PRO A 77 6.986 -4.254 -11.376 1.00 3.02 C ATOM 1072 CD PRO A 77 5.736 -3.420 -11.452 1.00 32.00 C ATOM 0 HA PRO A 77 7.121 -2.732 -14.321 1.00 53.15 H new ATOM 0 HB2 PRO A 77 8.470 -4.675 -12.862 1.00 45.41 H new ATOM 0 HB3 PRO A 77 8.447 -3.007 -12.324 1.00 45.41 H new ATOM 0 HG2 PRO A 77 6.748 -5.317 -11.402 1.00 3.02 H new ATOM 0 HG3 PRO A 77 7.522 -4.070 -10.445 1.00 3.02 H new ATOM 0 HD2 PRO A 77 4.871 -3.956 -11.062 1.00 32.00 H new ATOM 0 HD3 PRO A 77 5.830 -2.502 -10.873 1.00 32.00 H new