USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= 0.656 K(o=1.6,f=-1.9) USER MOD Set 1.2: A 69 SER OG : rot 64:sc= 0.915 USER MOD Set 2.1: A 50 TYR OH : rot 78:sc= 0.661 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= -0.0738 USER MOD Set 2.3: A 62 GLN : amide:sc= 0.95 K(o=1.5,f=-7.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.76) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0198 (180deg=-0.163) USER MOD Single : A 54 ASN : amide:sc= -2.36! C(o=-2.4!,f=-6.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.84 USER MOD Single : A 72 SER OG : rot -36:sc= 0.477 USER MOD Single : A 76 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.81) USER MOD Single : A 79 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.63) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 96 SER OG : rot 76:sc= 0.796 USER MOD Single : A 98 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 99 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.59) USER MOD Single : A 102 SER OG : rot 38:sc= -0.0819 USER MOD Single : A 105 GLN : amide:sc= 0.581 K(o=0.58,f=-0.0071) USER MOD Single : A 106 HIS : no HD1:sc= -0.381 X(o=-0.38,f=0.091) USER MOD Single : A 108 GLN : amide:sc= -1.44 K(o=-1.4,f=0) USER MOD Single : A 113 SER OG : rot -65:sc= 0.483 USER MOD Single : A 122 SER OG : rot 37:sc= -8.55! USER MOD Single : A 123 ASN : amide:sc= 0.0591 K(o=0.059,f=-4.5!) USER MOD Single : A 128 ASN : amide:sc= 0.651 K(o=0.65,f=-0.11) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.327 -4.819 -5.668 1.00 0.00 N ATOM 64 CA GLU A 29 18.427 -4.109 -4.763 1.00 0.00 C ATOM 65 C GLU A 29 17.438 -3.250 -5.542 1.00 0.00 C ATOM 66 O GLU A 29 16.306 -3.040 -5.105 1.00 0.00 O ATOM 67 CB GLU A 29 19.222 -3.234 -3.795 1.00 0.00 C ATOM 68 CG GLU A 29 18.352 -2.478 -2.806 1.00 0.00 C ATOM 69 CD GLU A 29 19.149 -1.548 -1.922 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.270 -0.351 -2.265 1.00 0.00 O ATOM 71 OE2 GLU A 29 19.652 -2.001 -0.878 1.00 0.00 O ATOM 0 HA GLU A 29 17.869 -4.853 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.924 -3.860 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.814 -2.519 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.604 -1.902 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.813 -3.192 -2.183 1.00 0.00 H new ATOM 78 N LYS A 30 17.868 -2.760 -6.697 1.00 0.00 N ATOM 79 CA LYS A 30 16.991 -1.986 -7.559 1.00 0.00 C ATOM 80 C LYS A 30 15.807 -2.836 -7.994 1.00 0.00 C ATOM 81 O LYS A 30 14.669 -2.377 -7.991 1.00 0.00 O ATOM 82 CB LYS A 30 17.738 -1.465 -8.785 1.00 0.00 C ATOM 83 CG LYS A 30 18.959 -0.625 -8.447 1.00 0.00 C ATOM 84 CD LYS A 30 19.105 0.551 -9.400 1.00 0.00 C ATOM 85 CE LYS A 30 19.151 0.108 -10.852 1.00 0.00 C ATOM 86 NZ LYS A 30 19.125 1.268 -11.780 1.00 0.00 N ATOM 0 H LYS A 30 18.815 -2.885 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 30 16.631 -1.127 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.049 -2.312 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.054 -0.869 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.878 -0.258 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.854 -1.246 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.271 1.238 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.015 1.100 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.054 -0.477 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.303 -0.544 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.158 0.928 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.251 1.812 -11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.948 1.877 -11.597 1.00 0.00 H new ATOM 100 N ALA A 31 16.079 -4.087 -8.336 1.00 0.00 N ATOM 101 CA ALA A 31 15.034 -5.013 -8.735 1.00 0.00 C ATOM 102 C ALA A 31 14.178 -5.402 -7.534 1.00 0.00 C ATOM 103 O ALA A 31 12.961 -5.554 -7.655 1.00 0.00 O ATOM 104 CB ALA A 31 15.637 -6.245 -9.388 1.00 0.00 C ATOM 0 H ALA A 31 17.019 -4.483 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 31 14.393 -4.519 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.840 -6.928 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.203 -5.948 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.301 -6.743 -8.681 1.00 0.00 H new ATOM 110 N ASP A 32 14.821 -5.552 -6.374 1.00 0.00 N ATOM 111 CA ASP A 32 14.105 -5.859 -5.135 1.00 0.00 C ATOM 112 C ASP A 32 13.116 -4.753 -4.799 1.00 0.00 C ATOM 113 O ASP A 32 11.954 -5.019 -4.499 1.00 0.00 O ATOM 114 CB ASP A 32 15.073 -6.040 -3.958 1.00 0.00 C ATOM 115 CG ASP A 32 15.836 -7.349 -3.999 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.963 -7.368 -4.527 1.00 0.00 O ATOM 117 OD2 ASP A 32 15.317 -8.367 -3.487 1.00 0.00 O ATOM 0 H ASP A 32 15.832 -5.466 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 32 13.568 -6.794 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.784 -5.214 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.512 -5.984 -3.025 1.00 0.00 H new ATOM 122 N ARG A 33 13.572 -3.506 -4.865 1.00 0.00 N ATOM 123 CA ARG A 33 12.707 -2.374 -4.572 1.00 0.00 C ATOM 124 C ARG A 33 11.652 -2.203 -5.658 1.00 0.00 C ATOM 125 O ARG A 33 10.535 -1.802 -5.370 1.00 0.00 O ATOM 126 CB ARG A 33 13.496 -1.076 -4.351 1.00 0.00 C ATOM 127 CG ARG A 33 14.229 -0.554 -5.574 1.00 0.00 C ATOM 128 CD ARG A 33 15.045 0.680 -5.231 1.00 0.00 C ATOM 129 NE ARG A 33 15.695 1.265 -6.402 1.00 0.00 N ATOM 130 CZ ARG A 33 16.772 2.048 -6.341 1.00 0.00 C ATOM 131 NH1 ARG A 33 17.334 2.317 -5.168 1.00 0.00 N ATOM 132 NH2 ARG A 33 17.283 2.564 -7.452 1.00 0.00 N ATOM 0 H ARG A 33 14.529 -3.257 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 33 12.199 -2.593 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.808 -0.306 -4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.221 -1.241 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.885 -1.330 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.511 -0.314 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.396 1.424 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.802 0.417 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 33 15.301 1.062 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.941 1.924 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.158 2.916 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.851 2.362 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.107 3.163 -7.404 1.00 0.00 H new ATOM 146 N GLN A 34 12.008 -2.486 -6.908 1.00 0.00 N ATOM 147 CA GLN A 34 11.033 -2.455 -7.998 1.00 0.00 C ATOM 148 C GLN A 34 9.932 -3.491 -7.772 1.00 0.00 C ATOM 149 O GLN A 34 8.771 -3.258 -8.113 1.00 0.00 O ATOM 150 CB GLN A 34 11.713 -2.685 -9.348 1.00 0.00 C ATOM 151 CG GLN A 34 12.470 -1.469 -9.854 1.00 0.00 C ATOM 152 CD GLN A 34 11.566 -0.274 -10.083 1.00 0.00 C ATOM 153 OE1 GLN A 34 10.391 -0.420 -10.422 1.00 0.00 O ATOM 154 NE2 GLN A 34 12.105 0.917 -9.893 1.00 0.00 N ATOM 0 H GLN A 34 12.955 -2.737 -7.191 1.00 0.00 H new ATOM 0 HA GLN A 34 10.577 -1.465 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.403 -3.524 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.959 -2.967 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.244 -1.202 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.975 -1.722 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.082 0.996 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.544 1.758 -10.027 1.00 0.00 H new ATOM 163 N LYS A 35 10.301 -4.630 -7.197 1.00 0.00 N ATOM 164 CA LYS A 35 9.325 -5.632 -6.777 1.00 0.00 C ATOM 165 C LYS A 35 8.410 -5.040 -5.711 1.00 0.00 C ATOM 166 O LYS A 35 7.192 -5.225 -5.746 1.00 0.00 O ATOM 167 CB LYS A 35 10.045 -6.878 -6.243 1.00 0.00 C ATOM 168 CG LYS A 35 9.135 -7.877 -5.543 1.00 0.00 C ATOM 169 CD LYS A 35 7.992 -8.332 -6.433 1.00 0.00 C ATOM 170 CE LYS A 35 7.073 -9.290 -5.696 1.00 0.00 C ATOM 171 NZ LYS A 35 5.818 -9.545 -6.444 1.00 0.00 N ATOM 0 H LYS A 35 11.271 -4.884 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 35 8.719 -5.928 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.544 -7.378 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.823 -6.563 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.719 -8.743 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.731 -7.425 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.423 -7.466 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.391 -8.819 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.593 -10.233 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.833 -8.879 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.220 -10.204 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.308 -8.649 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.044 -9.961 -7.370 1.00 0.00 H new ATOM 185 N VAL A 36 9.012 -4.297 -4.792 1.00 0.00 N ATOM 186 CA VAL A 36 8.266 -3.596 -3.759 1.00 0.00 C ATOM 187 C VAL A 36 7.305 -2.599 -4.396 1.00 0.00 C ATOM 188 O VAL A 36 6.143 -2.524 -4.019 1.00 0.00 O ATOM 189 CB VAL A 36 9.217 -2.850 -2.794 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.438 -2.083 -1.741 1.00 0.00 C ATOM 191 CG2 VAL A 36 10.181 -3.821 -2.133 1.00 0.00 C ATOM 0 H VAL A 36 10.022 -4.165 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 36 7.704 -4.336 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 36 9.791 -2.133 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.133 -1.569 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.792 -1.352 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.829 -2.777 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.841 -3.276 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.618 -4.564 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.776 -4.320 -2.898 1.00 0.00 H new ATOM 201 N VAL A 37 7.800 -1.862 -5.386 1.00 0.00 N ATOM 202 CA VAL A 37 6.995 -0.887 -6.115 1.00 0.00 C ATOM 203 C VAL A 37 5.806 -1.553 -6.805 1.00 0.00 C ATOM 204 O VAL A 37 4.709 -1.004 -6.826 1.00 0.00 O ATOM 205 CB VAL A 37 7.839 -0.130 -7.170 1.00 0.00 C ATOM 206 CG1 VAL A 37 6.978 0.834 -7.975 1.00 0.00 C ATOM 207 CG2 VAL A 37 8.984 0.619 -6.505 1.00 0.00 C ATOM 0 H VAL A 37 8.767 -1.923 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 37 6.626 -0.173 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 37 8.254 -0.869 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.598 1.351 -8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.194 0.279 -8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.524 1.564 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.565 1.144 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.582 1.339 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.627 -0.089 -5.982 1.00 0.00 H new ATOM 217 N SER A 38 6.024 -2.739 -7.359 1.00 0.00 N ATOM 218 CA SER A 38 4.970 -3.453 -8.068 1.00 0.00 C ATOM 219 C SER A 38 3.813 -3.785 -7.124 1.00 0.00 C ATOM 220 O SER A 38 2.642 -3.572 -7.451 1.00 0.00 O ATOM 221 CB SER A 38 5.529 -4.731 -8.698 1.00 0.00 C ATOM 222 OG SER A 38 4.532 -5.423 -9.434 1.00 0.00 O ATOM 0 H SER A 38 6.920 -3.226 -7.331 1.00 0.00 H new ATOM 0 HA SER A 38 4.589 -2.809 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.361 -4.481 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.924 -5.381 -7.917 1.00 0.00 H new ATOM 0 HG SER A 38 4.918 -6.234 -9.826 1.00 0.00 H new ATOM 228 N ASP A 39 4.133 -4.305 -5.953 1.00 0.00 N ATOM 229 CA ASP A 39 3.110 -4.587 -4.957 1.00 0.00 C ATOM 230 C ASP A 39 2.565 -3.289 -4.377 1.00 0.00 C ATOM 231 O ASP A 39 1.388 -3.183 -4.044 1.00 0.00 O ATOM 232 CB ASP A 39 3.651 -5.494 -3.855 1.00 0.00 C ATOM 233 CG ASP A 39 3.962 -6.886 -4.364 1.00 0.00 C ATOM 234 OD1 ASP A 39 3.115 -7.469 -5.079 1.00 0.00 O ATOM 235 OD2 ASP A 39 5.052 -7.408 -4.058 1.00 0.00 O ATOM 0 H ASP A 39 5.084 -4.540 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 39 2.292 -5.116 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.554 -5.052 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.921 -5.558 -3.048 1.00 0.00 H new ATOM 240 N LEU A 40 3.444 -2.304 -4.266 1.00 0.00 N ATOM 241 CA LEU A 40 3.101 -0.990 -3.740 1.00 0.00 C ATOM 242 C LEU A 40 2.026 -0.317 -4.592 1.00 0.00 C ATOM 243 O LEU A 40 1.075 0.253 -4.062 1.00 0.00 O ATOM 244 CB LEU A 40 4.356 -0.119 -3.704 1.00 0.00 C ATOM 245 CG LEU A 40 4.272 1.141 -2.850 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.153 0.781 -1.378 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.494 2.011 -3.091 1.00 0.00 C ATOM 0 H LEU A 40 4.422 -2.394 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 40 2.703 -1.112 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.185 -0.726 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.600 0.174 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 40 3.381 1.701 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.094 1.693 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.253 0.187 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.026 0.205 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.428 2.910 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.394 1.456 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.539 2.292 -4.143 1.00 0.00 H new ATOM 259 N VAL A 41 2.184 -0.379 -5.913 1.00 0.00 N ATOM 260 CA VAL A 41 1.187 0.180 -6.817 1.00 0.00 C ATOM 261 C VAL A 41 -0.124 -0.591 -6.707 1.00 0.00 C ATOM 262 O VAL A 41 -1.196 -0.008 -6.820 1.00 0.00 O ATOM 263 CB VAL A 41 1.655 0.241 -8.293 1.00 0.00 C ATOM 264 CG1 VAL A 41 2.921 1.072 -8.423 1.00 0.00 C ATOM 265 CG2 VAL A 41 1.866 -1.141 -8.880 1.00 0.00 C ATOM 0 H VAL A 41 2.986 -0.807 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 41 1.034 1.212 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 41 0.859 0.721 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.231 1.101 -9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.728 2.086 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.713 0.625 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.194 -1.050 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.626 -1.669 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.930 -1.699 -8.843 1.00 0.00 H new ATOM 275 N ALA A 42 -0.035 -1.903 -6.491 1.00 0.00 N ATOM 276 CA ALA A 42 -1.226 -2.707 -6.228 1.00 0.00 C ATOM 277 C ALA A 42 -1.925 -2.215 -4.965 1.00 0.00 C ATOM 278 O ALA A 42 -3.150 -2.083 -4.931 1.00 0.00 O ATOM 279 CB ALA A 42 -0.860 -4.178 -6.084 1.00 0.00 C ATOM 0 H ALA A 42 0.840 -2.427 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.906 -2.601 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.761 -4.760 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.394 -4.529 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.162 -4.300 -5.255 1.00 0.00 H new ATOM 285 N LEU A 43 -1.133 -1.936 -3.932 1.00 0.00 N ATOM 286 CA LEU A 43 -1.654 -1.396 -2.679 1.00 0.00 C ATOM 287 C LEU A 43 -2.319 -0.045 -2.908 1.00 0.00 C ATOM 288 O LEU A 43 -3.446 0.186 -2.474 1.00 0.00 O ATOM 289 CB LEU A 43 -0.523 -1.230 -1.659 1.00 0.00 C ATOM 290 CG LEU A 43 0.151 -2.518 -1.191 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.329 -2.181 -0.298 1.00 0.00 C ATOM 292 CD2 LEU A 43 -0.836 -3.401 -0.446 1.00 0.00 C ATOM 0 H LEU A 43 -0.123 -2.076 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.393 -2.099 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.238 -0.582 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.921 -0.714 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 43 0.506 -3.065 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.808 -3.102 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.047 -1.579 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.980 -1.620 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.335 -4.313 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.217 -2.867 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.665 -3.657 -1.106 1.00 0.00 H new ATOM 304 N GLU A 44 -1.620 0.837 -3.609 1.00 0.00 N ATOM 305 CA GLU A 44 -2.121 2.178 -3.872 1.00 0.00 C ATOM 306 C GLU A 44 -3.386 2.114 -4.721 1.00 0.00 C ATOM 307 O GLU A 44 -4.357 2.822 -4.461 1.00 0.00 O ATOM 308 CB GLU A 44 -1.056 3.016 -4.580 1.00 0.00 C ATOM 309 CG GLU A 44 -1.428 4.484 -4.702 1.00 0.00 C ATOM 310 CD GLU A 44 -0.493 5.255 -5.607 1.00 0.00 C ATOM 311 OE1 GLU A 44 0.495 5.828 -5.106 1.00 0.00 O ATOM 312 OE2 GLU A 44 -0.760 5.308 -6.829 1.00 0.00 O ATOM 0 H GLU A 44 -0.700 0.646 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.361 2.650 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.116 2.931 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.886 2.608 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.445 4.565 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.423 4.938 -3.711 1.00 0.00 H new ATOM 319 N GLY A 45 -3.367 1.247 -5.727 1.00 0.00 N ATOM 320 CA GLY A 45 -4.520 1.064 -6.580 1.00 0.00 C ATOM 321 C GLY A 45 -5.718 0.550 -5.813 1.00 0.00 C ATOM 322 O GLY A 45 -6.850 0.954 -6.075 1.00 0.00 O ATOM 0 H GLY A 45 -2.565 0.664 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.773 2.012 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.273 0.364 -7.378 1.00 0.00 H new ATOM 326 N ALA A 46 -5.467 -0.341 -4.862 1.00 0.00 N ATOM 327 CA ALA A 46 -6.521 -0.858 -4.003 1.00 0.00 C ATOM 328 C ALA A 46 -7.104 0.262 -3.150 1.00 0.00 C ATOM 329 O ALA A 46 -8.318 0.363 -2.986 1.00 0.00 O ATOM 330 CB ALA A 46 -5.987 -1.978 -3.124 1.00 0.00 C ATOM 0 H ALA A 46 -4.540 -0.720 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.315 -1.263 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.788 -2.354 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.613 -2.786 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.177 -1.597 -2.502 1.00 0.00 H new ATOM 336 N LEU A 47 -6.225 1.105 -2.625 1.00 0.00 N ATOM 337 CA LEU A 47 -6.629 2.263 -1.834 1.00 0.00 C ATOM 338 C LEU A 47 -7.462 3.233 -2.663 1.00 0.00 C ATOM 339 O LEU A 47 -8.525 3.677 -2.228 1.00 0.00 O ATOM 340 CB LEU A 47 -5.392 2.980 -1.279 1.00 0.00 C ATOM 341 CG LEU A 47 -4.885 2.499 0.090 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.851 0.980 0.177 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.502 3.070 0.358 1.00 0.00 C ATOM 0 H LEU A 47 -5.216 1.007 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.243 1.908 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.582 2.874 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.617 4.044 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.581 2.857 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.487 0.680 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.855 0.584 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.186 0.586 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.148 2.725 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.814 2.736 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.551 4.159 0.355 1.00 0.00 H new ATOM 355 N ASP A 48 -6.978 3.552 -3.858 1.00 0.00 N ATOM 356 CA ASP A 48 -7.681 4.469 -4.752 1.00 0.00 C ATOM 357 C ASP A 48 -9.045 3.920 -5.146 1.00 0.00 C ATOM 358 O ASP A 48 -10.027 4.660 -5.191 1.00 0.00 O ATOM 359 CB ASP A 48 -6.853 4.757 -6.008 1.00 0.00 C ATOM 360 CG ASP A 48 -5.919 5.940 -5.833 1.00 0.00 C ATOM 361 OD1 ASP A 48 -6.404 7.092 -5.865 1.00 0.00 O ATOM 362 OD2 ASP A 48 -4.697 5.729 -5.675 1.00 0.00 O ATOM 0 H ASP A 48 -6.101 3.190 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.828 5.402 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.269 3.873 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.524 4.950 -6.845 1.00 0.00 H new ATOM 367 N MET A 49 -9.108 2.622 -5.420 1.00 0.00 N ATOM 368 CA MET A 49 -10.368 1.988 -5.794 1.00 0.00 C ATOM 369 C MET A 49 -11.304 1.896 -4.595 1.00 0.00 C ATOM 370 O MET A 49 -12.516 2.076 -4.729 1.00 0.00 O ATOM 371 CB MET A 49 -10.131 0.600 -6.394 1.00 0.00 C ATOM 372 CG MET A 49 -9.425 0.636 -7.740 1.00 0.00 C ATOM 373 SD MET A 49 -10.337 1.577 -8.977 1.00 0.00 S ATOM 374 CE MET A 49 -9.198 1.507 -10.359 1.00 0.00 C ATOM 0 H MET A 49 -8.307 1.991 -5.391 1.00 0.00 H new ATOM 0 HA MET A 49 -10.840 2.610 -6.554 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.538 0.008 -5.697 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.089 0.093 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.434 1.073 -7.615 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.281 -0.383 -8.098 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.621 2.047 -11.207 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.251 1.964 -10.073 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.029 0.467 -10.639 1.00 0.00 H new ATOM 384 N TYR A 50 -10.741 1.630 -3.422 1.00 0.00 N ATOM 385 CA TYR A 50 -11.527 1.589 -2.198 1.00 0.00 C ATOM 386 C TYR A 50 -12.117 2.967 -1.928 1.00 0.00 C ATOM 387 O TYR A 50 -13.273 3.092 -1.539 1.00 0.00 O ATOM 388 CB TYR A 50 -10.666 1.144 -1.012 1.00 0.00 C ATOM 389 CG TYR A 50 -11.466 0.741 0.210 1.00 0.00 C ATOM 390 CD1 TYR A 50 -11.892 1.684 1.138 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.793 -0.590 0.432 1.00 0.00 C ATOM 392 CE1 TYR A 50 -12.624 1.310 2.252 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.522 -0.969 1.541 1.00 0.00 C ATOM 394 CZ TYR A 50 -12.936 -0.018 2.446 1.00 0.00 C ATOM 395 OH TYR A 50 -13.661 -0.404 3.551 1.00 0.00 O ATOM 0 H TYR A 50 -9.747 1.440 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.332 0.865 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.045 0.303 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.991 1.956 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.648 2.725 0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.472 -1.341 -0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.948 2.054 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.767 -2.009 1.698 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.608 -0.193 3.411 1.00 0.00 H new ATOM 405 N LYS A 51 -11.311 3.996 -2.154 1.00 0.00 N ATOM 406 CA LYS A 51 -11.757 5.373 -1.995 1.00 0.00 C ATOM 407 C LYS A 51 -12.782 5.734 -3.065 1.00 0.00 C ATOM 408 O LYS A 51 -13.677 6.539 -2.835 1.00 0.00 O ATOM 409 CB LYS A 51 -10.575 6.342 -2.070 1.00 0.00 C ATOM 410 CG LYS A 51 -10.986 7.794 -1.898 1.00 0.00 C ATOM 411 CD LYS A 51 -9.821 8.740 -2.105 1.00 0.00 C ATOM 412 CE LYS A 51 -10.228 10.184 -1.864 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.316 10.626 -2.777 1.00 0.00 N ATOM 0 H LYS A 51 -10.339 3.901 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.222 5.460 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.850 6.082 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.075 6.223 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.778 8.033 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.398 7.939 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.009 8.472 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.440 8.633 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.555 10.299 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.360 10.830 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.443 11.655 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.065 10.386 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.202 10.146 -2.519 1.00 0.00 H new ATOM 427 N LEU A 52 -12.636 5.153 -4.242 1.00 0.00 N ATOM 428 CA LEU A 52 -13.566 5.415 -5.328 1.00 0.00 C ATOM 429 C LEU A 52 -14.959 4.912 -4.962 1.00 0.00 C ATOM 430 O LEU A 52 -15.945 5.637 -5.085 1.00 0.00 O ATOM 431 CB LEU A 52 -13.079 4.743 -6.615 1.00 0.00 C ATOM 432 CG LEU A 52 -13.928 5.015 -7.859 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.940 6.500 -8.188 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.405 4.213 -9.040 1.00 0.00 C ATOM 0 H LEU A 52 -11.887 4.500 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.617 6.491 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.059 5.072 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.040 3.666 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.952 4.703 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.549 6.671 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.358 7.055 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.921 6.839 -8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.018 4.416 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.373 4.498 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.448 3.149 -8.805 1.00 0.00 H new ATOM 446 N ASP A 53 -15.027 3.676 -4.489 1.00 0.00 N ATOM 447 CA ASP A 53 -16.300 3.063 -4.123 1.00 0.00 C ATOM 448 C ASP A 53 -16.828 3.576 -2.780 1.00 0.00 C ATOM 449 O ASP A 53 -18.025 3.817 -2.626 1.00 0.00 O ATOM 450 CB ASP A 53 -16.159 1.539 -4.085 1.00 0.00 C ATOM 451 CG ASP A 53 -17.432 0.846 -3.635 1.00 0.00 C ATOM 452 OD1 ASP A 53 -17.438 0.271 -2.529 1.00 0.00 O ATOM 453 OD2 ASP A 53 -18.436 0.883 -4.385 1.00 0.00 O ATOM 0 H ASP A 53 -14.215 3.075 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.026 3.345 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.884 1.178 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.346 1.270 -3.411 1.00 0.00 H new ATOM 458 N ASN A 54 -15.934 3.761 -1.814 1.00 0.00 N ATOM 459 CA ASN A 54 -16.344 4.067 -0.441 1.00 0.00 C ATOM 460 C ASN A 54 -16.083 5.523 -0.071 1.00 0.00 C ATOM 461 O ASN A 54 -16.146 5.884 1.106 1.00 0.00 O ATOM 462 CB ASN A 54 -15.620 3.151 0.548 1.00 0.00 C ATOM 463 CG ASN A 54 -15.902 1.686 0.290 1.00 0.00 C ATOM 464 OD1 ASN A 54 -16.857 1.125 0.815 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.069 1.062 -0.523 1.00 0.00 N ATOM 0 H ASN A 54 -14.925 3.706 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.419 3.896 -0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.546 3.328 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.925 3.404 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.208 0.074 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.287 1.568 -0.938 1.00 0.00 H new ATOM 472 N SER A 55 -15.768 6.342 -1.073 1.00 0.00 N ATOM 473 CA SER A 55 -15.589 7.792 -0.906 1.00 0.00 C ATOM 474 C SER A 55 -14.282 8.156 -0.181 1.00 0.00 C ATOM 475 O SER A 55 -13.584 9.085 -0.590 1.00 0.00 O ATOM 476 CB SER A 55 -16.793 8.400 -0.176 1.00 0.00 C ATOM 477 OG SER A 55 -18.010 8.043 -0.817 1.00 0.00 O ATOM 0 H SER A 55 -15.628 6.021 -2.031 1.00 0.00 H new ATOM 0 HA SER A 55 -15.520 8.216 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.808 8.056 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.697 9.485 -0.149 1.00 0.00 H new ATOM 0 HG SER A 55 -18.764 8.441 -0.333 1.00 0.00 H new ATOM 483 N ARG A 56 -13.949 7.434 0.881 1.00 0.00 N ATOM 484 CA ARG A 56 -12.776 7.760 1.684 1.00 0.00 C ATOM 485 C ARG A 56 -11.749 6.626 1.665 1.00 0.00 C ATOM 486 O ARG A 56 -12.061 5.502 1.273 1.00 0.00 O ATOM 487 CB ARG A 56 -13.206 8.104 3.122 1.00 0.00 C ATOM 488 CG ARG A 56 -14.014 7.019 3.829 1.00 0.00 C ATOM 489 CD ARG A 56 -13.113 5.976 4.464 1.00 0.00 C ATOM 490 NE ARG A 56 -13.860 4.995 5.244 1.00 0.00 N ATOM 491 CZ ARG A 56 -13.447 3.746 5.443 1.00 0.00 C ATOM 492 NH1 ARG A 56 -12.299 3.339 4.921 1.00 0.00 N ATOM 493 NH2 ARG A 56 -14.167 2.909 6.176 1.00 0.00 N ATOM 0 H ARG A 56 -14.472 6.621 1.206 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.291 8.633 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.314 8.314 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.797 9.020 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.642 7.473 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.681 6.538 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.550 5.463 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.387 6.471 5.108 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.746 5.282 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.734 3.983 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.981 2.382 5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.044 3.221 6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.844 1.953 6.324 1.00 0.00 H new ATOM 507 N TYR A 57 -10.528 6.940 2.090 1.00 0.00 N ATOM 508 CA TYR A 57 -9.422 5.980 2.091 1.00 0.00 C ATOM 509 C TYR A 57 -9.602 4.903 3.160 1.00 0.00 C ATOM 510 O TYR A 57 -10.178 5.154 4.218 1.00 0.00 O ATOM 511 CB TYR A 57 -8.090 6.701 2.321 1.00 0.00 C ATOM 512 CG TYR A 57 -7.496 7.327 1.079 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.330 8.702 0.977 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.086 6.535 0.012 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.771 9.270 -0.153 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.531 7.095 -1.121 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.375 8.462 -1.198 1.00 0.00 C ATOM 518 OH TYR A 57 -5.815 9.023 -2.324 1.00 0.00 O ATOM 0 H TYR A 57 -10.275 7.863 2.443 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.418 5.495 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.236 7.479 3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.373 5.991 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.642 9.337 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.204 5.463 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.645 10.341 -0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.221 6.466 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.591 8.316 -2.965 1.00 0.00 H new ATOM 528 N PRO A 58 -9.108 3.683 2.883 1.00 0.00 N ATOM 529 CA PRO A 58 -9.166 2.563 3.829 1.00 0.00 C ATOM 530 C PRO A 58 -8.191 2.729 4.993 1.00 0.00 C ATOM 531 O PRO A 58 -7.126 3.329 4.846 1.00 0.00 O ATOM 532 CB PRO A 58 -8.763 1.363 2.972 1.00 0.00 C ATOM 533 CG PRO A 58 -7.897 1.934 1.908 1.00 0.00 C ATOM 534 CD PRO A 58 -8.449 3.301 1.618 1.00 0.00 C ATOM 0 HA PRO A 58 -10.149 2.472 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.228 0.618 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.637 0.868 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.860 1.993 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.912 1.309 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.660 4.003 1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.155 3.281 0.788 1.00 0.00 H new ATOM 542 N THR A 59 -8.567 2.188 6.143 1.00 0.00 N ATOM 543 CA THR A 59 -7.744 2.256 7.341 1.00 0.00 C ATOM 544 C THR A 59 -6.726 1.117 7.371 1.00 0.00 C ATOM 545 O THR A 59 -6.692 0.294 6.455 1.00 0.00 O ATOM 546 CB THR A 59 -8.607 2.218 8.613 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.483 1.088 8.571 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.419 3.498 8.752 1.00 0.00 C ATOM 0 H THR A 59 -9.448 1.691 6.271 1.00 0.00 H new ATOM 0 HA THR A 59 -7.209 3.205 7.314 1.00 0.00 H new ATOM 0 HB THR A 59 -7.947 2.133 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.030 1.067 9.384 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.022 3.450 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.744 4.352 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.073 3.610 7.887 1.00 0.00 H new ATOM 556 N THR A 60 -5.908 1.074 8.419 1.00 0.00 N ATOM 557 CA THR A 60 -4.780 0.143 8.507 1.00 0.00 C ATOM 558 C THR A 60 -5.181 -1.313 8.201 1.00 0.00 C ATOM 559 O THR A 60 -4.441 -2.036 7.529 1.00 0.00 O ATOM 560 CB THR A 60 -4.110 0.226 9.903 1.00 0.00 C ATOM 561 OG1 THR A 60 -2.993 -0.666 9.976 1.00 0.00 O ATOM 562 CG2 THR A 60 -5.094 -0.096 11.019 1.00 0.00 C ATOM 0 H THR A 60 -6.006 1.682 9.232 1.00 0.00 H new ATOM 0 HA THR A 60 -4.067 0.448 7.742 1.00 0.00 H new ATOM 0 HB THR A 60 -3.766 1.252 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.294 -0.367 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.587 -0.027 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.920 0.615 10.992 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.480 -1.106 10.883 1.00 0.00 H new ATOM 570 N GLU A 61 -6.353 -1.729 8.661 1.00 0.00 N ATOM 571 CA GLU A 61 -6.836 -3.081 8.405 1.00 0.00 C ATOM 572 C GLU A 61 -7.348 -3.208 6.974 1.00 0.00 C ATOM 573 O GLU A 61 -7.034 -4.165 6.265 1.00 0.00 O ATOM 574 CB GLU A 61 -7.955 -3.428 9.388 1.00 0.00 C ATOM 575 CG GLU A 61 -8.642 -4.755 9.111 1.00 0.00 C ATOM 576 CD GLU A 61 -9.809 -5.002 10.040 1.00 0.00 C ATOM 577 OE1 GLU A 61 -9.618 -5.656 11.087 1.00 0.00 O ATOM 578 OE2 GLU A 61 -10.923 -4.530 9.735 1.00 0.00 O ATOM 0 H GLU A 61 -6.987 -1.151 9.213 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.007 -3.776 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.543 -3.449 10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.702 -2.634 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.992 -4.772 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.920 -5.564 9.216 1.00 0.00 H new ATOM 585 N GLN A 62 -8.113 -2.215 6.557 1.00 0.00 N ATOM 586 CA GLN A 62 -8.820 -2.255 5.285 1.00 0.00 C ATOM 587 C GLN A 62 -7.876 -2.109 4.091 1.00 0.00 C ATOM 588 O GLN A 62 -8.143 -2.651 3.019 1.00 0.00 O ATOM 589 CB GLN A 62 -9.862 -1.140 5.256 1.00 0.00 C ATOM 590 CG GLN A 62 -10.913 -1.259 6.348 1.00 0.00 C ATOM 591 CD GLN A 62 -11.651 0.042 6.581 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.792 0.860 5.675 1.00 0.00 O ATOM 593 NE2 GLN A 62 -12.116 0.249 7.803 1.00 0.00 N ATOM 0 H GLN A 62 -8.263 -1.358 7.089 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.300 -3.230 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.356 -0.179 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.357 -1.142 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.628 -2.036 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.435 -1.574 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.978 -0.456 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.612 1.113 8.020 1.00 0.00 H new ATOM 602 N GLY A 63 -6.776 -1.386 4.283 1.00 0.00 N ATOM 603 CA GLY A 63 -5.882 -1.071 3.179 1.00 0.00 C ATOM 604 C GLY A 63 -5.311 -2.297 2.489 1.00 0.00 C ATOM 605 O GLY A 63 -5.394 -2.419 1.268 1.00 0.00 O ATOM 0 H GLY A 63 -6.486 -1.011 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.421 -0.470 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.061 -0.459 3.551 1.00 0.00 H new ATOM 609 N LEU A 64 -4.745 -3.214 3.263 1.00 0.00 N ATOM 610 CA LEU A 64 -4.190 -4.441 2.699 1.00 0.00 C ATOM 611 C LEU A 64 -5.286 -5.379 2.218 1.00 0.00 C ATOM 612 O LEU A 64 -5.118 -6.095 1.236 1.00 0.00 O ATOM 613 CB LEU A 64 -3.301 -5.162 3.713 1.00 0.00 C ATOM 614 CG LEU A 64 -1.799 -4.906 3.564 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.444 -3.474 3.932 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.011 -5.894 4.411 1.00 0.00 C ATOM 0 H LEU A 64 -4.658 -3.134 4.276 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.582 -4.151 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.606 -4.864 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.480 -6.234 3.631 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.531 -5.052 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.371 -3.324 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.979 -2.787 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.727 -3.284 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.056 -5.702 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.290 -5.779 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.233 -6.910 4.086 1.00 0.00 H new ATOM 628 N GLN A 65 -6.412 -5.368 2.912 1.00 0.00 N ATOM 629 CA GLN A 65 -7.507 -6.277 2.603 1.00 0.00 C ATOM 630 C GLN A 65 -8.157 -5.946 1.266 1.00 0.00 C ATOM 631 O GLN A 65 -8.686 -6.827 0.593 1.00 0.00 O ATOM 632 CB GLN A 65 -8.552 -6.242 3.720 1.00 0.00 C ATOM 633 CG GLN A 65 -8.079 -6.906 5.002 1.00 0.00 C ATOM 634 CD GLN A 65 -7.797 -8.381 4.810 1.00 0.00 C ATOM 635 OE1 GLN A 65 -8.440 -9.045 4.000 1.00 0.00 O ATOM 636 NE2 GLN A 65 -6.821 -8.898 5.537 1.00 0.00 N ATOM 0 H GLN A 65 -6.593 -4.739 3.694 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.091 -7.282 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.815 -5.205 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.460 -6.737 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.176 -6.408 5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.836 -6.780 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.312 -8.311 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.577 -9.883 5.436 1.00 0.00 H new ATOM 645 N ALA A 66 -8.071 -4.686 0.867 1.00 0.00 N ATOM 646 CA ALA A 66 -8.771 -4.197 -0.315 1.00 0.00 C ATOM 647 C ALA A 66 -8.358 -4.922 -1.599 1.00 0.00 C ATOM 648 O ALA A 66 -9.121 -4.949 -2.565 1.00 0.00 O ATOM 649 CB ALA A 66 -8.555 -2.698 -0.457 1.00 0.00 C ATOM 0 H ALA A 66 -7.518 -3.977 1.348 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.831 -4.407 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.080 -2.337 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.941 -2.190 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.489 -2.492 -0.558 1.00 0.00 H new ATOM 655 N LEU A 67 -7.165 -5.509 -1.624 1.00 0.00 N ATOM 656 CA LEU A 67 -6.711 -6.199 -2.828 1.00 0.00 C ATOM 657 C LEU A 67 -6.799 -7.721 -2.718 1.00 0.00 C ATOM 658 O LEU A 67 -6.475 -8.419 -3.674 1.00 0.00 O ATOM 659 CB LEU A 67 -5.295 -5.766 -3.254 1.00 0.00 C ATOM 660 CG LEU A 67 -4.206 -5.707 -2.171 1.00 0.00 C ATOM 661 CD1 LEU A 67 -4.023 -7.045 -1.470 1.00 0.00 C ATOM 662 CD2 LEU A 67 -2.891 -5.271 -2.799 1.00 0.00 C ATOM 0 H LEU A 67 -6.508 -5.522 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.406 -5.893 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.956 -6.450 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.370 -4.778 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.522 -4.984 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.244 -6.956 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.959 -7.338 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.735 -7.802 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.118 -5.229 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.600 -5.986 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.011 -4.285 -3.248 1.00 0.00 H new ATOM 674 N VAL A 68 -7.218 -8.238 -1.570 1.00 0.00 N ATOM 675 CA VAL A 68 -7.289 -9.688 -1.392 1.00 0.00 C ATOM 676 C VAL A 68 -8.701 -10.147 -1.009 1.00 0.00 C ATOM 677 O VAL A 68 -9.246 -11.072 -1.616 1.00 0.00 O ATOM 678 CB VAL A 68 -6.246 -10.194 -0.358 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.391 -9.483 0.980 1.00 0.00 C ATOM 680 CG2 VAL A 68 -6.348 -11.702 -0.177 1.00 0.00 C ATOM 0 H VAL A 68 -7.509 -7.690 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.045 -10.133 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.257 -9.959 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.645 -9.864 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.244 -8.412 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.388 -9.664 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.608 -12.032 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.346 -11.959 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.164 -12.196 -1.131 1.00 0.00 H new ATOM 690 N SER A 69 -9.304 -9.489 -0.030 1.00 0.00 N ATOM 691 CA SER A 69 -10.638 -9.849 0.422 1.00 0.00 C ATOM 692 C SER A 69 -11.354 -8.631 0.995 1.00 0.00 C ATOM 693 O SER A 69 -10.825 -7.948 1.871 1.00 0.00 O ATOM 694 CB SER A 69 -10.547 -10.969 1.464 1.00 0.00 C ATOM 695 OG SER A 69 -9.377 -10.845 2.259 1.00 0.00 O ATOM 0 H SER A 69 -8.889 -8.701 0.467 1.00 0.00 H new ATOM 0 HA SER A 69 -11.217 -10.209 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.428 -10.944 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.546 -11.936 0.961 1.00 0.00 H new ATOM 0 HG SER A 69 -9.418 -10.012 2.773 1.00 0.00 H new ATOM 701 N ALA A 70 -12.569 -8.390 0.507 1.00 0.00 N ATOM 702 CA ALA A 70 -13.321 -7.181 0.835 1.00 0.00 C ATOM 703 C ALA A 70 -13.475 -6.992 2.342 1.00 0.00 C ATOM 704 O ALA A 70 -14.018 -7.854 3.030 1.00 0.00 O ATOM 705 CB ALA A 70 -14.691 -7.230 0.176 1.00 0.00 C ATOM 0 H ALA A 70 -13.058 -9.024 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.758 -6.329 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.247 -6.326 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.572 -7.297 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.237 -8.102 0.536 1.00 0.00 H new ATOM 711 N PRO A 71 -12.994 -5.851 2.863 1.00 0.00 N ATOM 712 CA PRO A 71 -13.132 -5.497 4.281 1.00 0.00 C ATOM 713 C PRO A 71 -14.588 -5.486 4.736 1.00 0.00 C ATOM 714 O PRO A 71 -15.485 -5.099 3.981 1.00 0.00 O ATOM 715 CB PRO A 71 -12.542 -4.087 4.358 1.00 0.00 C ATOM 716 CG PRO A 71 -11.609 -4.010 3.203 1.00 0.00 C ATOM 717 CD PRO A 71 -12.247 -4.824 2.115 1.00 0.00 C ATOM 0 HA PRO A 71 -12.634 -6.218 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.320 -3.327 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.020 -3.926 5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.462 -2.978 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.628 -4.406 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.906 -4.219 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.503 -5.268 1.454 1.00 0.00 H new ATOM 725 N SER A 72 -14.814 -5.901 5.974 1.00 0.00 N ATOM 726 CA SER A 72 -16.158 -5.990 6.519 1.00 0.00 C ATOM 727 C SER A 72 -16.506 -4.723 7.295 1.00 0.00 C ATOM 728 O SER A 72 -17.585 -4.616 7.885 1.00 0.00 O ATOM 729 CB SER A 72 -16.278 -7.222 7.422 1.00 0.00 C ATOM 730 OG SER A 72 -17.612 -7.414 7.863 1.00 0.00 O ATOM 0 H SER A 72 -14.078 -6.183 6.622 1.00 0.00 H new ATOM 0 HA SER A 72 -16.864 -6.090 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.942 -8.106 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.621 -7.108 8.284 1.00 0.00 H new ATOM 0 HG SER A 72 -18.035 -6.543 8.015 1.00 0.00 H new ATOM 736 N ALA A 73 -15.586 -3.771 7.298 1.00 0.00 N ATOM 737 CA ALA A 73 -15.809 -2.494 7.955 1.00 0.00 C ATOM 738 C ALA A 73 -16.541 -1.540 7.019 1.00 0.00 C ATOM 739 O ALA A 73 -16.164 -1.393 5.861 1.00 0.00 O ATOM 740 CB ALA A 73 -14.486 -1.898 8.405 1.00 0.00 C ATOM 0 H ALA A 73 -14.674 -3.860 6.850 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.431 -2.654 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.666 -0.942 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.999 -2.578 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.842 -1.746 7.539 1.00 0.00 H new ATOM 746 N GLU A 74 -17.596 -0.917 7.527 1.00 0.00 N ATOM 747 CA GLU A 74 -18.417 -0.007 6.736 1.00 0.00 C ATOM 748 C GLU A 74 -17.714 1.354 6.592 1.00 0.00 C ATOM 749 O GLU A 74 -17.126 1.850 7.555 1.00 0.00 O ATOM 750 CB GLU A 74 -19.784 0.156 7.416 1.00 0.00 C ATOM 751 CG GLU A 74 -20.915 0.553 6.476 1.00 0.00 C ATOM 752 CD GLU A 74 -21.190 -0.496 5.414 1.00 0.00 C ATOM 753 OE1 GLU A 74 -21.565 -1.632 5.771 1.00 0.00 O ATOM 754 OE2 GLU A 74 -21.042 -0.185 4.211 1.00 0.00 O ATOM 0 H GLU A 74 -17.906 -1.026 8.493 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.562 -0.418 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.047 -0.783 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.698 0.909 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.822 0.723 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.665 1.497 5.992 1.00 0.00 H new ATOM 761 N PRO A 75 -17.751 1.977 5.393 1.00 0.00 N ATOM 762 CA PRO A 75 -18.427 1.428 4.216 1.00 0.00 C ATOM 763 C PRO A 75 -17.754 0.164 3.689 1.00 0.00 C ATOM 764 O PRO A 75 -16.535 0.115 3.501 1.00 0.00 O ATOM 765 CB PRO A 75 -18.345 2.551 3.172 1.00 0.00 C ATOM 766 CG PRO A 75 -17.904 3.768 3.913 1.00 0.00 C ATOM 767 CD PRO A 75 -17.137 3.278 5.105 1.00 0.00 C ATOM 0 HA PRO A 75 -19.449 1.131 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.639 2.298 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.312 2.713 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.281 4.403 3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.760 4.368 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -16.074 3.181 4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.228 3.961 5.950 1.00 0.00 H new ATOM 775 N HIS A 76 -18.574 -0.851 3.465 1.00 0.00 N ATOM 776 CA HIS A 76 -18.121 -2.140 2.974 1.00 0.00 C ATOM 777 C HIS A 76 -17.768 -2.032 1.497 1.00 0.00 C ATOM 778 O HIS A 76 -18.550 -1.499 0.712 1.00 0.00 O ATOM 779 CB HIS A 76 -19.237 -3.170 3.171 1.00 0.00 C ATOM 780 CG HIS A 76 -18.784 -4.598 3.148 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.965 -5.451 4.213 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.186 -5.333 2.179 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.498 -6.646 3.901 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.020 -6.602 2.673 1.00 0.00 N ATOM 0 H HIS A 76 -19.581 -0.801 3.621 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.235 -2.454 3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.729 -2.975 4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.985 -3.028 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.894 -4.984 1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.506 -7.514 4.544 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.596 -7.383 2.172 1.00 0.00 H new ATOM 793 N ALA A 77 -16.593 -2.536 1.134 1.00 0.00 N ATOM 794 CA ALA A 77 -16.127 -2.493 -0.248 1.00 0.00 C ATOM 795 C ALA A 77 -17.108 -3.179 -1.192 1.00 0.00 C ATOM 796 O ALA A 77 -17.526 -4.316 -0.954 1.00 0.00 O ATOM 797 CB ALA A 77 -14.754 -3.137 -0.361 1.00 0.00 C ATOM 0 H ALA A 77 -15.943 -2.981 1.782 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.057 -1.446 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.418 -3.098 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.047 -2.599 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.812 -4.176 -0.037 1.00 0.00 H new ATOM 803 N ARG A 78 -17.489 -2.468 -2.243 1.00 0.00 N ATOM 804 CA ARG A 78 -18.387 -2.996 -3.259 1.00 0.00 C ATOM 805 C ARG A 78 -17.649 -3.122 -4.587 1.00 0.00 C ATOM 806 O ARG A 78 -16.532 -2.626 -4.718 1.00 0.00 O ATOM 807 CB ARG A 78 -19.621 -2.102 -3.417 1.00 0.00 C ATOM 808 CG ARG A 78 -20.313 -1.771 -2.102 1.00 0.00 C ATOM 809 CD ARG A 78 -20.631 -3.019 -1.292 1.00 0.00 C ATOM 810 NE ARG A 78 -21.578 -3.902 -1.971 1.00 0.00 N ATOM 811 CZ ARG A 78 -21.525 -5.231 -1.918 1.00 0.00 C ATOM 812 NH1 ARG A 78 -20.532 -5.836 -1.279 1.00 0.00 N ATOM 813 NH2 ARG A 78 -22.460 -5.955 -2.519 1.00 0.00 N ATOM 0 H ARG A 78 -17.185 -1.510 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.725 -3.983 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.325 -1.173 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.334 -2.596 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.676 -1.110 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.235 -1.227 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.708 -3.565 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.041 -2.726 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.324 -3.474 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -19.805 -5.282 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -20.496 -6.855 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.218 -5.493 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -22.421 -6.973 -2.479 1.00 0.00 H new ATOM 827 N ASN A 79 -18.266 -3.838 -5.534 1.00 0.00 N ATOM 828 CA ASN A 79 -17.710 -4.093 -6.878 1.00 0.00 C ATOM 829 C ASN A 79 -16.298 -4.674 -6.810 1.00 0.00 C ATOM 830 O ASN A 79 -15.476 -4.480 -7.708 1.00 0.00 O ATOM 831 CB ASN A 79 -17.763 -2.846 -7.799 1.00 0.00 C ATOM 832 CG ASN A 79 -16.809 -1.717 -7.429 1.00 0.00 C ATOM 833 OD1 ASN A 79 -15.645 -1.705 -7.836 1.00 0.00 O ATOM 834 ND2 ASN A 79 -17.308 -0.733 -6.698 1.00 0.00 N ATOM 0 H ASN A 79 -19.181 -4.266 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.356 -4.844 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.547 -3.161 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -18.780 -2.455 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.725 0.068 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -18.276 -0.775 -6.378 1.00 0.00 H new ATOM 841 N TYR A 80 -16.045 -5.432 -5.754 1.00 0.00 N ATOM 842 CA TYR A 80 -14.750 -6.057 -5.543 1.00 0.00 C ATOM 843 C TYR A 80 -14.619 -7.328 -6.380 1.00 0.00 C ATOM 844 O TYR A 80 -15.574 -8.095 -6.516 1.00 0.00 O ATOM 845 CB TYR A 80 -14.551 -6.377 -4.054 1.00 0.00 C ATOM 846 CG TYR A 80 -15.639 -7.246 -3.455 1.00 0.00 C ATOM 847 CD1 TYR A 80 -15.522 -8.630 -3.437 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.782 -6.682 -2.905 1.00 0.00 C ATOM 849 CE1 TYR A 80 -16.514 -9.424 -2.893 1.00 0.00 C ATOM 850 CE2 TYR A 80 -17.777 -7.469 -2.356 1.00 0.00 C ATOM 851 CZ TYR A 80 -17.638 -8.839 -2.354 1.00 0.00 C ATOM 852 OH TYR A 80 -18.628 -9.628 -1.809 1.00 0.00 O ATOM 0 H TYR A 80 -16.728 -5.630 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 80 -13.976 -5.358 -5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.591 -6.877 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.500 -5.442 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.641 -9.094 -3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.896 -5.608 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -16.408 -10.499 -2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.658 -7.012 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.351 -9.059 -1.471 1.00 0.00 H new ATOM 862 N PRO A 81 -13.441 -7.551 -6.975 1.00 0.00 N ATOM 863 CA PRO A 81 -13.162 -8.767 -7.735 1.00 0.00 C ATOM 864 C PRO A 81 -12.927 -9.965 -6.818 1.00 0.00 C ATOM 865 O PRO A 81 -12.302 -9.837 -5.762 1.00 0.00 O ATOM 866 CB PRO A 81 -11.885 -8.416 -8.500 1.00 0.00 C ATOM 867 CG PRO A 81 -11.203 -7.397 -7.656 1.00 0.00 C ATOM 868 CD PRO A 81 -12.293 -6.624 -6.963 1.00 0.00 C ATOM 0 HA PRO A 81 -13.992 -9.055 -8.380 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.256 -9.295 -8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.113 -8.021 -9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.542 -7.872 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.586 -6.737 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.008 -6.353 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.522 -5.696 -7.488 1.00 0.00 H new ATOM 876 N GLU A 82 -13.443 -11.123 -7.214 1.00 0.00 N ATOM 877 CA GLU A 82 -13.280 -12.341 -6.427 1.00 0.00 C ATOM 878 C GLU A 82 -11.810 -12.730 -6.360 1.00 0.00 C ATOM 879 O GLU A 82 -11.149 -12.876 -7.392 1.00 0.00 O ATOM 880 CB GLU A 82 -14.088 -13.499 -7.021 1.00 0.00 C ATOM 881 CG GLU A 82 -15.545 -13.168 -7.307 1.00 0.00 C ATOM 882 CD GLU A 82 -15.733 -12.489 -8.645 1.00 0.00 C ATOM 883 OE1 GLU A 82 -15.643 -13.178 -9.680 1.00 0.00 O ATOM 884 OE2 GLU A 82 -15.963 -11.264 -8.672 1.00 0.00 O ATOM 0 H GLU A 82 -13.977 -11.245 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.652 -12.140 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.612 -13.820 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.048 -14.344 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.134 -14.085 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.929 -12.521 -6.518 1.00 0.00 H new ATOM 891 N GLY A 83 -11.305 -12.887 -5.146 1.00 0.00 N ATOM 892 CA GLY A 83 -9.900 -13.184 -4.952 1.00 0.00 C ATOM 893 C GLY A 83 -9.067 -11.922 -4.926 1.00 0.00 C ATOM 894 O GLY A 83 -7.841 -11.980 -4.836 1.00 0.00 O ATOM 0 H GLY A 83 -11.847 -12.813 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.768 -13.728 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.551 -13.836 -5.753 1.00 0.00 H new ATOM 898 N GLY A 84 -9.743 -10.781 -5.014 1.00 0.00 N ATOM 899 CA GLY A 84 -9.067 -9.503 -5.008 1.00 0.00 C ATOM 900 C GLY A 84 -8.289 -9.257 -6.283 1.00 0.00 C ATOM 901 O GLY A 84 -8.525 -9.909 -7.304 1.00 0.00 O ATOM 0 H GLY A 84 -10.758 -10.723 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.800 -8.708 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.388 -9.458 -4.157 1.00 0.00 H new ATOM 905 N TYR A 85 -7.360 -8.318 -6.229 1.00 0.00 N ATOM 906 CA TYR A 85 -6.496 -8.029 -7.360 1.00 0.00 C ATOM 907 C TYR A 85 -5.278 -8.939 -7.304 1.00 0.00 C ATOM 908 O TYR A 85 -4.626 -9.201 -8.313 1.00 0.00 O ATOM 909 CB TYR A 85 -6.079 -6.557 -7.353 1.00 0.00 C ATOM 910 CG TYR A 85 -7.253 -5.601 -7.404 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.996 -5.449 -8.567 1.00 0.00 C ATOM 912 CD2 TYR A 85 -7.621 -4.860 -6.289 1.00 0.00 C ATOM 913 CE1 TYR A 85 -9.075 -4.586 -8.618 1.00 0.00 C ATOM 914 CE2 TYR A 85 -8.698 -3.994 -6.331 1.00 0.00 C ATOM 915 CZ TYR A 85 -9.421 -3.861 -7.497 1.00 0.00 C ATOM 916 OH TYR A 85 -10.500 -3.005 -7.543 1.00 0.00 O ATOM 0 H TYR A 85 -7.184 -7.739 -5.408 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.037 -8.216 -8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.495 -6.356 -6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.428 -6.367 -8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.727 -6.014 -9.447 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.057 -4.962 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.643 -4.480 -9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.971 -3.425 -5.455 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.611 -2.571 -6.671 1.00 0.00 H new ATOM 926 N ILE A 86 -4.996 -9.424 -6.106 1.00 0.00 N ATOM 927 CA ILE A 86 -3.951 -10.405 -5.891 1.00 0.00 C ATOM 928 C ILE A 86 -4.445 -11.435 -4.878 1.00 0.00 C ATOM 929 O ILE A 86 -5.033 -11.086 -3.857 1.00 0.00 O ATOM 930 CB ILE A 86 -2.629 -9.752 -5.414 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.572 -10.826 -5.133 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.858 -8.878 -4.190 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.247 -10.271 -4.653 1.00 0.00 C ATOM 0 H ILE A 86 -5.487 -9.147 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.730 -10.894 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.260 -9.109 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.959 -11.516 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.405 -11.404 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.913 -8.433 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.568 -8.088 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.258 -9.486 -3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.448 -11.091 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.164 -9.604 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.399 -9.717 -3.726 1.00 0.00 H new ATOM 945 N ARG A 87 -4.221 -12.704 -5.197 1.00 0.00 N ATOM 946 CA ARG A 87 -4.820 -13.818 -4.466 1.00 0.00 C ATOM 947 C ARG A 87 -4.409 -13.844 -2.996 1.00 0.00 C ATOM 948 O ARG A 87 -5.160 -14.323 -2.146 1.00 0.00 O ATOM 949 CB ARG A 87 -4.438 -15.137 -5.137 1.00 0.00 C ATOM 950 CG ARG A 87 -4.985 -16.365 -4.433 1.00 0.00 C ATOM 951 CD ARG A 87 -4.595 -17.646 -5.150 1.00 0.00 C ATOM 952 NE ARG A 87 -3.143 -17.799 -5.273 1.00 0.00 N ATOM 953 CZ ARG A 87 -2.546 -18.930 -5.649 1.00 0.00 C ATOM 954 NH1 ARG A 87 -3.273 -20.013 -5.906 1.00 0.00 N ATOM 955 NH2 ARG A 87 -1.225 -18.977 -5.773 1.00 0.00 N ATOM 0 H ARG A 87 -3.620 -12.992 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.901 -13.681 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.799 -15.128 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.351 -15.209 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.612 -16.393 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.071 -16.297 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.003 -18.500 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.044 -17.654 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.555 -16.994 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.288 -19.979 -5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.815 -20.878 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.665 -18.147 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.770 -19.843 -6.061 1.00 0.00 H new ATOM 969 N ARG A 88 -3.223 -13.343 -2.702 1.00 0.00 N ATOM 970 CA ARG A 88 -2.714 -13.349 -1.340 1.00 0.00 C ATOM 971 C ARG A 88 -2.134 -11.989 -0.992 1.00 0.00 C ATOM 972 O ARG A 88 -1.820 -11.197 -1.880 1.00 0.00 O ATOM 973 CB ARG A 88 -1.639 -14.429 -1.175 1.00 0.00 C ATOM 974 CG ARG A 88 -2.152 -15.845 -1.380 1.00 0.00 C ATOM 975 CD ARG A 88 -1.030 -16.864 -1.301 1.00 0.00 C ATOM 976 NE ARG A 88 -1.512 -18.227 -1.527 1.00 0.00 N ATOM 977 CZ ARG A 88 -0.827 -19.162 -2.187 1.00 0.00 C ATOM 978 NH1 ARG A 88 0.367 -18.883 -2.692 1.00 0.00 N ATOM 979 NH2 ARG A 88 -1.341 -20.374 -2.342 1.00 0.00 N ATOM 0 H ARG A 88 -2.593 -12.926 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.540 -13.569 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.834 -14.238 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.209 -14.350 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.904 -16.073 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.642 -15.918 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.267 -16.622 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.555 -16.805 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.429 -18.478 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.765 -17.951 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.888 -19.601 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.260 -20.591 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.817 -21.089 -2.847 1.00 0.00 H new ATOM 993 N LEU A 89 -2.011 -11.722 0.302 1.00 0.00 N ATOM 994 CA LEU A 89 -1.392 -10.496 0.782 1.00 0.00 C ATOM 995 C LEU A 89 0.036 -10.381 0.266 1.00 0.00 C ATOM 996 O LEU A 89 0.861 -11.268 0.500 1.00 0.00 O ATOM 997 CB LEU A 89 -1.391 -10.468 2.310 1.00 0.00 C ATOM 998 CG LEU A 89 -2.761 -10.274 2.957 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.698 -10.600 4.439 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.232 -8.844 2.755 1.00 0.00 C ATOM 0 H LEU A 89 -2.335 -12.345 1.042 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.971 -9.651 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.964 -11.402 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.733 -9.665 2.642 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.471 -10.952 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.682 -10.457 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.387 -11.636 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.979 -9.941 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.210 -8.714 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.519 -8.158 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.306 -8.633 1.688 1.00 0.00 H new ATOM 1012 N PRO A 90 0.341 -9.291 -0.451 1.00 0.00 N ATOM 1013 CA PRO A 90 1.672 -9.067 -1.007 1.00 0.00 C ATOM 1014 C PRO A 90 2.709 -8.829 0.082 1.00 0.00 C ATOM 1015 O PRO A 90 2.395 -8.303 1.155 1.00 0.00 O ATOM 1016 CB PRO A 90 1.499 -7.819 -1.875 1.00 0.00 C ATOM 1017 CG PRO A 90 0.316 -7.115 -1.308 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.588 -8.192 -0.771 1.00 0.00 C ATOM 0 HA PRO A 90 2.035 -9.930 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.387 -7.188 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.337 -8.084 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.614 -6.425 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.190 -6.525 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.132 -7.856 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.332 -8.496 -1.507 1.00 0.00 H new ATOM 1026 N GLN A 91 3.938 -9.227 -0.194 1.00 0.00 N ATOM 1027 CA GLN A 91 5.034 -9.066 0.746 1.00 0.00 C ATOM 1028 C GLN A 91 6.296 -8.669 0.001 1.00 0.00 C ATOM 1029 O GLN A 91 6.557 -9.164 -1.095 1.00 0.00 O ATOM 1030 CB GLN A 91 5.278 -10.368 1.511 1.00 0.00 C ATOM 1031 CG GLN A 91 4.163 -10.742 2.474 1.00 0.00 C ATOM 1032 CD GLN A 91 4.440 -12.044 3.194 1.00 0.00 C ATOM 1033 OE1 GLN A 91 5.594 -12.402 3.432 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.388 -12.764 3.541 1.00 0.00 N ATOM 0 H GLN A 91 4.205 -9.670 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 91 4.770 -8.284 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.411 -11.178 0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.210 -10.280 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.035 -9.944 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.225 -10.825 1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.448 -12.431 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.515 -13.653 4.025 1.00 0.00 H new ATOM 1043 N ASP A 92 7.066 -7.769 0.591 1.00 0.00 N ATOM 1044 CA ASP A 92 8.334 -7.349 0.009 1.00 0.00 C ATOM 1045 C ASP A 92 9.293 -8.533 -0.042 1.00 0.00 C ATOM 1046 O ASP A 92 9.170 -9.476 0.739 1.00 0.00 O ATOM 1047 CB ASP A 92 8.946 -6.193 0.809 1.00 0.00 C ATOM 1048 CG ASP A 92 9.086 -6.495 2.285 1.00 0.00 C ATOM 1049 OD1 ASP A 92 9.953 -7.320 2.658 1.00 0.00 O ATOM 1050 OD2 ASP A 92 8.334 -5.898 3.077 1.00 0.00 O ATOM 0 H ASP A 92 6.836 -7.314 1.474 1.00 0.00 H new ATOM 0 HA ASP A 92 8.154 -6.994 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.928 -5.956 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.326 -5.305 0.684 1.00 0.00 H new ATOM 1055 N PRO A 93 10.239 -8.509 -1.001 1.00 0.00 N ATOM 1056 CA PRO A 93 11.179 -9.616 -1.254 1.00 0.00 C ATOM 1057 C PRO A 93 12.000 -10.021 -0.029 1.00 0.00 C ATOM 1058 O PRO A 93 12.615 -11.090 -0.022 1.00 0.00 O ATOM 1059 CB PRO A 93 12.097 -9.072 -2.357 1.00 0.00 C ATOM 1060 CG PRO A 93 11.894 -7.598 -2.342 1.00 0.00 C ATOM 1061 CD PRO A 93 10.468 -7.396 -1.934 1.00 0.00 C ATOM 0 HA PRO A 93 10.642 -10.524 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.139 -9.328 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.839 -9.495 -3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.575 -7.115 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.087 -7.165 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.317 -6.428 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.792 -7.438 -2.788 1.00 0.00 H new ATOM 1069 N TRP A 94 12.028 -9.170 0.991 1.00 0.00 N ATOM 1070 CA TRP A 94 12.728 -9.494 2.227 1.00 0.00 C ATOM 1071 C TRP A 94 11.877 -10.428 3.080 1.00 0.00 C ATOM 1072 O TRP A 94 12.399 -11.211 3.875 1.00 0.00 O ATOM 1073 CB TRP A 94 13.071 -8.221 3.008 1.00 0.00 C ATOM 1074 CG TRP A 94 13.996 -7.302 2.268 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.344 -7.443 2.124 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.642 -6.097 1.579 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.850 -6.407 1.377 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.824 -5.566 1.032 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.440 -5.419 1.370 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.839 -4.390 0.289 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.454 -4.251 0.633 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.647 -3.747 0.099 1.00 0.00 C ATOM 0 H TRP A 94 11.576 -8.255 0.986 1.00 0.00 H new ATOM 0 HA TRP A 94 13.661 -9.998 1.974 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.150 -7.687 3.242 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.528 -8.498 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.929 -8.251 2.537 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.830 -6.284 1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.516 -5.801 1.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.758 -3.999 -0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.530 -3.717 0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.625 -2.832 -0.474 1.00 0.00 H new ATOM 1093 N GLY A 95 10.566 -10.355 2.889 1.00 0.00 N ATOM 1094 CA GLY A 95 9.657 -11.238 3.591 1.00 0.00 C ATOM 1095 C GLY A 95 8.827 -10.513 4.629 1.00 0.00 C ATOM 1096 O GLY A 95 8.280 -11.139 5.538 1.00 0.00 O ATOM 0 H GLY A 95 10.114 -9.695 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.994 -11.718 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.228 -12.030 4.076 1.00 0.00 H new ATOM 1100 N SER A 96 8.724 -9.200 4.498 1.00 0.00 N ATOM 1101 CA SER A 96 7.983 -8.402 5.459 1.00 0.00 C ATOM 1102 C SER A 96 6.557 -8.154 4.965 1.00 0.00 C ATOM 1103 O SER A 96 6.297 -8.135 3.759 1.00 0.00 O ATOM 1104 CB SER A 96 8.709 -7.074 5.687 1.00 0.00 C ATOM 1105 OG SER A 96 10.106 -7.224 5.495 1.00 0.00 O ATOM 0 H SER A 96 9.144 -8.666 3.737 1.00 0.00 H new ATOM 0 HA SER A 96 7.924 -8.944 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.322 -6.320 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.513 -6.716 6.698 1.00 0.00 H new ATOM 0 HG SER A 96 10.302 -7.267 4.536 1.00 0.00 H new ATOM 1111 N ASP A 97 5.633 -7.986 5.901 1.00 0.00 N ATOM 1112 CA ASP A 97 4.238 -7.714 5.573 1.00 0.00 C ATOM 1113 C ASP A 97 4.035 -6.217 5.406 1.00 0.00 C ATOM 1114 O ASP A 97 4.322 -5.448 6.321 1.00 0.00 O ATOM 1115 CB ASP A 97 3.309 -8.231 6.676 1.00 0.00 C ATOM 1116 CG ASP A 97 3.393 -9.731 6.875 1.00 0.00 C ATOM 1117 OD1 ASP A 97 2.588 -10.462 6.264 1.00 0.00 O ATOM 1118 OD2 ASP A 97 4.254 -10.188 7.657 1.00 0.00 O ATOM 0 H ASP A 97 5.826 -8.034 6.902 1.00 0.00 H new ATOM 0 HA ASP A 97 3.997 -8.228 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.556 -7.733 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.282 -7.961 6.433 1.00 0.00 H new ATOM 1123 N TYR A 98 3.549 -5.811 4.236 1.00 0.00 N ATOM 1124 CA TYR A 98 3.307 -4.399 3.951 1.00 0.00 C ATOM 1125 C TYR A 98 2.409 -3.770 5.003 1.00 0.00 C ATOM 1126 O TYR A 98 1.458 -4.390 5.478 1.00 0.00 O ATOM 1127 CB TYR A 98 2.682 -4.220 2.568 1.00 0.00 C ATOM 1128 CG TYR A 98 3.667 -4.382 1.435 1.00 0.00 C ATOM 1129 CD1 TYR A 98 4.523 -3.347 1.082 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.743 -5.566 0.721 1.00 0.00 C ATOM 1131 CE1 TYR A 98 5.427 -3.491 0.048 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.644 -5.718 -0.313 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.482 -4.681 -0.646 1.00 0.00 C ATOM 1134 OH TYR A 98 6.383 -4.837 -1.670 1.00 0.00 O ATOM 0 H TYR A 98 3.315 -6.441 3.469 1.00 0.00 H new ATOM 0 HA TYR A 98 4.273 -3.895 3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.877 -4.945 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.231 -3.230 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.481 -2.414 1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.086 -6.384 0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.086 -2.677 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.690 -6.649 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 98 6.291 -5.734 -2.053 1.00 0.00 H new ATOM 1144 N GLN A 99 2.720 -2.541 5.366 1.00 0.00 N ATOM 1145 CA GLN A 99 1.968 -1.842 6.388 1.00 0.00 C ATOM 1146 C GLN A 99 1.227 -0.655 5.795 1.00 0.00 C ATOM 1147 O GLN A 99 1.761 0.067 4.952 1.00 0.00 O ATOM 1148 CB GLN A 99 2.901 -1.374 7.506 1.00 0.00 C ATOM 1149 CG GLN A 99 3.614 -2.514 8.216 1.00 0.00 C ATOM 1150 CD GLN A 99 2.655 -3.450 8.925 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.595 -3.037 9.399 1.00 0.00 O ATOM 1152 NE2 GLN A 99 3.010 -4.723 8.990 1.00 0.00 N ATOM 0 H GLN A 99 3.491 -2.005 4.967 1.00 0.00 H new ATOM 0 HA GLN A 99 1.235 -2.533 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.644 -0.695 7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.325 -0.806 8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.198 -3.080 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.317 -2.103 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.896 -5.027 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.398 -5.401 9.444 1.00 0.00 H new ATOM 1161 N LEU A 100 -0.011 -0.482 6.225 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.806 0.672 5.850 1.00 0.00 C ATOM 1163 C LEU A 100 -1.155 1.433 7.118 1.00 0.00 C ATOM 1164 O LEU A 100 -1.752 0.873 8.036 1.00 0.00 O ATOM 1165 CB LEU A 100 -2.072 0.215 5.099 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.964 1.318 4.495 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -3.947 1.865 5.519 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.120 2.447 3.935 1.00 0.00 C ATOM 0 H LEU A 100 -0.491 -1.137 6.842 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.249 1.326 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.766 -0.452 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.680 -0.374 5.786 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.534 0.865 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.559 2.640 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.589 1.059 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.398 2.288 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.771 3.214 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.517 2.881 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.465 2.059 3.155 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.773 2.695 7.182 1.00 0.00 N ATOM 1181 CA LEU A 101 -0.977 3.467 8.394 1.00 0.00 C ATOM 1182 C LEU A 101 -1.808 4.710 8.112 1.00 0.00 C ATOM 1183 O LEU A 101 -1.397 5.584 7.352 1.00 0.00 O ATOM 1184 CB LEU A 101 0.384 3.842 9.006 1.00 0.00 C ATOM 1185 CG LEU A 101 0.389 4.200 10.503 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.218 5.571 10.751 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.351 3.142 11.308 1.00 0.00 C ATOM 0 H LEU A 101 -0.325 3.203 6.419 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.528 2.858 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.068 3.008 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.785 4.690 8.451 1.00 0.00 H new ATOM 0 HG LEU A 101 1.428 4.230 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.198 5.790 11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.357 6.326 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.249 5.582 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.337 3.412 12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.383 3.079 10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.136 2.176 11.174 1.00 0.00 H new ATOM 1199 N SER A 102 -3.003 4.739 8.679 1.00 0.00 N ATOM 1200 CA SER A 102 -3.835 5.929 8.694 1.00 0.00 C ATOM 1201 C SER A 102 -3.842 6.540 10.099 1.00 0.00 C ATOM 1202 O SER A 102 -4.055 5.820 11.079 1.00 0.00 O ATOM 1203 CB SER A 102 -5.254 5.563 8.253 1.00 0.00 C ATOM 1204 OG SER A 102 -5.676 4.352 8.866 1.00 0.00 O ATOM 0 H SER A 102 -3.424 3.934 9.143 1.00 0.00 H new ATOM 0 HA SER A 102 -3.433 6.668 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.940 6.368 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.287 5.458 7.169 1.00 0.00 H new ATOM 0 HG SER A 102 -5.345 4.320 9.788 1.00 0.00 H new ATOM 1210 N PRO A 103 -3.599 7.857 10.246 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.281 8.769 9.142 1.00 0.00 C ATOM 1212 C PRO A 103 -1.876 8.540 8.602 1.00 0.00 C ATOM 1213 O PRO A 103 -0.935 8.314 9.365 1.00 0.00 O ATOM 1214 CB PRO A 103 -3.372 10.167 9.779 1.00 0.00 C ATOM 1215 CG PRO A 103 -3.995 9.959 11.118 1.00 0.00 C ATOM 1216 CD PRO A 103 -3.623 8.568 11.528 1.00 0.00 C ATOM 0 HA PRO A 103 -3.954 8.627 8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.385 10.620 9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.974 10.838 9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.628 10.690 11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.078 10.076 11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.655 8.537 12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.351 8.139 12.217 1.00 0.00 H new ATOM 1224 N GLY A 104 -1.747 8.610 7.288 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.486 8.333 6.638 1.00 0.00 C ATOM 1226 C GLY A 104 0.625 9.262 7.066 1.00 0.00 C ATOM 1227 O GLY A 104 0.404 10.450 7.300 1.00 0.00 O ATOM 0 H GLY A 104 -2.505 8.857 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.193 7.305 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.618 8.409 5.559 1.00 0.00 H new ATOM 1231 N GLN A 105 1.826 8.711 7.158 1.00 0.00 N ATOM 1232 CA GLN A 105 3.002 9.475 7.542 1.00 0.00 C ATOM 1233 C GLN A 105 3.234 10.637 6.580 1.00 0.00 C ATOM 1234 O GLN A 105 3.660 11.716 6.989 1.00 0.00 O ATOM 1235 CB GLN A 105 4.230 8.557 7.570 1.00 0.00 C ATOM 1236 CG GLN A 105 5.534 9.262 7.927 1.00 0.00 C ATOM 1237 CD GLN A 105 5.520 9.851 9.322 1.00 0.00 C ATOM 1238 OE1 GLN A 105 5.895 9.191 10.291 1.00 0.00 O ATOM 1239 NE2 GLN A 105 5.090 11.096 9.435 1.00 0.00 N ATOM 0 H GLN A 105 2.012 7.726 6.969 1.00 0.00 H new ATOM 0 HA GLN A 105 2.838 9.887 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.055 7.757 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.340 8.088 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.359 8.554 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.722 10.056 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.788 11.608 8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.060 11.544 10.351 1.00 0.00 H new ATOM 1248 N HIS A 106 2.950 10.413 5.303 1.00 0.00 N ATOM 1249 CA HIS A 106 3.185 11.430 4.287 1.00 0.00 C ATOM 1250 C HIS A 106 1.888 11.830 3.580 1.00 0.00 C ATOM 1251 O HIS A 106 1.921 12.361 2.470 1.00 0.00 O ATOM 1252 CB HIS A 106 4.206 10.926 3.258 1.00 0.00 C ATOM 1253 CG HIS A 106 5.478 10.411 3.864 1.00 0.00 C ATOM 1254 ND1 HIS A 106 6.536 11.226 4.206 1.00 0.00 N ATOM 1255 CD2 HIS A 106 5.857 9.152 4.191 1.00 0.00 C ATOM 1256 CE1 HIS A 106 7.508 10.492 4.716 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.121 9.232 4.718 1.00 0.00 N ATOM 0 H HIS A 106 2.559 9.541 4.948 1.00 0.00 H new ATOM 0 HA HIS A 106 3.581 12.313 4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.749 10.132 2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.445 11.738 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.273 8.253 4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.459 10.861 5.071 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.672 8.444 5.057 1.00 0.00 H new ATOM 1266 N GLY A 107 0.749 11.591 4.224 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.526 11.936 3.612 1.00 0.00 C ATOM 1268 C GLY A 107 -1.713 11.357 4.359 1.00 0.00 C ATOM 1269 O GLY A 107 -1.673 11.214 5.580 1.00 0.00 O ATOM 0 H GLY A 107 0.684 11.169 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.622 13.021 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.539 11.576 2.583 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.774 11.030 3.628 1.00 0.00 N ATOM 1274 CA GLN A 108 -3.971 10.443 4.225 1.00 0.00 C ATOM 1275 C GLN A 108 -3.698 9.021 4.686 1.00 0.00 C ATOM 1276 O GLN A 108 -4.063 8.635 5.796 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.128 10.452 3.223 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.015 11.682 3.322 1.00 0.00 C ATOM 1279 CD GLN A 108 -7.106 11.547 4.375 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -8.170 12.155 4.263 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.866 10.736 5.394 1.00 0.00 N ATOM 0 H GLN A 108 -2.830 11.162 2.618 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.248 11.045 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.722 10.388 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.738 9.562 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -5.398 12.550 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.475 11.870 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.973 10.247 5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.574 10.601 6.116 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.044 8.258 3.831 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.673 6.886 4.133 1.00 0.00 C ATOM 1292 C VAL A 109 -1.257 6.626 3.651 1.00 0.00 C ATOM 1293 O VAL A 109 -0.818 7.208 2.658 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.634 5.866 3.481 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -4.930 5.760 4.266 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.916 6.243 2.032 1.00 0.00 C ATOM 0 H VAL A 109 -2.754 8.572 2.905 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.736 6.757 5.213 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.149 4.890 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.588 5.036 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.713 5.435 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.420 6.733 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.594 5.512 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.374 7.231 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.982 6.255 1.471 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.530 5.782 4.360 1.00 0.00 N ATOM 1307 CA ASP A 110 0.851 5.513 3.998 1.00 0.00 C ATOM 1308 C ASP A 110 1.097 4.023 3.867 1.00 0.00 C ATOM 1309 O ASP A 110 0.875 3.263 4.810 1.00 0.00 O ATOM 1310 CB ASP A 110 1.797 6.105 5.039 1.00 0.00 C ATOM 1311 CG ASP A 110 3.065 6.644 4.418 1.00 0.00 C ATOM 1312 OD1 ASP A 110 4.010 5.865 4.203 1.00 0.00 O ATOM 1313 OD2 ASP A 110 3.113 7.864 4.146 1.00 0.00 O ATOM 0 H ASP A 110 -0.866 5.276 5.180 1.00 0.00 H new ATOM 0 HA ASP A 110 1.043 5.981 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.288 6.906 5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.051 5.340 5.773 1.00 0.00 H new ATOM 1318 N ILE A 111 1.537 3.612 2.687 1.00 0.00 N ATOM 1319 CA ILE A 111 1.879 2.222 2.431 1.00 0.00 C ATOM 1320 C ILE A 111 3.389 2.065 2.351 1.00 0.00 C ATOM 1321 O ILE A 111 4.052 2.763 1.579 1.00 0.00 O ATOM 1322 CB ILE A 111 1.248 1.708 1.113 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.410 2.748 -0.003 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.218 1.358 1.313 1.00 0.00 C ATOM 1325 CD1 ILE A 111 0.842 2.312 -1.335 1.00 0.00 C ATOM 0 H ILE A 111 1.666 4.229 1.885 1.00 0.00 H new ATOM 0 HA ILE A 111 1.481 1.631 3.256 1.00 0.00 H new ATOM 0 HB ILE A 111 1.773 0.800 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.923 3.674 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.470 2.971 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.638 1.000 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.306 0.579 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.762 2.244 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.995 3.101 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.346 1.404 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.225 2.117 -1.229 1.00 0.00 H new ATOM 1337 N PHE A 112 3.931 1.165 3.155 1.00 0.00 N ATOM 1338 CA PHE A 112 5.366 0.943 3.181 1.00 0.00 C ATOM 1339 C PHE A 112 5.705 -0.486 3.581 1.00 0.00 C ATOM 1340 O PHE A 112 4.903 -1.178 4.213 1.00 0.00 O ATOM 1341 CB PHE A 112 6.046 1.939 4.132 1.00 0.00 C ATOM 1342 CG PHE A 112 5.495 1.941 5.533 1.00 0.00 C ATOM 1343 CD1 PHE A 112 6.045 1.130 6.512 1.00 0.00 C ATOM 1344 CD2 PHE A 112 4.432 2.765 5.872 1.00 0.00 C ATOM 1345 CE1 PHE A 112 5.547 1.139 7.801 1.00 0.00 C ATOM 1346 CE2 PHE A 112 3.928 2.777 7.159 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.487 1.963 8.125 1.00 0.00 C ATOM 0 H PHE A 112 3.399 0.577 3.797 1.00 0.00 H new ATOM 0 HA PHE A 112 5.743 1.104 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.111 1.712 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.950 2.942 3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.873 0.483 6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.993 3.405 5.121 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.986 0.502 8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.098 3.422 7.409 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.096 1.971 9.132 1.00 0.00 H new ATOM 1357 N SER A 113 6.886 -0.921 3.181 1.00 0.00 N ATOM 1358 CA SER A 113 7.432 -2.196 3.605 1.00 0.00 C ATOM 1359 C SER A 113 8.431 -1.949 4.724 1.00 0.00 C ATOM 1360 O SER A 113 8.996 -0.861 4.819 1.00 0.00 O ATOM 1361 CB SER A 113 8.114 -2.888 2.423 1.00 0.00 C ATOM 1362 OG SER A 113 9.098 -2.049 1.837 1.00 0.00 O ATOM 0 H SER A 113 7.495 -0.398 2.551 1.00 0.00 H new ATOM 0 HA SER A 113 6.633 -2.844 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.576 -3.816 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.368 -3.156 1.675 1.00 0.00 H new ATOM 0 HG SER A 113 8.665 -1.262 1.444 1.00 0.00 H new ATOM 1368 N LEU A 114 8.648 -2.952 5.567 1.00 0.00 N ATOM 1369 CA LEU A 114 9.530 -2.800 6.721 1.00 0.00 C ATOM 1370 C LEU A 114 10.981 -2.685 6.285 1.00 0.00 C ATOM 1371 O LEU A 114 11.840 -2.251 7.058 1.00 0.00 O ATOM 1372 CB LEU A 114 9.385 -3.974 7.696 1.00 0.00 C ATOM 1373 CG LEU A 114 8.081 -4.032 8.506 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.812 -2.706 9.194 1.00 0.00 C ATOM 1375 CD2 LEU A 114 6.902 -4.423 7.631 1.00 0.00 C ATOM 0 H LEU A 114 8.228 -3.877 5.475 1.00 0.00 H new ATOM 0 HA LEU A 114 9.234 -1.883 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 114 9.477 -4.901 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.221 -3.943 8.395 1.00 0.00 H new ATOM 0 HG LEU A 114 8.204 -4.800 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.883 -2.772 9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.635 -2.474 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.725 -1.919 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.995 -4.455 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.781 -3.689 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.082 -5.406 7.195 1.00 0.00 H new ATOM 1387 N GLY A 115 11.240 -3.101 5.047 1.00 0.00 N ATOM 1388 CA GLY A 115 12.567 -2.998 4.488 1.00 0.00 C ATOM 1389 C GLY A 115 13.497 -4.072 5.007 1.00 0.00 C ATOM 1390 O GLY A 115 13.066 -4.991 5.706 1.00 0.00 O ATOM 0 H GLY A 115 10.545 -3.509 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.507 -3.067 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.982 -2.018 4.723 1.00 0.00 H new ATOM 1394 N PRO A 116 14.790 -3.975 4.684 1.00 0.00 N ATOM 1395 CA PRO A 116 15.796 -4.954 5.103 1.00 0.00 C ATOM 1396 C PRO A 116 16.057 -4.908 6.605 1.00 0.00 C ATOM 1397 O PRO A 116 16.519 -5.883 7.199 1.00 0.00 O ATOM 1398 CB PRO A 116 17.062 -4.539 4.338 1.00 0.00 C ATOM 1399 CG PRO A 116 16.617 -3.535 3.324 1.00 0.00 C ATOM 1400 CD PRO A 116 15.376 -2.900 3.878 1.00 0.00 C ATOM 0 HA PRO A 116 15.472 -5.973 4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.803 -4.111 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.528 -5.399 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.392 -2.788 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.415 -4.013 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.606 -2.022 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.701 -2.574 3.087 1.00 0.00 H new ATOM 1408 N ASP A 117 15.741 -3.777 7.219 1.00 0.00 N ATOM 1409 CA ASP A 117 16.070 -3.561 8.623 1.00 0.00 C ATOM 1410 C ASP A 117 14.893 -3.923 9.533 1.00 0.00 C ATOM 1411 O ASP A 117 15.057 -4.111 10.738 1.00 0.00 O ATOM 1412 CB ASP A 117 16.491 -2.098 8.815 1.00 0.00 C ATOM 1413 CG ASP A 117 15.807 -1.431 9.985 1.00 0.00 C ATOM 1414 OD1 ASP A 117 16.455 -1.287 11.053 1.00 0.00 O ATOM 1415 OD2 ASP A 117 14.623 -1.063 9.846 1.00 0.00 O ATOM 0 H ASP A 117 15.260 -2.997 6.771 1.00 0.00 H new ATOM 0 HA ASP A 117 16.897 -4.214 8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 117 17.570 -2.053 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.268 -1.540 7.906 1.00 0.00 H new ATOM 1420 N GLY A 118 13.717 -4.061 8.939 1.00 0.00 N ATOM 1421 CA GLY A 118 12.564 -4.576 9.656 1.00 0.00 C ATOM 1422 C GLY A 118 11.882 -3.598 10.615 1.00 0.00 C ATOM 1423 O GLY A 118 10.837 -3.934 11.171 1.00 0.00 O ATOM 0 H GLY A 118 13.538 -3.823 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.827 -4.913 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.875 -5.453 10.223 1.00 0.00 H new ATOM 1427 N VAL A 119 12.428 -2.400 10.825 1.00 0.00 N ATOM 1428 CA VAL A 119 11.756 -1.440 11.702 1.00 0.00 C ATOM 1429 C VAL A 119 10.932 -0.443 10.882 1.00 0.00 C ATOM 1430 O VAL A 119 11.423 0.140 9.907 1.00 0.00 O ATOM 1431 CB VAL A 119 12.737 -0.702 12.662 1.00 0.00 C ATOM 1432 CG1 VAL A 119 13.462 0.454 11.991 1.00 0.00 C ATOM 1433 CG2 VAL A 119 12.006 -0.214 13.902 1.00 0.00 C ATOM 0 H VAL A 119 13.305 -2.078 10.415 1.00 0.00 H new ATOM 0 HA VAL A 119 11.082 -2.014 12.337 1.00 0.00 H new ATOM 0 HB VAL A 119 13.496 -1.429 12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.131 0.929 12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 119 14.042 0.079 11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.734 1.183 11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 119 12.708 0.299 14.560 1.00 0.00 H new ATOM 0 HG22 VAL A 119 11.213 0.475 13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 119 11.572 -1.065 14.427 1.00 0.00 H new ATOM 1443 N PRO A 120 9.641 -0.278 11.249 1.00 0.00 N ATOM 1444 CA PRO A 120 8.721 0.608 10.533 1.00 0.00 C ATOM 1445 C PRO A 120 8.994 2.089 10.776 1.00 0.00 C ATOM 1446 O PRO A 120 9.641 2.463 11.763 1.00 0.00 O ATOM 1447 CB PRO A 120 7.347 0.224 11.090 1.00 0.00 C ATOM 1448 CG PRO A 120 7.621 -0.327 12.445 1.00 0.00 C ATOM 1449 CD PRO A 120 8.981 -0.967 12.375 1.00 0.00 C ATOM 0 HA PRO A 120 8.817 0.485 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.686 1.089 11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.856 -0.514 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 120 7.601 0.462 13.197 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.862 -1.056 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.534 -0.833 13.305 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.909 -2.040 12.199 1.00 0.00 H new ATOM 1457 N GLU A 121 8.491 2.916 9.854 1.00 0.00 N ATOM 1458 CA GLU A 121 8.595 4.378 9.933 1.00 0.00 C ATOM 1459 C GLU A 121 10.033 4.843 9.727 1.00 0.00 C ATOM 1460 O GLU A 121 10.379 5.989 10.023 1.00 0.00 O ATOM 1461 CB GLU A 121 8.068 4.900 11.272 1.00 0.00 C ATOM 1462 CG GLU A 121 6.607 4.577 11.530 1.00 0.00 C ATOM 1463 CD GLU A 121 6.169 4.988 12.918 1.00 0.00 C ATOM 1464 OE1 GLU A 121 5.537 6.058 13.058 1.00 0.00 O ATOM 1465 OE2 GLU A 121 6.472 4.249 13.881 1.00 0.00 O ATOM 0 H GLU A 121 7.996 2.588 9.025 1.00 0.00 H new ATOM 0 HA GLU A 121 7.979 4.787 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.670 4.478 12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.202 5.981 11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.988 5.084 10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.445 3.507 11.401 1.00 0.00 H new ATOM 1472 N SER A 122 10.860 3.959 9.205 1.00 0.00 N ATOM 1473 CA SER A 122 12.257 4.254 8.975 1.00 0.00 C ATOM 1474 C SER A 122 12.510 4.633 7.513 1.00 0.00 C ATOM 1475 O SER A 122 11.602 4.589 6.684 1.00 0.00 O ATOM 1476 CB SER A 122 13.077 3.037 9.385 1.00 0.00 C ATOM 1477 OG SER A 122 12.341 1.845 9.146 1.00 0.00 O ATOM 0 H SER A 122 10.581 3.017 8.929 1.00 0.00 H new ATOM 0 HA SER A 122 12.556 5.114 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.012 3.014 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.339 3.105 10.441 1.00 0.00 H new ATOM 0 HG SER A 122 11.819 1.942 8.322 1.00 0.00 H new ATOM 1483 N ASN A 123 13.744 5.018 7.205 1.00 0.00 N ATOM 1484 CA ASN A 123 14.111 5.414 5.845 1.00 0.00 C ATOM 1485 C ASN A 123 14.307 4.190 4.953 1.00 0.00 C ATOM 1486 O ASN A 123 14.221 4.282 3.729 1.00 0.00 O ATOM 1487 CB ASN A 123 15.389 6.265 5.848 1.00 0.00 C ATOM 1488 CG ASN A 123 16.606 5.510 6.356 1.00 0.00 C ATOM 1489 OD1 ASN A 123 16.499 4.646 7.228 1.00 0.00 O ATOM 1490 ND2 ASN A 123 17.768 5.827 5.812 1.00 0.00 N ATOM 0 H ASN A 123 14.509 5.065 7.878 1.00 0.00 H new ATOM 0 HA ASN A 123 13.292 6.011 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 123 15.585 6.619 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.230 7.146 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 123 18.618 5.350 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 123 17.814 6.548 5.092 1.00 0.00 H new ATOM 1497 N ASP A 124 14.580 3.047 5.574 1.00 0.00 N ATOM 1498 CA ASP A 124 14.724 1.788 4.843 1.00 0.00 C ATOM 1499 C ASP A 124 13.350 1.220 4.523 1.00 0.00 C ATOM 1500 O ASP A 124 13.223 0.254 3.773 1.00 0.00 O ATOM 1501 CB ASP A 124 15.497 0.764 5.675 1.00 0.00 C ATOM 1502 CG ASP A 124 14.641 0.202 6.786 1.00 0.00 C ATOM 1503 OD1 ASP A 124 14.247 -0.972 6.753 1.00 0.00 O ATOM 1504 OD2 ASP A 124 14.272 0.938 7.706 1.00 0.00 O ATOM 0 H ASP A 124 14.707 2.964 6.583 1.00 0.00 H new ATOM 0 HA ASP A 124 15.272 1.990 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.840 -0.046 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 124 16.385 1.232 6.099 1.00 0.00 H new ATOM 1509 N ASP A 125 12.330 1.805 5.139 1.00 0.00 N ATOM 1510 CA ASP A 125 10.953 1.397 4.912 1.00 0.00 C ATOM 1511 C ASP A 125 10.507 1.832 3.528 1.00 0.00 C ATOM 1512 O ASP A 125 9.999 2.943 3.346 1.00 0.00 O ATOM 1513 CB ASP A 125 10.028 2.001 5.972 1.00 0.00 C ATOM 1514 CG ASP A 125 10.045 1.250 7.290 1.00 0.00 C ATOM 1515 OD1 ASP A 125 8.999 0.661 7.640 1.00 0.00 O ATOM 1516 OD2 ASP A 125 11.084 1.277 7.998 1.00 0.00 O ATOM 0 H ASP A 125 12.435 2.570 5.805 1.00 0.00 H new ATOM 0 HA ASP A 125 10.898 0.311 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.319 3.036 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.009 2.018 5.586 1.00 0.00 H new ATOM 1521 N ILE A 126 10.723 0.961 2.552 1.00 0.00 N ATOM 1522 CA ILE A 126 10.397 1.263 1.172 1.00 0.00 C ATOM 1523 C ILE A 126 8.891 1.391 1.000 1.00 0.00 C ATOM 1524 O ILE A 126 8.158 0.398 1.024 1.00 0.00 O ATOM 1525 CB ILE A 126 10.940 0.187 0.205 1.00 0.00 C ATOM 1526 CG1 ILE A 126 12.452 0.002 0.392 1.00 0.00 C ATOM 1527 CG2 ILE A 126 10.624 0.559 -1.237 1.00 0.00 C ATOM 1528 CD1 ILE A 126 13.263 1.256 0.127 1.00 0.00 C ATOM 0 H ILE A 126 11.125 0.035 2.696 1.00 0.00 H new ATOM 0 HA ILE A 126 10.875 2.211 0.926 1.00 0.00 H new ATOM 0 HB ILE A 126 10.449 -0.758 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.644 -0.334 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.796 -0.789 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 126 11.013 -0.209 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.544 0.637 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 126 11.088 1.516 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.321 1.044 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 126 13.103 1.582 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.948 2.044 0.811 1.00 0.00 H new ATOM 1540 N GLY A 127 8.436 2.621 0.849 1.00 0.00 N ATOM 1541 CA GLY A 127 7.025 2.876 0.713 1.00 0.00 C ATOM 1542 C GLY A 127 6.720 3.859 -0.390 1.00 0.00 C ATOM 1543 O GLY A 127 7.561 4.118 -1.255 1.00 0.00 O ATOM 0 H GLY A 127 9.026 3.453 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.507 1.938 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.636 3.260 1.656 1.00 0.00 H new ATOM 1547 N ASN A 128 5.526 4.426 -0.341 1.00 0.00 N ATOM 1548 CA ASN A 128 5.032 5.296 -1.404 1.00 0.00 C ATOM 1549 C ASN A 128 5.900 6.542 -1.560 1.00 0.00 C ATOM 1550 O ASN A 128 6.158 6.990 -2.676 1.00 0.00 O ATOM 1551 CB ASN A 128 3.586 5.705 -1.104 1.00 0.00 C ATOM 1552 CG ASN A 128 2.863 6.262 -2.317 1.00 0.00 C ATOM 1553 OD1 ASN A 128 2.903 7.461 -2.589 1.00 0.00 O ATOM 1554 ND2 ASN A 128 2.177 5.391 -3.043 1.00 0.00 N ATOM 0 H ASN A 128 4.872 4.299 0.431 1.00 0.00 H new ATOM 0 HA ASN A 128 5.074 4.741 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.040 4.840 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.583 6.453 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.657 5.707 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 128 2.170 4.405 -2.783 1.00 0.00 H new ATOM 1561 N TRP A 129 6.370 7.087 -0.444 1.00 0.00 N ATOM 1562 CA TRP A 129 7.088 8.353 -0.476 1.00 0.00 C ATOM 1563 C TRP A 129 8.544 8.188 -0.911 1.00 0.00 C ATOM 1564 O TRP A 129 9.112 9.093 -1.524 1.00 0.00 O ATOM 1565 CB TRP A 129 7.024 9.043 0.886 1.00 0.00 C ATOM 1566 CG TRP A 129 7.383 10.498 0.827 1.00 0.00 C ATOM 1567 CD1 TRP A 129 6.579 11.515 0.400 1.00 0.00 C ATOM 1568 CD2 TRP A 129 8.626 11.102 1.206 1.00 0.00 C ATOM 1569 NE1 TRP A 129 7.245 12.711 0.486 1.00 0.00 N ATOM 1570 CE2 TRP A 129 8.503 12.486 0.979 1.00 0.00 C ATOM 1571 CE3 TRP A 129 9.831 10.609 1.715 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 9.538 13.380 1.243 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 10.858 11.497 1.976 1.00 0.00 C ATOM 1574 CH2 TRP A 129 10.705 12.869 1.740 1.00 0.00 C ATOM 0 H TRP A 129 6.268 6.677 0.484 1.00 0.00 H new ATOM 0 HA TRP A 129 6.593 8.976 -1.221 1.00 0.00 H new ATOM 0 HB2 TRP A 129 6.018 8.940 1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 129 7.699 8.536 1.575 1.00 0.00 H new ATOM 0 HD1 TRP A 129 5.566 11.395 0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 129 6.865 13.621 0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.958 9.553 1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 9.423 14.438 1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 11.794 11.127 2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 129 11.526 13.537 1.955 1.00 0.00 H new ATOM 1585 N THR A 130 9.156 7.047 -0.606 1.00 0.00 N ATOM 1586 CA THR A 130 10.562 6.849 -0.947 1.00 0.00 C ATOM 1587 C THR A 130 10.737 6.733 -2.463 1.00 0.00 C ATOM 1588 O THR A 130 11.744 7.173 -3.020 1.00 0.00 O ATOM 1589 CB THR A 130 11.176 5.614 -0.239 1.00 0.00 C ATOM 1590 OG1 THR A 130 12.607 5.683 -0.277 1.00 0.00 O ATOM 1591 CG2 THR A 130 10.727 4.314 -0.888 1.00 0.00 C ATOM 0 H THR A 130 8.712 6.260 -0.133 1.00 0.00 H new ATOM 0 HA THR A 130 11.101 7.726 -0.589 1.00 0.00 H new ATOM 0 HB THR A 130 10.827 5.625 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 130 12.984 4.899 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.178 3.471 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.641 4.236 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.040 4.302 -1.932 1.00 0.00 H new ATOM 1599 N ILE A 131 9.741 6.161 -3.130 1.00 0.00 N ATOM 1600 CA ILE A 131 9.764 6.062 -4.579 1.00 0.00 C ATOM 1601 C ILE A 131 9.140 7.320 -5.185 1.00 0.00 C ATOM 1602 O ILE A 131 9.594 7.807 -6.223 1.00 0.00 O ATOM 1603 CB ILE A 131 9.036 4.785 -5.075 1.00 0.00 C ATOM 1604 CG1 ILE A 131 9.198 4.621 -6.590 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.561 4.805 -4.698 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.625 4.360 -7.024 1.00 0.00 C ATOM 0 H ILE A 131 8.912 5.761 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 131 10.801 5.984 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 131 9.498 3.930 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.569 3.797 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.836 5.522 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 131 7.080 3.896 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.463 4.860 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.082 5.674 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.662 4.255 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.257 5.194 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.985 3.443 -6.558 1.00 0.00 H new ATOM 1618 N GLY A 132 8.131 7.859 -4.512 1.00 0.00 N ATOM 1619 CA GLY A 132 7.555 9.126 -4.910 1.00 0.00 C ATOM 1620 C GLY A 132 6.900 9.086 -6.275 1.00 0.00 C ATOM 1621 O GLY A 132 7.513 9.462 -7.275 1.00 0.00 O ATOM 0 H GLY A 132 7.699 7.435 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.815 9.429 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.335 9.887 -4.912 1.00 0.00 H new