USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 45 MET CE :methyl 154:sc= -0.247 (180deg=-0.426) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.368 K(o=0.12,f=-1.9!) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.4!) USER MOD Set 3.1: A 17 SER OG : rot -61:sc= -0.636 USER MOD Set 3.2: A 50 TYR OH : rot -15:sc= 0.774 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.397 (180deg=-0.622) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -100:sc= -1.02 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 8 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.21) USER MOD Single : A 13 LYS NZ :NH3+ 145:sc= 2.02 (180deg=0.627) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0405 X(o=-0.041,f=-0.041) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0779) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 34 MET CE :methyl -140:sc= -0.0341 (180deg=-0.565) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.724 K(o=0.72,f=-6.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.81! C(o=-1.8!,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc=-0.00309 (180deg=-0.0396) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.838 USER MOD Single : A 75 THR OG1 : rot 88:sc= 1.11 USER MOD Single : A 76 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.96) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -83:sc= 0.0297 USER MOD Single : A 98 SER OG : rot -22:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.107 -0.064 1.030 1.00 54.33 N ATOM 2 CA MET A 1 -11.153 0.073 -0.090 1.00 65.03 C ATOM 3 C MET A 1 -10.648 -1.319 -0.506 1.00 45.34 C ATOM 4 O MET A 1 -9.931 -1.965 0.261 1.00 70.41 O ATOM 5 CB MET A 1 -9.951 0.986 0.317 1.00 3.32 C ATOM 6 CG MET A 1 -8.928 1.228 -0.809 1.00 10.30 C ATOM 7 SD MET A 1 -7.570 2.324 -0.341 1.00 62.34 S ATOM 8 CE MET A 1 -6.686 1.330 0.851 1.00 0.24 C ATOM 0 H1 MET A 1 -12.449 0.877 1.312 1.00 54.33 H new ATOM 0 H2 MET A 1 -12.912 -0.650 0.730 1.00 54.33 H new ATOM 0 H3 MET A 1 -11.632 -0.516 1.837 1.00 54.33 H new ATOM 0 HA MET A 1 -11.662 0.540 -0.933 1.00 65.03 H new ATOM 0 HB2 MET A 1 -10.338 1.948 0.653 1.00 3.32 H new ATOM 0 HB3 MET A 1 -9.439 0.535 1.166 1.00 3.32 H new ATOM 0 HG2 MET A 1 -8.516 0.269 -1.124 1.00 10.30 H new ATOM 0 HG3 MET A 1 -9.444 1.652 -1.670 1.00 10.30 H new ATOM 0 HE1 MET A 1 -5.719 1.788 1.061 1.00 0.24 H new ATOM 0 HE2 MET A 1 -7.265 1.266 1.772 1.00 0.24 H new ATOM 0 HE3 MET A 1 -6.534 0.329 0.448 1.00 0.24 H new ATOM 20 N THR A 2 -11.063 -1.779 -1.706 1.00 4.32 N ATOM 21 CA THR A 2 -10.560 -3.024 -2.329 1.00 54.44 C ATOM 22 C THR A 2 -9.217 -2.769 -3.034 1.00 61.12 C ATOM 23 O THR A 2 -8.734 -1.631 -3.065 1.00 42.51 O ATOM 24 CB THR A 2 -11.589 -3.587 -3.371 1.00 54.32 C ATOM 25 OG1 THR A 2 -11.857 -2.600 -4.383 1.00 13.12 O ATOM 26 CG2 THR A 2 -12.906 -4.011 -2.707 1.00 13.30 C ATOM 0 H THR A 2 -11.760 -1.295 -2.273 1.00 4.32 H new ATOM 0 HA THR A 2 -10.421 -3.758 -1.535 1.00 54.44 H new ATOM 0 HB THR A 2 -11.142 -4.472 -3.824 1.00 54.32 H new ATOM 0 HG1 THR A 2 -12.706 -2.151 -4.186 1.00 13.12 H new ATOM 0 HG21 THR A 2 -13.589 -4.394 -3.465 1.00 13.30 H new ATOM 0 HG22 THR A 2 -12.708 -4.789 -1.970 1.00 13.30 H new ATOM 0 HG23 THR A 2 -13.358 -3.151 -2.213 1.00 13.30 H new ATOM 34 N GLY A 3 -8.620 -3.844 -3.586 1.00 45.21 N ATOM 35 CA GLY A 3 -7.378 -3.744 -4.359 1.00 75.05 C ATOM 36 C GLY A 3 -7.559 -2.999 -5.671 1.00 11.20 C ATOM 37 O GLY A 3 -6.588 -2.480 -6.236 1.00 14.40 O ATOM 0 H GLY A 3 -8.985 -4.793 -3.507 1.00 45.21 H new ATOM 0 HA2 GLY A 3 -6.622 -3.236 -3.760 1.00 75.05 H new ATOM 0 HA3 GLY A 3 -7.002 -4.746 -4.564 1.00 75.05 H new ATOM 41 N GLN A 4 -8.815 -2.981 -6.156 1.00 21.01 N ATOM 42 CA GLN A 4 -9.241 -2.173 -7.306 1.00 13.24 C ATOM 43 C GLN A 4 -9.025 -0.678 -6.996 1.00 22.34 C ATOM 44 O GLN A 4 -8.383 0.042 -7.768 1.00 70.54 O ATOM 45 CB GLN A 4 -10.739 -2.473 -7.639 1.00 50.34 C ATOM 46 CG GLN A 4 -11.372 -1.564 -8.719 1.00 11.42 C ATOM 47 CD GLN A 4 -10.742 -1.689 -10.112 1.00 1.01 C ATOM 48 OE1 GLN A 4 -10.294 -2.766 -10.519 1.00 11.32 O ATOM 49 NE2 GLN A 4 -10.686 -0.583 -10.844 1.00 15.10 N ATOM 0 H GLN A 4 -9.570 -3.536 -5.752 1.00 21.01 H new ATOM 0 HA GLN A 4 -8.643 -2.431 -8.180 1.00 13.24 H new ATOM 0 HB2 GLN A 4 -10.820 -3.509 -7.967 1.00 50.34 H new ATOM 0 HB3 GLN A 4 -11.323 -2.382 -6.723 1.00 50.34 H new ATOM 0 HG2 GLN A 4 -12.434 -1.797 -8.793 1.00 11.42 H new ATOM 0 HG3 GLN A 4 -11.295 -0.527 -8.392 1.00 11.42 H new ATOM 0 HE21 GLN A 4 -11.065 0.290 -10.478 1.00 15.10 H new ATOM 0 HE22 GLN A 4 -10.264 -0.607 -11.772 1.00 15.10 H new ATOM 58 N GLU A 5 -9.544 -0.250 -5.830 1.00 15.14 N ATOM 59 CA GLU A 5 -9.458 1.146 -5.359 1.00 10.34 C ATOM 60 C GLU A 5 -8.000 1.512 -5.021 1.00 31.30 C ATOM 61 O GLU A 5 -7.548 2.625 -5.297 1.00 61.32 O ATOM 62 CB GLU A 5 -10.337 1.350 -4.091 1.00 22.51 C ATOM 63 CG GLU A 5 -11.746 0.738 -4.135 1.00 21.32 C ATOM 64 CD GLU A 5 -12.588 1.192 -5.334 1.00 73.34 C ATOM 65 OE1 GLU A 5 -13.000 2.369 -5.368 1.00 34.10 O ATOM 66 OE2 GLU A 5 -12.841 0.368 -6.243 1.00 45.34 O ATOM 0 H GLU A 5 -10.038 -0.866 -5.184 1.00 15.14 H new ATOM 0 HA GLU A 5 -9.820 1.792 -6.159 1.00 10.34 H new ATOM 0 HB2 GLU A 5 -9.808 0.929 -3.236 1.00 22.51 H new ATOM 0 HB3 GLU A 5 -10.434 2.421 -3.910 1.00 22.51 H new ATOM 0 HG2 GLU A 5 -11.658 -0.348 -4.157 1.00 21.32 H new ATOM 0 HG3 GLU A 5 -12.272 0.997 -3.216 1.00 21.32 H new ATOM 73 N LEU A 6 -7.293 0.548 -4.404 1.00 33.13 N ATOM 74 CA LEU A 6 -5.895 0.706 -3.980 1.00 40.41 C ATOM 75 C LEU A 6 -4.989 0.963 -5.199 1.00 65.04 C ATOM 76 O LEU A 6 -4.154 1.866 -5.164 1.00 3.11 O ATOM 77 CB LEU A 6 -5.436 -0.558 -3.196 1.00 50.12 C ATOM 78 CG LEU A 6 -3.975 -0.548 -2.620 1.00 22.45 C ATOM 79 CD1 LEU A 6 -3.735 0.654 -1.686 1.00 54.50 C ATOM 80 CD2 LEU A 6 -3.654 -1.880 -1.914 1.00 72.15 C ATOM 0 H LEU A 6 -7.682 -0.369 -4.185 1.00 33.13 H new ATOM 0 HA LEU A 6 -5.817 1.569 -3.319 1.00 40.41 H new ATOM 0 HB2 LEU A 6 -6.126 -0.711 -2.366 1.00 50.12 H new ATOM 0 HB3 LEU A 6 -5.534 -1.420 -3.856 1.00 50.12 H new ATOM 0 HG LEU A 6 -3.291 -0.439 -3.462 1.00 22.45 H new ATOM 0 HD11 LEU A 6 -2.713 0.624 -1.309 1.00 54.50 H new ATOM 0 HD12 LEU A 6 -3.891 1.581 -2.238 1.00 54.50 H new ATOM 0 HD13 LEU A 6 -4.432 0.609 -0.849 1.00 54.50 H new ATOM 0 HD21 LEU A 6 -2.637 -1.849 -1.523 1.00 72.15 H new ATOM 0 HD22 LEU A 6 -4.354 -2.034 -1.092 1.00 72.15 H new ATOM 0 HD23 LEU A 6 -3.744 -2.700 -2.626 1.00 72.15 H new ATOM 92 N ARG A 7 -5.206 0.185 -6.290 1.00 63.11 N ATOM 93 CA ARG A 7 -4.453 0.339 -7.555 1.00 0.40 C ATOM 94 C ARG A 7 -4.727 1.714 -8.182 1.00 14.44 C ATOM 95 O ARG A 7 -3.800 2.416 -8.593 1.00 13.33 O ATOM 96 CB ARG A 7 -4.819 -0.789 -8.562 1.00 61.34 C ATOM 97 CG ARG A 7 -4.026 -0.721 -9.893 1.00 64.31 C ATOM 98 CD ARG A 7 -4.194 -1.963 -10.782 1.00 63.10 C ATOM 99 NE ARG A 7 -3.316 -1.914 -11.968 1.00 4.44 N ATOM 100 CZ ARG A 7 -2.803 -2.986 -12.600 1.00 65.44 C ATOM 101 NH1 ARG A 7 -3.069 -4.216 -12.183 1.00 3.53 N ATOM 102 NH2 ARG A 7 -2.028 -2.820 -13.660 1.00 0.21 N ATOM 0 H ARG A 7 -5.902 -0.560 -6.315 1.00 63.11 H new ATOM 0 HA ARG A 7 -3.391 0.263 -7.324 1.00 0.40 H new ATOM 0 HB2 ARG A 7 -4.639 -1.756 -8.092 1.00 61.34 H new ATOM 0 HB3 ARG A 7 -5.885 -0.735 -8.782 1.00 61.34 H new ATOM 0 HG2 ARG A 7 -4.346 0.159 -10.451 1.00 64.31 H new ATOM 0 HG3 ARG A 7 -2.968 -0.588 -9.668 1.00 64.31 H new ATOM 0 HD2 ARG A 7 -3.970 -2.858 -10.201 1.00 63.10 H new ATOM 0 HD3 ARG A 7 -5.233 -2.042 -11.102 1.00 63.10 H new ATOM 0 HE ARG A 7 -3.079 -0.994 -12.338 1.00 4.44 H new ATOM 0 HH11 ARG A 7 -3.670 -4.361 -11.372 1.00 3.53 H new ATOM 0 HH12 ARG A 7 -2.672 -5.018 -12.673 1.00 3.53 H new ATOM 0 HH21 ARG A 7 -1.820 -1.880 -13.997 1.00 0.21 H new ATOM 0 HH22 ARG A 7 -1.639 -3.632 -14.139 1.00 0.21 H new ATOM 116 N GLN A 8 -6.020 2.088 -8.222 1.00 45.13 N ATOM 117 CA GLN A 8 -6.479 3.379 -8.767 1.00 3.12 C ATOM 118 C GLN A 8 -5.946 4.573 -7.956 1.00 34.24 C ATOM 119 O GLN A 8 -5.845 5.665 -8.493 1.00 53.40 O ATOM 120 CB GLN A 8 -8.032 3.412 -8.853 1.00 11.53 C ATOM 121 CG GLN A 8 -8.625 2.558 -9.989 1.00 12.44 C ATOM 122 CD GLN A 8 -8.254 3.093 -11.376 1.00 42.02 C ATOM 123 OE1 GLN A 8 -8.963 3.911 -11.948 1.00 22.22 O ATOM 124 NE2 GLN A 8 -7.128 2.657 -11.914 1.00 11.24 N ATOM 0 H GLN A 8 -6.778 1.500 -7.876 1.00 45.13 H new ATOM 0 HA GLN A 8 -6.072 3.473 -9.774 1.00 3.12 H new ATOM 0 HB2 GLN A 8 -8.444 3.068 -7.904 1.00 11.53 H new ATOM 0 HB3 GLN A 8 -8.354 4.445 -8.985 1.00 11.53 H new ATOM 0 HG2 GLN A 8 -8.271 1.532 -9.892 1.00 12.44 H new ATOM 0 HG3 GLN A 8 -9.710 2.531 -9.891 1.00 12.44 H new ATOM 0 HE21 GLN A 8 -6.556 1.975 -11.416 1.00 11.24 H new ATOM 0 HE22 GLN A 8 -6.832 3.002 -12.827 1.00 11.24 H new ATOM 133 N LEU A 9 -5.614 4.346 -6.673 1.00 4.23 N ATOM 134 CA LEU A 9 -5.027 5.372 -5.789 1.00 42.44 C ATOM 135 C LEU A 9 -3.550 5.625 -6.174 1.00 64.11 C ATOM 136 O LEU A 9 -3.095 6.780 -6.203 1.00 15.03 O ATOM 137 CB LEU A 9 -5.160 4.908 -4.313 1.00 30.31 C ATOM 138 CG LEU A 9 -4.585 5.844 -3.197 1.00 13.42 C ATOM 139 CD1 LEU A 9 -5.193 7.261 -3.253 1.00 51.13 C ATOM 140 CD2 LEU A 9 -4.788 5.205 -1.806 1.00 14.10 C ATOM 0 H LEU A 9 -5.745 3.443 -6.217 1.00 4.23 H new ATOM 0 HA LEU A 9 -5.562 6.315 -5.906 1.00 42.44 H new ATOM 0 HB2 LEU A 9 -6.219 4.751 -4.106 1.00 30.31 H new ATOM 0 HB3 LEU A 9 -4.670 3.938 -4.222 1.00 30.31 H new ATOM 0 HG LEU A 9 -3.516 5.956 -3.379 1.00 13.42 H new ATOM 0 HD11 LEU A 9 -4.763 7.873 -2.460 1.00 51.13 H new ATOM 0 HD12 LEU A 9 -4.973 7.713 -4.220 1.00 51.13 H new ATOM 0 HD13 LEU A 9 -6.273 7.199 -3.119 1.00 51.13 H new ATOM 0 HD21 LEU A 9 -4.384 5.866 -1.039 1.00 14.10 H new ATOM 0 HD22 LEU A 9 -5.852 5.051 -1.628 1.00 14.10 H new ATOM 0 HD23 LEU A 9 -4.271 4.246 -1.767 1.00 14.10 H new ATOM 152 N LEU A 10 -2.823 4.530 -6.496 1.00 61.44 N ATOM 153 CA LEU A 10 -1.397 4.581 -6.896 1.00 1.43 C ATOM 154 C LEU A 10 -1.260 5.201 -8.307 1.00 61.51 C ATOM 155 O LEU A 10 -0.299 5.919 -8.596 1.00 63.33 O ATOM 156 CB LEU A 10 -0.785 3.147 -6.889 1.00 34.31 C ATOM 157 CG LEU A 10 -1.065 2.283 -5.621 1.00 61.40 C ATOM 158 CD1 LEU A 10 -0.582 0.837 -5.806 1.00 3.52 C ATOM 159 CD2 LEU A 10 -0.472 2.920 -4.352 1.00 40.23 C ATOM 0 H LEU A 10 -3.209 3.586 -6.486 1.00 61.44 H new ATOM 0 HA LEU A 10 -0.857 5.202 -6.181 1.00 1.43 H new ATOM 0 HB2 LEU A 10 -1.162 2.610 -7.759 1.00 34.31 H new ATOM 0 HB3 LEU A 10 0.294 3.235 -7.012 1.00 34.31 H new ATOM 0 HG LEU A 10 -2.146 2.251 -5.487 1.00 61.40 H new ATOM 0 HD11 LEU A 10 -0.793 0.264 -4.903 1.00 3.52 H new ATOM 0 HD12 LEU A 10 -1.101 0.386 -6.652 1.00 3.52 H new ATOM 0 HD13 LEU A 10 0.492 0.833 -5.995 1.00 3.52 H new ATOM 0 HD21 LEU A 10 -0.689 2.287 -3.492 1.00 40.23 H new ATOM 0 HD22 LEU A 10 0.607 3.020 -4.466 1.00 40.23 H new ATOM 0 HD23 LEU A 10 -0.914 3.905 -4.199 1.00 40.23 H new ATOM 171 N LEU A 11 -2.244 4.897 -9.175 1.00 42.32 N ATOM 172 CA LEU A 11 -2.292 5.385 -10.569 1.00 25.43 C ATOM 173 C LEU A 11 -2.746 6.849 -10.635 1.00 41.34 C ATOM 174 O LEU A 11 -2.282 7.608 -11.497 1.00 44.10 O ATOM 175 CB LEU A 11 -3.246 4.499 -11.406 1.00 75.22 C ATOM 176 CG LEU A 11 -2.763 3.042 -11.645 1.00 40.23 C ATOM 177 CD1 LEU A 11 -3.852 2.185 -12.310 1.00 64.12 C ATOM 178 CD2 LEU A 11 -1.463 3.036 -12.470 1.00 55.11 C ATOM 0 H LEU A 11 -3.034 4.301 -8.928 1.00 42.32 H new ATOM 0 HA LEU A 11 -1.284 5.326 -10.981 1.00 25.43 H new ATOM 0 HB2 LEU A 11 -4.215 4.466 -10.907 1.00 75.22 H new ATOM 0 HB3 LEU A 11 -3.402 4.976 -12.374 1.00 75.22 H new ATOM 0 HG LEU A 11 -2.554 2.593 -10.674 1.00 40.23 H new ATOM 0 HD11 LEU A 11 -3.477 1.173 -12.461 1.00 64.12 H new ATOM 0 HD12 LEU A 11 -4.733 2.154 -11.668 1.00 64.12 H new ATOM 0 HD13 LEU A 11 -4.120 2.620 -13.273 1.00 64.12 H new ATOM 0 HD21 LEU A 11 -1.138 2.008 -12.629 1.00 55.11 H new ATOM 0 HD22 LEU A 11 -1.641 3.513 -13.434 1.00 55.11 H new ATOM 0 HD23 LEU A 11 -0.688 3.583 -11.932 1.00 55.11 H new ATOM 190 N ASP A 12 -3.675 7.217 -9.739 1.00 24.31 N ATOM 191 CA ASP A 12 -4.199 8.593 -9.650 1.00 52.50 C ATOM 192 C ASP A 12 -3.099 9.579 -9.247 1.00 14.32 C ATOM 193 O ASP A 12 -2.913 10.613 -9.896 1.00 44.34 O ATOM 194 CB ASP A 12 -5.366 8.668 -8.638 1.00 53.33 C ATOM 195 CG ASP A 12 -5.998 10.064 -8.540 1.00 44.43 C ATOM 196 OD1 ASP A 12 -6.691 10.468 -9.494 1.00 51.31 O ATOM 197 OD2 ASP A 12 -5.803 10.767 -7.520 1.00 54.44 O ATOM 0 H ASP A 12 -4.083 6.576 -9.059 1.00 24.31 H new ATOM 0 HA ASP A 12 -4.567 8.870 -10.638 1.00 52.50 H new ATOM 0 HB2 ASP A 12 -6.133 7.949 -8.925 1.00 53.33 H new ATOM 0 HB3 ASP A 12 -5.004 8.371 -7.654 1.00 53.33 H new ATOM 202 N LYS A 13 -2.369 9.224 -8.180 1.00 73.43 N ATOM 203 CA LYS A 13 -1.374 10.108 -7.558 1.00 72.21 C ATOM 204 C LYS A 13 -0.001 9.997 -8.256 1.00 44.03 C ATOM 205 O LYS A 13 0.601 11.013 -8.623 1.00 11.11 O ATOM 206 CB LYS A 13 -1.257 9.790 -6.037 1.00 3.01 C ATOM 207 CG LYS A 13 -0.280 10.697 -5.234 1.00 11.24 C ATOM 208 CD LYS A 13 -0.491 12.210 -5.505 1.00 45.02 C ATOM 209 CE LYS A 13 0.416 13.119 -4.655 1.00 15.23 C ATOM 210 NZ LYS A 13 -0.008 13.145 -3.229 1.00 63.05 N ATOM 0 H LYS A 13 -2.452 8.315 -7.724 1.00 73.43 H new ATOM 0 HA LYS A 13 -1.711 11.138 -7.676 1.00 72.21 H new ATOM 0 HB2 LYS A 13 -2.248 9.869 -5.590 1.00 3.01 H new ATOM 0 HB3 LYS A 13 -0.938 8.754 -5.924 1.00 3.01 H new ATOM 0 HG2 LYS A 13 -0.407 10.504 -4.169 1.00 11.24 H new ATOM 0 HG3 LYS A 13 0.746 10.429 -5.486 1.00 11.24 H new ATOM 0 HD2 LYS A 13 -0.307 12.411 -6.560 1.00 45.02 H new ATOM 0 HD3 LYS A 13 -1.533 12.464 -5.309 1.00 45.02 H new ATOM 0 HE2 LYS A 13 1.446 12.769 -4.722 1.00 15.23 H new ATOM 0 HE3 LYS A 13 0.397 14.131 -5.058 1.00 15.23 H new ATOM 0 HZ1 LYS A 13 0.831 13.219 -2.619 1.00 63.05 H new ATOM 0 HZ2 LYS A 13 -0.628 13.964 -3.066 1.00 63.05 H new ATOM 0 HZ3 LYS A 13 -0.524 12.270 -3.004 1.00 63.05 H new ATOM 224 N TRP A 14 0.494 8.766 -8.441 1.00 22.34 N ATOM 225 CA TRP A 14 1.886 8.525 -8.890 1.00 70.34 C ATOM 226 C TRP A 14 1.970 8.079 -10.367 1.00 75.51 C ATOM 227 O TRP A 14 3.018 8.236 -11.001 1.00 12.03 O ATOM 228 CB TRP A 14 2.545 7.491 -7.950 1.00 51.03 C ATOM 229 CG TRP A 14 2.664 7.946 -6.505 1.00 23.15 C ATOM 230 CD1 TRP A 14 2.984 9.200 -6.068 1.00 24.12 C ATOM 231 CD2 TRP A 14 2.479 7.159 -5.321 1.00 22.22 C ATOM 232 NE1 TRP A 14 3.059 9.226 -4.706 1.00 40.43 N ATOM 233 CE2 TRP A 14 2.742 7.995 -4.217 1.00 2.34 C ATOM 234 CE3 TRP A 14 2.133 5.834 -5.082 1.00 4.11 C ATOM 235 CZ2 TRP A 14 2.667 7.550 -2.904 1.00 10.24 C ATOM 236 CZ3 TRP A 14 2.053 5.393 -3.777 1.00 52.53 C ATOM 237 CH2 TRP A 14 2.328 6.247 -2.701 1.00 45.25 C ATOM 0 H TRP A 14 -0.045 7.914 -8.288 1.00 22.34 H new ATOM 0 HA TRP A 14 2.429 9.468 -8.837 1.00 70.34 H new ATOM 0 HB2 TRP A 14 1.966 6.568 -7.981 1.00 51.03 H new ATOM 0 HB3 TRP A 14 3.540 7.256 -8.328 1.00 51.03 H new ATOM 0 HD1 TRP A 14 3.154 10.051 -6.710 1.00 24.12 H new ATOM 0 HE1 TRP A 14 3.312 10.038 -4.143 1.00 40.43 H new ATOM 0 HE3 TRP A 14 1.930 5.162 -5.903 1.00 4.11 H new ATOM 0 HZ2 TRP A 14 2.870 8.212 -2.075 1.00 10.24 H new ATOM 0 HZ3 TRP A 14 1.773 4.369 -3.581 1.00 52.53 H new ATOM 0 HH2 TRP A 14 2.270 5.865 -1.692 1.00 45.25 H new ATOM 248 N GLY A 15 0.871 7.514 -10.899 1.00 13.32 N ATOM 249 CA GLY A 15 0.802 7.115 -12.322 1.00 1.52 C ATOM 250 C GLY A 15 1.255 5.681 -12.590 1.00 42.42 C ATOM 251 O GLY A 15 1.205 5.220 -13.735 1.00 24.34 O ATOM 0 H GLY A 15 0.020 7.323 -10.370 1.00 13.32 H new ATOM 0 HA2 GLY A 15 -0.224 7.232 -12.672 1.00 1.52 H new ATOM 0 HA3 GLY A 15 1.419 7.795 -12.909 1.00 1.52 H new ATOM 255 N TYR A 16 1.702 4.982 -11.538 1.00 34.43 N ATOM 256 CA TYR A 16 2.210 3.595 -11.636 1.00 32.44 C ATOM 257 C TYR A 16 1.580 2.738 -10.535 1.00 53.30 C ATOM 258 O TYR A 16 1.346 3.212 -9.418 1.00 55.44 O ATOM 259 CB TYR A 16 3.762 3.535 -11.547 1.00 4.25 C ATOM 260 CG TYR A 16 4.496 4.129 -12.760 1.00 35.10 C ATOM 261 CD1 TYR A 16 4.791 5.491 -12.827 1.00 11.23 C ATOM 262 CD2 TYR A 16 4.897 3.320 -13.832 1.00 11.44 C ATOM 263 CE1 TYR A 16 5.453 6.025 -13.912 1.00 44.33 C ATOM 264 CE2 TYR A 16 5.566 3.851 -14.915 1.00 15.01 C ATOM 265 CZ TYR A 16 5.842 5.203 -14.954 1.00 60.23 C ATOM 266 OH TYR A 16 6.518 5.733 -16.031 1.00 33.14 O ATOM 0 H TYR A 16 1.724 5.358 -10.590 1.00 34.43 H new ATOM 0 HA TYR A 16 1.928 3.202 -12.613 1.00 32.44 H new ATOM 0 HB2 TYR A 16 4.082 4.065 -10.650 1.00 4.25 H new ATOM 0 HB3 TYR A 16 4.066 2.495 -11.428 1.00 4.25 H new ATOM 0 HD1 TYR A 16 4.496 6.138 -12.015 1.00 11.23 H new ATOM 0 HD2 TYR A 16 4.678 2.263 -13.810 1.00 11.44 H new ATOM 0 HE1 TYR A 16 5.667 7.083 -13.948 1.00 44.33 H new ATOM 0 HE2 TYR A 16 5.873 3.211 -15.729 1.00 15.01 H new ATOM 0 HH TYR A 16 6.719 5.021 -16.674 1.00 33.14 H new ATOM 276 N SER A 17 1.293 1.478 -10.880 1.00 2.35 N ATOM 277 CA SER A 17 0.679 0.514 -9.972 1.00 75.41 C ATOM 278 C SER A 17 1.794 -0.184 -9.174 1.00 53.35 C ATOM 279 O SER A 17 2.247 -1.272 -9.544 1.00 32.21 O ATOM 280 CB SER A 17 -0.165 -0.498 -10.787 1.00 14.33 C ATOM 281 OG SER A 17 -0.919 -1.348 -9.944 1.00 50.32 O ATOM 0 H SER A 17 1.484 1.099 -11.808 1.00 2.35 H new ATOM 0 HA SER A 17 0.009 1.012 -9.270 1.00 75.41 H new ATOM 0 HB2 SER A 17 -0.837 0.042 -11.454 1.00 14.33 H new ATOM 0 HB3 SER A 17 0.493 -1.099 -11.415 1.00 14.33 H new ATOM 0 HG SER A 17 -0.313 -1.862 -9.371 1.00 50.32 H new ATOM 287 N TYR A 18 2.264 0.492 -8.114 1.00 2.24 N ATOM 288 CA TYR A 18 3.380 0.015 -7.268 1.00 43.42 C ATOM 289 C TYR A 18 2.932 -1.116 -6.329 1.00 63.44 C ATOM 290 O TYR A 18 1.800 -1.122 -5.848 1.00 11.51 O ATOM 291 CB TYR A 18 3.947 1.172 -6.425 1.00 13.24 C ATOM 292 CG TYR A 18 4.565 2.323 -7.221 1.00 75.22 C ATOM 293 CD1 TYR A 18 5.873 2.245 -7.708 1.00 62.53 C ATOM 294 CD2 TYR A 18 3.858 3.500 -7.450 1.00 34.44 C ATOM 295 CE1 TYR A 18 6.444 3.298 -8.392 1.00 14.23 C ATOM 296 CE2 TYR A 18 4.424 4.544 -8.139 1.00 24.22 C ATOM 297 CZ TYR A 18 5.718 4.446 -8.606 1.00 40.31 C ATOM 298 OH TYR A 18 6.281 5.504 -9.287 1.00 21.31 O ATOM 0 H TYR A 18 1.882 1.389 -7.815 1.00 2.24 H new ATOM 0 HA TYR A 18 4.151 -0.369 -7.936 1.00 43.42 H new ATOM 0 HB2 TYR A 18 3.146 1.572 -5.803 1.00 13.24 H new ATOM 0 HB3 TYR A 18 4.704 0.771 -5.751 1.00 13.24 H new ATOM 0 HD1 TYR A 18 6.447 1.344 -7.546 1.00 62.53 H new ATOM 0 HD2 TYR A 18 2.848 3.593 -7.080 1.00 34.44 H new ATOM 0 HE1 TYR A 18 7.457 3.221 -8.758 1.00 14.23 H new ATOM 0 HE2 TYR A 18 3.854 5.444 -8.316 1.00 24.22 H new ATOM 0 HH TYR A 18 5.631 6.235 -9.351 1.00 21.31 H new ATOM 308 N ASP A 19 3.836 -2.069 -6.077 1.00 23.14 N ATOM 309 CA ASP A 19 3.611 -3.141 -5.104 1.00 5.31 C ATOM 310 C ASP A 19 3.570 -2.539 -3.697 1.00 41.43 C ATOM 311 O ASP A 19 4.290 -1.583 -3.406 1.00 12.23 O ATOM 312 CB ASP A 19 4.725 -4.213 -5.200 1.00 55.02 C ATOM 313 CG ASP A 19 4.525 -5.380 -4.206 1.00 55.34 C ATOM 314 OD1 ASP A 19 3.709 -6.287 -4.497 1.00 21.13 O ATOM 315 OD2 ASP A 19 5.176 -5.396 -3.132 1.00 3.12 O ATOM 0 H ASP A 19 4.743 -2.118 -6.542 1.00 23.14 H new ATOM 0 HA ASP A 19 2.660 -3.628 -5.321 1.00 5.31 H new ATOM 0 HB2 ASP A 19 4.755 -4.608 -6.215 1.00 55.02 H new ATOM 0 HB3 ASP A 19 5.691 -3.744 -5.012 1.00 55.02 H new ATOM 320 N VAL A 20 2.706 -3.090 -2.852 1.00 74.21 N ATOM 321 CA VAL A 20 2.527 -2.653 -1.456 1.00 13.41 C ATOM 322 C VAL A 20 2.606 -3.884 -0.535 1.00 63.15 C ATOM 323 O VAL A 20 2.084 -4.948 -0.876 1.00 52.42 O ATOM 324 CB VAL A 20 1.159 -1.884 -1.259 1.00 11.34 C ATOM 325 CG1 VAL A 20 1.193 -0.493 -1.939 1.00 70.03 C ATOM 326 CG2 VAL A 20 -0.022 -2.720 -1.793 1.00 74.31 C ATOM 0 H VAL A 20 2.097 -3.865 -3.113 1.00 74.21 H new ATOM 0 HA VAL A 20 3.322 -1.953 -1.198 1.00 13.41 H new ATOM 0 HB VAL A 20 1.017 -1.731 -0.189 1.00 11.34 H new ATOM 0 HG11 VAL A 20 0.238 0.010 -1.786 1.00 70.03 H new ATOM 0 HG12 VAL A 20 1.993 0.106 -1.503 1.00 70.03 H new ATOM 0 HG13 VAL A 20 1.372 -0.615 -3.007 1.00 70.03 H new ATOM 0 HG21 VAL A 20 -0.952 -2.171 -1.647 1.00 74.31 H new ATOM 0 HG22 VAL A 20 0.121 -2.915 -2.856 1.00 74.31 H new ATOM 0 HG23 VAL A 20 -0.071 -3.666 -1.254 1.00 74.31 H new ATOM 336 N GLN A 21 3.285 -3.735 0.614 1.00 71.24 N ATOM 337 CA GLN A 21 3.526 -4.839 1.569 1.00 22.02 C ATOM 338 C GLN A 21 3.624 -4.301 3.005 1.00 13.30 C ATOM 339 O GLN A 21 4.100 -3.184 3.228 1.00 54.34 O ATOM 340 CB GLN A 21 4.821 -5.604 1.180 1.00 21.20 C ATOM 341 CG GLN A 21 6.112 -4.744 1.186 1.00 65.42 C ATOM 342 CD GLN A 21 7.376 -5.489 0.731 1.00 5.12 C ATOM 343 OE1 GLN A 21 8.470 -5.228 1.230 1.00 31.10 O ATOM 344 NE2 GLN A 21 7.252 -6.373 -0.252 1.00 24.54 N ATOM 0 H GLN A 21 3.685 -2.845 0.911 1.00 71.24 H new ATOM 0 HA GLN A 21 2.685 -5.531 1.525 1.00 22.02 H new ATOM 0 HB2 GLN A 21 4.954 -6.438 1.869 1.00 21.20 H new ATOM 0 HB3 GLN A 21 4.690 -6.030 0.185 1.00 21.20 H new ATOM 0 HG2 GLN A 21 5.961 -3.881 0.538 1.00 65.42 H new ATOM 0 HG3 GLN A 21 6.274 -4.362 2.194 1.00 65.42 H new ATOM 0 HE21 GLN A 21 6.333 -6.570 -0.647 1.00 24.54 H new ATOM 0 HE22 GLN A 21 8.076 -6.855 -0.612 1.00 24.54 H new ATOM 353 N PHE A 22 3.145 -5.101 3.967 1.00 11.33 N ATOM 354 CA PHE A 22 3.144 -4.747 5.392 1.00 55.01 C ATOM 355 C PHE A 22 4.523 -5.018 6.017 1.00 52.22 C ATOM 356 O PHE A 22 5.270 -5.891 5.554 1.00 14.04 O ATOM 357 CB PHE A 22 2.053 -5.551 6.136 1.00 43.42 C ATOM 358 CG PHE A 22 0.633 -5.219 5.688 1.00 31.30 C ATOM 359 CD1 PHE A 22 0.002 -4.063 6.138 1.00 43.13 C ATOM 360 CD2 PHE A 22 -0.065 -6.058 4.813 1.00 34.20 C ATOM 361 CE1 PHE A 22 -1.273 -3.752 5.728 1.00 31.34 C ATOM 362 CE2 PHE A 22 -1.339 -5.744 4.407 1.00 63.25 C ATOM 363 CZ PHE A 22 -1.945 -4.589 4.865 1.00 52.24 C ATOM 0 H PHE A 22 2.744 -6.019 3.776 1.00 11.33 H new ATOM 0 HA PHE A 22 2.927 -3.683 5.486 1.00 55.01 H new ATOM 0 HB2 PHE A 22 2.232 -6.616 5.985 1.00 43.42 H new ATOM 0 HB3 PHE A 22 2.141 -5.361 7.206 1.00 43.42 H new ATOM 0 HD1 PHE A 22 0.520 -3.402 6.817 1.00 43.13 H new ATOM 0 HD2 PHE A 22 0.403 -6.962 4.453 1.00 34.20 H new ATOM 0 HE1 PHE A 22 -1.748 -2.850 6.083 1.00 31.34 H new ATOM 0 HE2 PHE A 22 -1.867 -6.399 3.730 1.00 63.25 H new ATOM 0 HZ PHE A 22 -2.947 -4.343 4.546 1.00 52.24 H new ATOM 373 N ARG A 23 4.837 -4.252 7.071 1.00 54.21 N ATOM 374 CA ARG A 23 6.069 -4.401 7.859 1.00 53.43 C ATOM 375 C ARG A 23 5.768 -4.068 9.323 1.00 74.42 C ATOM 376 O ARG A 23 5.200 -3.011 9.627 1.00 53.43 O ATOM 377 CB ARG A 23 7.188 -3.472 7.319 1.00 22.00 C ATOM 378 CG ARG A 23 8.528 -3.556 8.099 1.00 15.22 C ATOM 379 CD ARG A 23 9.569 -2.576 7.563 1.00 74.55 C ATOM 380 NE ARG A 23 10.841 -2.603 8.313 1.00 34.41 N ATOM 381 CZ ARG A 23 11.583 -1.511 8.613 1.00 3.45 C ATOM 382 NH1 ARG A 23 11.190 -0.299 8.243 1.00 62.41 N ATOM 383 NH2 ARG A 23 12.725 -1.642 9.265 1.00 25.25 N ATOM 0 H ARG A 23 4.234 -3.501 7.405 1.00 54.21 H new ATOM 0 HA ARG A 23 6.420 -5.430 7.778 1.00 53.43 H new ATOM 0 HB2 ARG A 23 7.375 -3.719 6.274 1.00 22.00 H new ATOM 0 HB3 ARG A 23 6.831 -2.442 7.344 1.00 22.00 H new ATOM 0 HG2 ARG A 23 8.346 -3.350 9.154 1.00 15.22 H new ATOM 0 HG3 ARG A 23 8.920 -4.571 8.036 1.00 15.22 H new ATOM 0 HD2 ARG A 23 9.768 -2.805 6.516 1.00 74.55 H new ATOM 0 HD3 ARG A 23 9.158 -1.567 7.596 1.00 74.55 H new ATOM 0 HE ARG A 23 11.185 -3.510 8.628 1.00 34.41 H new ATOM 0 HH11 ARG A 23 10.319 -0.181 7.726 1.00 62.41 H new ATOM 0 HH12 ARG A 23 11.759 0.515 8.476 1.00 62.41 H new ATOM 0 HH21 ARG A 23 13.050 -2.568 9.544 1.00 25.25 H new ATOM 0 HH22 ARG A 23 13.282 -0.817 9.489 1.00 25.25 H new ATOM 397 N ARG A 24 6.166 -4.974 10.222 1.00 42.33 N ATOM 398 CA ARG A 24 5.986 -4.809 11.670 1.00 32.42 C ATOM 399 C ARG A 24 7.317 -4.343 12.280 1.00 64.23 C ATOM 400 O ARG A 24 8.211 -5.159 12.538 1.00 55.22 O ATOM 401 CB ARG A 24 5.510 -6.130 12.332 1.00 12.44 C ATOM 402 CG ARG A 24 4.177 -6.691 11.777 1.00 75.00 C ATOM 403 CD ARG A 24 3.668 -7.899 12.581 1.00 34.02 C ATOM 404 NE ARG A 24 3.455 -7.548 14.002 1.00 41.42 N ATOM 405 CZ ARG A 24 2.693 -8.223 14.877 1.00 71.24 C ATOM 406 NH1 ARG A 24 2.023 -9.315 14.514 1.00 54.50 N ATOM 407 NH2 ARG A 24 2.577 -7.771 16.115 1.00 4.11 N ATOM 0 H ARG A 24 6.625 -5.848 9.965 1.00 42.33 H new ATOM 0 HA ARG A 24 5.214 -4.062 11.854 1.00 32.42 H new ATOM 0 HB2 ARG A 24 6.287 -6.884 12.204 1.00 12.44 H new ATOM 0 HB3 ARG A 24 5.400 -5.964 13.404 1.00 12.44 H new ATOM 0 HG2 ARG A 24 3.422 -5.905 11.790 1.00 75.00 H new ATOM 0 HG3 ARG A 24 4.315 -6.983 10.736 1.00 75.00 H new ATOM 0 HD2 ARG A 24 2.734 -8.258 12.149 1.00 34.02 H new ATOM 0 HD3 ARG A 24 4.387 -8.715 12.510 1.00 34.02 H new ATOM 0 HE ARG A 24 3.931 -6.716 14.349 1.00 41.42 H new ATOM 0 HH11 ARG A 24 2.083 -9.654 13.554 1.00 54.50 H new ATOM 0 HH12 ARG A 24 1.450 -9.812 15.196 1.00 54.50 H new ATOM 0 HH21 ARG A 24 3.063 -6.919 16.395 1.00 4.11 H new ATOM 0 HH22 ARG A 24 2.001 -8.274 16.790 1.00 4.11 H new ATOM 421 N THR A 25 7.455 -3.024 12.467 1.00 11.42 N ATOM 422 CA THR A 25 8.662 -2.412 13.040 1.00 33.43 C ATOM 423 C THR A 25 8.245 -1.399 14.110 1.00 13.01 C ATOM 424 O THR A 25 7.219 -0.717 13.949 1.00 74.42 O ATOM 425 CB THR A 25 9.564 -1.752 11.938 1.00 13.23 C ATOM 426 OG1 THR A 25 10.750 -1.197 12.529 1.00 54.31 O ATOM 427 CG2 THR A 25 8.835 -0.662 11.132 1.00 54.13 C ATOM 0 H THR A 25 6.730 -2.348 12.224 1.00 11.42 H new ATOM 0 HA THR A 25 9.270 -3.191 13.500 1.00 33.43 H new ATOM 0 HB THR A 25 9.827 -2.548 11.241 1.00 13.23 H new ATOM 0 HG1 THR A 25 11.304 -0.790 11.830 1.00 54.31 H new ATOM 0 HG21 THR A 25 9.513 -0.246 10.387 1.00 54.13 H new ATOM 0 HG22 THR A 25 7.969 -1.097 10.632 1.00 54.13 H new ATOM 0 HG23 THR A 25 8.506 0.129 11.805 1.00 54.13 H new ATOM 435 N GLN A 26 9.005 -1.380 15.231 1.00 31.31 N ATOM 436 CA GLN A 26 8.764 -0.516 16.412 1.00 53.44 C ATOM 437 C GLN A 26 7.483 -0.936 17.168 1.00 2.33 C ATOM 438 O GLN A 26 6.948 -0.169 17.972 1.00 2.22 O ATOM 439 CB GLN A 26 8.725 1.000 16.028 1.00 13.20 C ATOM 440 CG GLN A 26 10.041 1.559 15.441 1.00 73.00 C ATOM 441 CD GLN A 26 11.203 1.528 16.436 1.00 20.44 C ATOM 442 OE1 GLN A 26 11.967 0.567 16.499 1.00 54.12 O ATOM 443 NE2 GLN A 26 11.339 2.583 17.227 1.00 43.31 N ATOM 0 H GLN A 26 9.823 -1.980 15.342 1.00 31.31 H new ATOM 0 HA GLN A 26 9.608 -0.656 17.087 1.00 53.44 H new ATOM 0 HB2 GLN A 26 7.926 1.155 15.303 1.00 13.20 H new ATOM 0 HB3 GLN A 26 8.466 1.578 16.915 1.00 13.20 H new ATOM 0 HG2 GLN A 26 10.312 0.981 14.557 1.00 73.00 H new ATOM 0 HG3 GLN A 26 9.878 2.586 15.113 1.00 73.00 H new ATOM 0 HE21 GLN A 26 10.689 3.365 17.150 1.00 43.31 H new ATOM 0 HE22 GLN A 26 12.094 2.613 17.912 1.00 43.31 H new ATOM 452 N GLY A 27 7.011 -2.176 16.912 1.00 13.13 N ATOM 453 CA GLY A 27 5.758 -2.681 17.490 1.00 32.50 C ATOM 454 C GLY A 27 4.516 -2.134 16.795 1.00 43.21 C ATOM 455 O GLY A 27 3.386 -2.394 17.227 1.00 64.33 O ATOM 0 H GLY A 27 7.486 -2.844 16.305 1.00 13.13 H new ATOM 0 HA2 GLY A 27 5.750 -3.769 17.431 1.00 32.50 H new ATOM 0 HA3 GLY A 27 5.721 -2.419 18.547 1.00 32.50 H new ATOM 459 N LYS A 28 4.739 -1.392 15.694 1.00 30.44 N ATOM 460 CA LYS A 28 3.688 -0.760 14.876 1.00 4.22 C ATOM 461 C LYS A 28 3.531 -1.528 13.553 1.00 11.52 C ATOM 462 O LYS A 28 4.196 -2.552 13.339 1.00 14.24 O ATOM 463 CB LYS A 28 4.091 0.713 14.600 1.00 32.43 C ATOM 464 CG LYS A 28 4.326 1.555 15.872 1.00 3.24 C ATOM 465 CD LYS A 28 4.978 2.917 15.565 1.00 34.11 C ATOM 466 CE LYS A 28 5.165 3.786 16.820 1.00 34.21 C ATOM 467 NZ LYS A 28 3.863 4.162 17.435 1.00 11.44 N ATOM 0 H LYS A 28 5.679 -1.211 15.340 1.00 30.44 H new ATOM 0 HA LYS A 28 2.735 -0.783 15.405 1.00 4.22 H new ATOM 0 HB2 LYS A 28 5.000 0.722 13.999 1.00 32.43 H new ATOM 0 HB3 LYS A 28 3.310 1.186 14.004 1.00 32.43 H new ATOM 0 HG2 LYS A 28 3.374 1.717 16.378 1.00 3.24 H new ATOM 0 HG3 LYS A 28 4.962 0.998 16.560 1.00 3.24 H new ATOM 0 HD2 LYS A 28 5.948 2.753 15.095 1.00 34.11 H new ATOM 0 HD3 LYS A 28 4.362 3.455 14.845 1.00 34.11 H new ATOM 0 HE2 LYS A 28 5.768 3.245 17.549 1.00 34.21 H new ATOM 0 HE3 LYS A 28 5.716 4.689 16.557 1.00 34.21 H new ATOM 0 HZ1 LYS A 28 4.025 4.855 18.194 1.00 11.44 H new ATOM 0 HZ2 LYS A 28 3.245 4.580 16.711 1.00 11.44 H new ATOM 0 HZ3 LYS A 28 3.409 3.315 17.831 1.00 11.44 H new ATOM 481 N ILE A 29 2.659 -1.026 12.667 1.00 15.04 N ATOM 482 CA ILE A 29 2.429 -1.624 11.342 1.00 32.44 C ATOM 483 C ILE A 29 2.501 -0.517 10.262 1.00 23.13 C ATOM 484 O ILE A 29 1.897 0.558 10.397 1.00 65.21 O ATOM 485 CB ILE A 29 1.058 -2.415 11.298 1.00 34.04 C ATOM 486 CG1 ILE A 29 0.866 -3.185 9.944 1.00 72.31 C ATOM 487 CG2 ILE A 29 -0.139 -1.489 11.599 1.00 24.53 C ATOM 488 CD1 ILE A 29 1.896 -4.282 9.692 1.00 32.14 C ATOM 0 H ILE A 29 2.094 -0.196 12.847 1.00 15.04 H new ATOM 0 HA ILE A 29 3.210 -2.356 11.136 1.00 32.44 H new ATOM 0 HB ILE A 29 1.098 -3.166 12.087 1.00 34.04 H new ATOM 0 HG12 ILE A 29 -0.130 -3.628 9.930 1.00 72.31 H new ATOM 0 HG13 ILE A 29 0.908 -2.469 9.123 1.00 72.31 H new ATOM 0 HG21 ILE A 29 -1.063 -2.065 11.560 1.00 24.53 H new ATOM 0 HG22 ILE A 29 -0.023 -1.055 12.592 1.00 24.53 H new ATOM 0 HG23 ILE A 29 -0.177 -0.691 10.857 1.00 24.53 H new ATOM 0 HD11 ILE A 29 1.689 -4.762 8.736 1.00 32.14 H new ATOM 0 HD12 ILE A 29 2.895 -3.846 9.671 1.00 32.14 H new ATOM 0 HD13 ILE A 29 1.841 -5.023 10.490 1.00 32.14 H new ATOM 500 N PHE A 30 3.305 -0.776 9.222 1.00 34.05 N ATOM 501 CA PHE A 30 3.586 0.176 8.135 1.00 51.30 C ATOM 502 C PHE A 30 3.374 -0.520 6.785 1.00 42.44 C ATOM 503 O PHE A 30 3.897 -1.617 6.566 1.00 54.32 O ATOM 504 CB PHE A 30 5.054 0.687 8.218 1.00 14.21 C ATOM 505 CG PHE A 30 5.363 1.537 9.452 1.00 40.32 C ATOM 506 CD1 PHE A 30 5.749 0.945 10.654 1.00 41.20 C ATOM 507 CD2 PHE A 30 5.273 2.926 9.403 1.00 41.35 C ATOM 508 CE1 PHE A 30 6.029 1.713 11.763 1.00 22.32 C ATOM 509 CE2 PHE A 30 5.555 3.692 10.516 1.00 2.51 C ATOM 510 CZ PHE A 30 5.935 3.086 11.695 1.00 24.05 C ATOM 0 H PHE A 30 3.787 -1.668 9.109 1.00 34.05 H new ATOM 0 HA PHE A 30 2.910 1.026 8.232 1.00 51.30 H new ATOM 0 HB2 PHE A 30 5.725 -0.172 8.207 1.00 14.21 H new ATOM 0 HB3 PHE A 30 5.272 1.273 7.325 1.00 14.21 H new ATOM 0 HD1 PHE A 30 5.830 -0.130 10.716 1.00 41.20 H new ATOM 0 HD2 PHE A 30 4.979 3.409 8.483 1.00 41.35 H new ATOM 0 HE1 PHE A 30 6.323 1.238 12.687 1.00 22.32 H new ATOM 0 HE2 PHE A 30 5.478 4.768 10.463 1.00 2.51 H new ATOM 0 HZ PHE A 30 6.159 3.687 12.564 1.00 24.05 H new ATOM 520 N LEU A 31 2.613 0.126 5.888 1.00 23.12 N ATOM 521 CA LEU A 31 2.433 -0.341 4.515 1.00 33.42 C ATOM 522 C LEU A 31 3.484 0.337 3.618 1.00 24.23 C ATOM 523 O LEU A 31 3.327 1.495 3.227 1.00 32.43 O ATOM 524 CB LEU A 31 0.996 -0.038 4.008 1.00 61.54 C ATOM 525 CG LEU A 31 0.669 -0.607 2.589 1.00 41.23 C ATOM 526 CD1 LEU A 31 0.732 -2.143 2.587 1.00 11.23 C ATOM 527 CD2 LEU A 31 -0.682 -0.093 2.063 1.00 70.30 C ATOM 0 H LEU A 31 2.107 0.986 6.099 1.00 23.12 H new ATOM 0 HA LEU A 31 2.568 -1.422 4.481 1.00 33.42 H new ATOM 0 HB2 LEU A 31 0.280 -0.446 4.722 1.00 61.54 H new ATOM 0 HB3 LEU A 31 0.851 1.042 3.993 1.00 61.54 H new ATOM 0 HG LEU A 31 1.433 -0.241 1.903 1.00 41.23 H new ATOM 0 HD11 LEU A 31 0.501 -2.515 1.589 1.00 11.23 H new ATOM 0 HD12 LEU A 31 1.733 -2.466 2.872 1.00 11.23 H new ATOM 0 HD13 LEU A 31 0.007 -2.538 3.299 1.00 11.23 H new ATOM 0 HD21 LEU A 31 -0.871 -0.512 1.075 1.00 70.30 H new ATOM 0 HD22 LEU A 31 -1.477 -0.397 2.744 1.00 70.30 H new ATOM 0 HD23 LEU A 31 -0.657 0.995 1.997 1.00 70.30 H new ATOM 539 N GLN A 32 4.561 -0.392 3.308 1.00 34.44 N ATOM 540 CA GLN A 32 5.654 0.119 2.475 1.00 13.11 C ATOM 541 C GLN A 32 5.314 -0.082 0.993 1.00 23.22 C ATOM 542 O GLN A 32 5.197 -1.222 0.514 1.00 32.41 O ATOM 543 CB GLN A 32 6.985 -0.592 2.816 1.00 5.04 C ATOM 544 CG GLN A 32 7.532 -0.294 4.228 1.00 43.41 C ATOM 545 CD GLN A 32 8.919 -0.890 4.467 1.00 3.53 C ATOM 546 OE1 GLN A 32 9.264 -1.946 3.934 1.00 55.12 O ATOM 547 NE2 GLN A 32 9.740 -0.206 5.251 1.00 2.44 N ATOM 0 H GLN A 32 4.699 -1.351 3.627 1.00 34.44 H new ATOM 0 HA GLN A 32 5.775 1.183 2.676 1.00 13.11 H new ATOM 0 HB2 GLN A 32 6.842 -1.668 2.716 1.00 5.04 H new ATOM 0 HB3 GLN A 32 7.736 -0.300 2.081 1.00 5.04 H new ATOM 0 HG2 GLN A 32 7.576 0.785 4.375 1.00 43.41 H new ATOM 0 HG3 GLN A 32 6.839 -0.689 4.971 1.00 43.41 H new ATOM 0 HE21 GLN A 32 9.428 0.666 5.679 1.00 2.44 H new ATOM 0 HE22 GLN A 32 10.684 -0.551 5.426 1.00 2.44 H new ATOM 556 N VAL A 33 5.109 1.047 0.302 1.00 42.43 N ATOM 557 CA VAL A 33 4.896 1.078 -1.140 1.00 4.42 C ATOM 558 C VAL A 33 6.256 0.950 -1.851 1.00 43.41 C ATOM 559 O VAL A 33 7.066 1.888 -1.844 1.00 65.13 O ATOM 560 CB VAL A 33 4.177 2.398 -1.603 1.00 71.33 C ATOM 561 CG1 VAL A 33 3.828 2.331 -3.107 1.00 1.54 C ATOM 562 CG2 VAL A 33 2.918 2.702 -0.749 1.00 44.03 C ATOM 0 H VAL A 33 5.087 1.969 0.737 1.00 42.43 H new ATOM 0 HA VAL A 33 4.246 0.244 -1.405 1.00 4.42 H new ATOM 0 HB VAL A 33 4.873 3.222 -1.449 1.00 71.33 H new ATOM 0 HG11 VAL A 33 3.331 3.254 -3.407 1.00 1.54 H new ATOM 0 HG12 VAL A 33 4.742 2.206 -3.687 1.00 1.54 H new ATOM 0 HG13 VAL A 33 3.164 1.486 -3.289 1.00 1.54 H new ATOM 0 HG21 VAL A 33 2.452 3.622 -1.102 1.00 44.03 H new ATOM 0 HG22 VAL A 33 2.210 1.878 -0.839 1.00 44.03 H new ATOM 0 HG23 VAL A 33 3.207 2.820 0.296 1.00 44.03 H new ATOM 572 N MET A 34 6.500 -0.239 -2.403 1.00 33.43 N ATOM 573 CA MET A 34 7.712 -0.573 -3.165 1.00 32.42 C ATOM 574 C MET A 34 7.805 0.240 -4.472 1.00 25.14 C ATOM 575 O MET A 34 6.793 0.633 -5.048 1.00 65.02 O ATOM 576 CB MET A 34 7.707 -2.092 -3.488 1.00 42.33 C ATOM 577 CG MET A 34 7.614 -3.039 -2.265 1.00 52.15 C ATOM 578 SD MET A 34 9.179 -3.231 -1.364 1.00 51.12 S ATOM 579 CE MET A 34 9.103 -1.943 -0.126 1.00 35.42 C ATOM 0 H MET A 34 5.846 -1.019 -2.333 1.00 33.43 H new ATOM 0 HA MET A 34 8.580 -0.320 -2.557 1.00 32.42 H new ATOM 0 HB2 MET A 34 6.867 -2.301 -4.151 1.00 42.33 H new ATOM 0 HB3 MET A 34 8.616 -2.330 -4.040 1.00 42.33 H new ATOM 0 HG2 MET A 34 6.856 -2.659 -1.580 1.00 52.15 H new ATOM 0 HG3 MET A 34 7.277 -4.019 -2.602 1.00 52.15 H new ATOM 0 HE1 MET A 34 10.085 -1.482 -0.020 1.00 35.42 H new ATOM 0 HE2 MET A 34 8.378 -1.188 -0.430 1.00 35.42 H new ATOM 0 HE3 MET A 34 8.800 -2.373 0.828 1.00 35.42 H new ATOM 589 N TRP A 35 9.042 0.465 -4.922 1.00 1.41 N ATOM 590 CA TRP A 35 9.354 1.145 -6.201 1.00 1.44 C ATOM 591 C TRP A 35 9.066 0.241 -7.415 1.00 20.40 C ATOM 592 O TRP A 35 8.937 0.727 -8.549 1.00 74.25 O ATOM 593 CB TRP A 35 10.826 1.620 -6.191 1.00 75.24 C ATOM 594 CG TRP A 35 11.833 0.545 -5.817 1.00 74.32 C ATOM 595 CD1 TRP A 35 12.534 -0.266 -6.666 1.00 54.42 C ATOM 596 CD2 TRP A 35 12.241 0.166 -4.483 1.00 42.23 C ATOM 597 NE1 TRP A 35 13.338 -1.112 -5.955 1.00 64.44 N ATOM 598 CE2 TRP A 35 13.174 -0.874 -4.614 1.00 5.21 C ATOM 599 CE3 TRP A 35 11.905 0.609 -3.197 1.00 22.20 C ATOM 600 CZ2 TRP A 35 13.773 -1.484 -3.513 1.00 22.30 C ATOM 601 CZ3 TRP A 35 12.492 0.000 -2.103 1.00 51.33 C ATOM 602 CH2 TRP A 35 13.421 -1.035 -2.268 1.00 51.35 C ATOM 0 H TRP A 35 9.874 0.179 -4.407 1.00 1.41 H new ATOM 0 HA TRP A 35 8.702 2.013 -6.297 1.00 1.44 H new ATOM 0 HB2 TRP A 35 11.076 2.007 -7.179 1.00 75.24 H new ATOM 0 HB3 TRP A 35 10.922 2.449 -5.490 1.00 75.24 H new ATOM 0 HD1 TRP A 35 12.463 -0.241 -7.743 1.00 54.42 H new ATOM 0 HE1 TRP A 35 13.962 -1.811 -6.358 1.00 64.44 H new ATOM 0 HE3 TRP A 35 11.198 1.414 -3.062 1.00 22.20 H new ATOM 0 HZ2 TRP A 35 14.489 -2.283 -3.637 1.00 22.30 H new ATOM 0 HZ3 TRP A 35 12.230 0.327 -1.108 1.00 51.33 H new ATOM 0 HH2 TRP A 35 13.869 -1.488 -1.396 1.00 51.35 H new ATOM 613 N LYS A 36 8.981 -1.071 -7.151 1.00 63.23 N ATOM 614 CA LYS A 36 8.648 -2.086 -8.157 1.00 14.40 C ATOM 615 C LYS A 36 7.146 -2.018 -8.469 1.00 1.41 C ATOM 616 O LYS A 36 6.322 -2.255 -7.593 1.00 31.44 O ATOM 617 CB LYS A 36 9.034 -3.493 -7.632 1.00 73.44 C ATOM 618 CG LYS A 36 10.516 -3.638 -7.234 1.00 74.43 C ATOM 619 CD LYS A 36 10.816 -5.005 -6.573 1.00 55.04 C ATOM 620 CE LYS A 36 12.258 -5.121 -6.074 1.00 64.11 C ATOM 621 NZ LYS A 36 12.487 -6.382 -5.326 1.00 4.34 N ATOM 0 H LYS A 36 9.144 -1.460 -6.222 1.00 63.23 H new ATOM 0 HA LYS A 36 9.208 -1.895 -9.072 1.00 14.40 H new ATOM 0 HB2 LYS A 36 8.413 -3.728 -6.767 1.00 73.44 H new ATOM 0 HB3 LYS A 36 8.803 -4.231 -8.400 1.00 73.44 H new ATOM 0 HG2 LYS A 36 11.141 -3.520 -8.119 1.00 74.43 H new ATOM 0 HG3 LYS A 36 10.785 -2.837 -6.545 1.00 74.43 H new ATOM 0 HD2 LYS A 36 10.134 -5.156 -5.736 1.00 55.04 H new ATOM 0 HD3 LYS A 36 10.620 -5.801 -7.291 1.00 55.04 H new ATOM 0 HE2 LYS A 36 12.940 -5.074 -6.923 1.00 64.11 H new ATOM 0 HE3 LYS A 36 12.489 -4.271 -5.432 1.00 64.11 H new ATOM 0 HZ1 LYS A 36 13.476 -6.421 -5.006 1.00 4.34 H new ATOM 0 HZ2 LYS A 36 11.854 -6.416 -4.501 1.00 4.34 H new ATOM 0 HZ3 LYS A 36 12.292 -7.194 -5.946 1.00 4.34 H new ATOM 635 N TYR A 37 6.811 -1.666 -9.711 1.00 55.52 N ATOM 636 CA TYR A 37 5.411 -1.528 -10.186 1.00 31.01 C ATOM 637 C TYR A 37 5.091 -2.653 -11.179 1.00 44.11 C ATOM 638 O TYR A 37 6.008 -3.290 -11.673 1.00 54.31 O ATOM 639 CB TYR A 37 5.206 -0.117 -10.813 1.00 33.02 C ATOM 640 CG TYR A 37 6.355 0.369 -11.732 1.00 74.43 C ATOM 641 CD1 TYR A 37 6.593 -0.213 -12.976 1.00 42.41 C ATOM 642 CD2 TYR A 37 7.215 1.396 -11.340 1.00 73.45 C ATOM 643 CE1 TYR A 37 7.618 0.216 -13.792 1.00 50.54 C ATOM 644 CE2 TYR A 37 8.241 1.821 -12.153 1.00 52.14 C ATOM 645 CZ TYR A 37 8.440 1.225 -13.378 1.00 60.22 C ATOM 646 OH TYR A 37 9.474 1.638 -14.187 1.00 71.22 O ATOM 0 H TYR A 37 7.503 -1.464 -10.432 1.00 55.52 H new ATOM 0 HA TYR A 37 4.719 -1.619 -9.348 1.00 31.01 H new ATOM 0 HB2 TYR A 37 4.280 -0.123 -11.388 1.00 33.02 H new ATOM 0 HB3 TYR A 37 5.076 0.606 -10.007 1.00 33.02 H new ATOM 0 HD1 TYR A 37 5.958 -1.021 -13.309 1.00 42.41 H new ATOM 0 HD2 TYR A 37 7.072 1.867 -10.379 1.00 73.45 H new ATOM 0 HE1 TYR A 37 7.771 -0.245 -14.757 1.00 50.54 H new ATOM 0 HE2 TYR A 37 8.890 2.622 -11.830 1.00 52.14 H new ATOM 0 HH TYR A 37 9.963 2.364 -13.747 1.00 71.22 H new ATOM 656 N LEU A 38 3.795 -2.898 -11.496 1.00 65.13 N ATOM 657 CA LEU A 38 3.400 -4.025 -12.386 1.00 41.13 C ATOM 658 C LEU A 38 3.865 -3.793 -13.844 1.00 31.22 C ATOM 659 O LEU A 38 4.088 -4.752 -14.590 1.00 64.23 O ATOM 660 CB LEU A 38 1.874 -4.284 -12.346 1.00 50.03 C ATOM 661 CG LEU A 38 1.379 -5.539 -13.152 1.00 73.31 C ATOM 662 CD1 LEU A 38 2.025 -6.845 -12.640 1.00 72.42 C ATOM 663 CD2 LEU A 38 -0.152 -5.637 -13.155 1.00 1.22 C ATOM 0 H LEU A 38 3.013 -2.340 -11.155 1.00 65.13 H new ATOM 0 HA LEU A 38 3.904 -4.913 -12.004 1.00 41.13 H new ATOM 0 HB2 LEU A 38 1.570 -4.399 -11.306 1.00 50.03 H new ATOM 0 HB3 LEU A 38 1.363 -3.402 -12.732 1.00 50.03 H new ATOM 0 HG LEU A 38 1.703 -5.403 -14.184 1.00 73.31 H new ATOM 0 HD11 LEU A 38 1.655 -7.687 -13.225 1.00 72.42 H new ATOM 0 HD12 LEU A 38 3.108 -6.780 -12.743 1.00 72.42 H new ATOM 0 HD13 LEU A 38 1.768 -6.991 -11.591 1.00 72.42 H new ATOM 0 HD21 LEU A 38 -0.459 -6.516 -13.721 1.00 1.22 H new ATOM 0 HD22 LEU A 38 -0.513 -5.721 -12.130 1.00 1.22 H new ATOM 0 HD23 LEU A 38 -0.573 -4.743 -13.616 1.00 1.22 H new ATOM 675 N GLU A 39 4.073 -2.515 -14.214 1.00 34.31 N ATOM 676 CA GLU A 39 4.530 -2.111 -15.564 1.00 72.31 C ATOM 677 C GLU A 39 6.020 -2.514 -15.792 1.00 11.25 C ATOM 678 O GLU A 39 6.558 -2.327 -16.889 1.00 60.20 O ATOM 679 CB GLU A 39 4.353 -0.568 -15.760 1.00 34.52 C ATOM 680 CG GLU A 39 2.909 -0.002 -15.591 1.00 73.21 C ATOM 681 CD GLU A 39 2.344 -0.091 -14.157 1.00 22.00 C ATOM 682 OE1 GLU A 39 2.931 0.524 -13.249 1.00 34.41 O ATOM 683 OE2 GLU A 39 1.348 -0.817 -13.930 1.00 22.31 O ATOM 0 H GLU A 39 3.929 -1.727 -13.583 1.00 34.31 H new ATOM 0 HA GLU A 39 3.917 -2.633 -16.299 1.00 72.31 H new ATOM 0 HB2 GLU A 39 5.004 -0.058 -15.050 1.00 34.52 H new ATOM 0 HB3 GLU A 39 4.705 -0.309 -16.758 1.00 34.52 H new ATOM 0 HG2 GLU A 39 2.904 1.042 -15.905 1.00 73.21 H new ATOM 0 HG3 GLU A 39 2.241 -0.540 -16.264 1.00 73.21 H new ATOM 690 N GLN A 40 6.668 -3.040 -14.719 1.00 30.22 N ATOM 691 CA GLN A 40 8.056 -3.532 -14.736 1.00 4.31 C ATOM 692 C GLN A 40 8.209 -4.676 -15.755 1.00 60.15 C ATOM 693 O GLN A 40 7.401 -5.617 -15.759 1.00 14.40 O ATOM 694 CB GLN A 40 8.475 -4.029 -13.300 1.00 64.30 C ATOM 695 CG GLN A 40 9.901 -3.672 -12.853 1.00 50.22 C ATOM 696 CD GLN A 40 10.082 -2.172 -12.620 1.00 0.41 C ATOM 697 OE1 GLN A 40 9.874 -1.670 -11.512 1.00 0.24 O ATOM 698 NE2 GLN A 40 10.436 -1.443 -13.663 1.00 21.12 N ATOM 0 H GLN A 40 6.225 -3.132 -13.805 1.00 30.22 H new ATOM 0 HA GLN A 40 8.710 -2.712 -15.031 1.00 4.31 H new ATOM 0 HB2 GLN A 40 7.774 -3.615 -12.575 1.00 64.30 H new ATOM 0 HB3 GLN A 40 8.366 -5.113 -13.266 1.00 64.30 H new ATOM 0 HG2 GLN A 40 10.136 -4.210 -11.935 1.00 50.22 H new ATOM 0 HG3 GLN A 40 10.610 -4.007 -13.610 1.00 50.22 H new ATOM 0 HE21 GLN A 40 10.600 -1.890 -14.565 1.00 21.12 H new ATOM 0 HE22 GLN A 40 10.545 -0.433 -13.566 1.00 21.12 H new ATOM 707 N ALA A 41 9.251 -4.592 -16.599 1.00 43.43 N ATOM 708 CA ALA A 41 9.573 -5.641 -17.596 1.00 2.15 C ATOM 709 C ALA A 41 9.953 -6.976 -16.923 1.00 33.55 C ATOM 710 O ALA A 41 9.874 -8.036 -17.550 1.00 74.50 O ATOM 711 CB ALA A 41 10.693 -5.161 -18.536 1.00 21.55 C ATOM 0 H ALA A 41 9.895 -3.801 -16.614 1.00 43.43 H new ATOM 0 HA ALA A 41 8.675 -5.824 -18.187 1.00 2.15 H new ATOM 0 HB1 ALA A 41 10.918 -5.942 -19.262 1.00 21.55 H new ATOM 0 HB2 ALA A 41 10.368 -4.262 -19.059 1.00 21.55 H new ATOM 0 HB3 ALA A 41 11.587 -4.939 -17.953 1.00 21.55 H new ATOM 717 N SER A 42 10.382 -6.899 -15.648 1.00 1.32 N ATOM 718 CA SER A 42 10.646 -8.072 -14.805 1.00 75.23 C ATOM 719 C SER A 42 10.035 -7.857 -13.407 1.00 44.44 C ATOM 720 O SER A 42 10.755 -7.652 -12.418 1.00 12.31 O ATOM 721 CB SER A 42 12.171 -8.347 -14.718 1.00 74.33 C ATOM 722 OG SER A 42 12.742 -8.462 -16.009 1.00 2.00 O ATOM 0 H SER A 42 10.555 -6.012 -15.175 1.00 1.32 H new ATOM 0 HA SER A 42 10.178 -8.949 -15.253 1.00 75.23 H new ATOM 0 HB2 SER A 42 12.659 -7.540 -14.172 1.00 74.33 H new ATOM 0 HB3 SER A 42 12.347 -9.264 -14.156 1.00 74.33 H new ATOM 0 HG SER A 42 13.703 -8.634 -15.927 1.00 2.00 H new ATOM 728 N PHE A 43 8.683 -7.837 -13.343 1.00 32.45 N ATOM 729 CA PHE A 43 7.958 -7.872 -12.064 1.00 3.35 C ATOM 730 C PHE A 43 7.894 -9.343 -11.585 1.00 53.34 C ATOM 731 O PHE A 43 7.401 -10.190 -12.331 1.00 25.15 O ATOM 732 CB PHE A 43 6.530 -7.257 -12.196 1.00 52.55 C ATOM 733 CG PHE A 43 5.884 -6.937 -10.838 1.00 74.31 C ATOM 734 CD1 PHE A 43 6.335 -5.853 -10.086 1.00 32.45 C ATOM 735 CD2 PHE A 43 4.847 -7.708 -10.311 1.00 33.42 C ATOM 736 CE1 PHE A 43 5.773 -5.549 -8.869 1.00 15.00 C ATOM 737 CE2 PHE A 43 4.290 -7.404 -9.090 1.00 63.41 C ATOM 738 CZ PHE A 43 4.749 -6.321 -8.367 1.00 4.44 C ATOM 0 H PHE A 43 8.079 -7.797 -14.164 1.00 32.45 H new ATOM 0 HA PHE A 43 8.486 -7.265 -11.329 1.00 3.35 H new ATOM 0 HB2 PHE A 43 6.587 -6.344 -12.789 1.00 52.55 H new ATOM 0 HB3 PHE A 43 5.891 -7.951 -12.741 1.00 52.55 H new ATOM 0 HD1 PHE A 43 7.140 -5.242 -10.466 1.00 32.45 H new ATOM 0 HD2 PHE A 43 4.476 -8.555 -10.869 1.00 33.42 H new ATOM 0 HE1 PHE A 43 6.135 -4.702 -8.305 1.00 15.00 H new ATOM 0 HE2 PHE A 43 3.491 -8.015 -8.696 1.00 63.41 H new ATOM 0 HZ PHE A 43 4.307 -6.080 -7.412 1.00 4.44 H new ATOM 748 N PRO A 44 8.426 -9.677 -10.350 1.00 30.13 N ATOM 749 CA PRO A 44 8.528 -11.094 -9.830 1.00 41.51 C ATOM 750 C PRO A 44 7.190 -11.887 -9.776 1.00 74.33 C ATOM 751 O PRO A 44 7.191 -13.108 -9.572 1.00 72.33 O ATOM 752 CB PRO A 44 9.120 -10.899 -8.410 1.00 11.24 C ATOM 753 CG PRO A 44 9.849 -9.587 -8.476 1.00 3.44 C ATOM 754 CD PRO A 44 9.005 -8.709 -9.372 1.00 2.23 C ATOM 0 HA PRO A 44 9.131 -11.705 -10.501 1.00 41.51 H new ATOM 0 HB2 PRO A 44 8.335 -10.878 -7.654 1.00 11.24 H new ATOM 0 HB3 PRO A 44 9.795 -11.714 -8.147 1.00 11.24 H new ATOM 0 HG2 PRO A 44 9.959 -9.147 -7.485 1.00 3.44 H new ATOM 0 HG3 PRO A 44 10.853 -9.714 -8.882 1.00 3.44 H new ATOM 0 HD2 PRO A 44 8.228 -8.190 -8.811 1.00 2.23 H new ATOM 0 HD3 PRO A 44 9.604 -7.945 -9.868 1.00 2.23 H new ATOM 762 N MET A 45 6.062 -11.184 -9.957 1.00 30.42 N ATOM 763 CA MET A 45 4.711 -11.775 -9.945 1.00 61.23 C ATOM 764 C MET A 45 3.978 -11.453 -11.262 1.00 42.23 C ATOM 765 O MET A 45 4.306 -10.477 -11.940 1.00 74.15 O ATOM 766 CB MET A 45 3.932 -11.216 -8.722 1.00 25.13 C ATOM 767 CG MET A 45 4.434 -11.730 -7.348 1.00 33.12 C ATOM 768 SD MET A 45 4.036 -10.639 -5.961 1.00 24.02 S ATOM 769 CE MET A 45 2.375 -10.106 -6.339 1.00 50.21 C ATOM 0 H MET A 45 6.060 -10.177 -10.118 1.00 30.42 H new ATOM 0 HA MET A 45 4.779 -12.860 -9.860 1.00 61.23 H new ATOM 0 HB2 MET A 45 3.996 -10.128 -8.734 1.00 25.13 H new ATOM 0 HB3 MET A 45 2.879 -11.475 -8.829 1.00 25.13 H new ATOM 0 HG2 MET A 45 4.001 -12.712 -7.159 1.00 33.12 H new ATOM 0 HG3 MET A 45 5.515 -11.862 -7.394 1.00 33.12 H new ATOM 0 HE1 MET A 45 1.859 -9.840 -5.416 1.00 50.21 H new ATOM 0 HE2 MET A 45 2.412 -9.238 -6.997 1.00 50.21 H new ATOM 0 HE3 MET A 45 1.838 -10.914 -6.835 1.00 50.21 H new ATOM 779 N ASN A 46 2.985 -12.293 -11.611 1.00 12.12 N ATOM 780 CA ASN A 46 2.117 -12.074 -12.792 1.00 21.32 C ATOM 781 C ASN A 46 1.067 -10.979 -12.499 1.00 65.31 C ATOM 782 O ASN A 46 0.911 -10.541 -11.352 1.00 64.04 O ATOM 783 CB ASN A 46 1.396 -13.391 -13.189 1.00 11.11 C ATOM 784 CG ASN A 46 2.327 -14.576 -13.497 1.00 21.43 C ATOM 785 OD1 ASN A 46 3.427 -14.402 -14.007 1.00 54.10 O ATOM 786 ND2 ASN A 46 1.885 -15.791 -13.193 1.00 11.54 N ATOM 0 H ASN A 46 2.760 -13.139 -11.088 1.00 12.12 H new ATOM 0 HA ASN A 46 2.748 -11.749 -13.619 1.00 21.32 H new ATOM 0 HB2 ASN A 46 0.724 -13.677 -12.380 1.00 11.11 H new ATOM 0 HB3 ASN A 46 0.776 -13.198 -14.065 1.00 11.11 H new ATOM 0 HD21 ASN A 46 2.466 -16.607 -13.384 1.00 11.54 H new ATOM 0 HD22 ASN A 46 0.965 -15.908 -12.769 1.00 11.54 H new ATOM 793 N GLU A 47 0.337 -10.573 -13.549 1.00 24.42 N ATOM 794 CA GLU A 47 -0.710 -9.537 -13.473 1.00 43.22 C ATOM 795 C GLU A 47 -1.872 -9.988 -12.561 1.00 34.32 C ATOM 796 O GLU A 47 -2.395 -9.194 -11.767 1.00 22.15 O ATOM 797 CB GLU A 47 -1.227 -9.229 -14.900 1.00 21.13 C ATOM 798 CG GLU A 47 -0.131 -8.732 -15.875 1.00 12.23 C ATOM 799 CD GLU A 47 -0.612 -8.627 -17.333 1.00 1.44 C ATOM 800 OE1 GLU A 47 -0.554 -9.636 -18.067 1.00 74.50 O ATOM 801 OE2 GLU A 47 -1.085 -7.548 -17.744 1.00 32.42 O ATOM 0 H GLU A 47 0.457 -10.958 -14.486 1.00 24.42 H new ATOM 0 HA GLU A 47 -0.283 -8.633 -13.039 1.00 43.22 H new ATOM 0 HB2 GLU A 47 -1.684 -10.129 -15.312 1.00 21.13 H new ATOM 0 HB3 GLU A 47 -2.011 -8.474 -14.836 1.00 21.13 H new ATOM 0 HG2 GLU A 47 0.222 -7.755 -15.545 1.00 12.23 H new ATOM 0 HG3 GLU A 47 0.721 -9.411 -15.829 1.00 12.23 H new ATOM 808 N THR A 48 -2.249 -11.282 -12.689 1.00 23.32 N ATOM 809 CA THR A 48 -3.334 -11.899 -11.901 1.00 70.53 C ATOM 810 C THR A 48 -2.933 -12.000 -10.415 1.00 50.23 C ATOM 811 O THR A 48 -3.703 -11.616 -9.523 1.00 0.41 O ATOM 812 CB THR A 48 -3.686 -13.324 -12.453 1.00 2.01 C ATOM 813 OG1 THR A 48 -3.759 -13.281 -13.889 1.00 62.23 O ATOM 814 CG2 THR A 48 -5.030 -13.857 -11.898 1.00 22.13 C ATOM 0 H THR A 48 -1.806 -11.926 -13.344 1.00 23.32 H new ATOM 0 HA THR A 48 -4.215 -11.263 -11.990 1.00 70.53 H new ATOM 0 HB THR A 48 -2.896 -14.000 -12.125 1.00 2.01 H new ATOM 0 HG1 THR A 48 -3.977 -14.173 -14.232 1.00 62.23 H new ATOM 0 HG21 THR A 48 -5.227 -14.846 -12.311 1.00 22.13 H new ATOM 0 HG22 THR A 48 -4.975 -13.922 -10.811 1.00 22.13 H new ATOM 0 HG23 THR A 48 -5.835 -13.179 -12.181 1.00 22.13 H new ATOM 822 N GLU A 49 -1.685 -12.485 -10.184 1.00 24.44 N ATOM 823 CA GLU A 49 -1.102 -12.669 -8.836 1.00 71.12 C ATOM 824 C GLU A 49 -1.077 -11.331 -8.081 1.00 54.41 C ATOM 825 O GLU A 49 -1.432 -11.254 -6.903 1.00 4.43 O ATOM 826 CB GLU A 49 0.361 -13.212 -8.934 1.00 30.12 C ATOM 827 CG GLU A 49 0.552 -14.470 -9.810 1.00 62.33 C ATOM 828 CD GLU A 49 -0.270 -15.677 -9.343 1.00 34.33 C ATOM 829 OE1 GLU A 49 0.182 -16.377 -8.415 1.00 22.11 O ATOM 830 OE2 GLU A 49 -1.360 -15.933 -9.907 1.00 64.21 O ATOM 0 H GLU A 49 -1.054 -12.760 -10.936 1.00 24.44 H new ATOM 0 HA GLU A 49 -1.722 -13.388 -8.301 1.00 71.12 H new ATOM 0 HB2 GLU A 49 0.998 -12.419 -9.326 1.00 30.12 H new ATOM 0 HB3 GLU A 49 0.714 -13.436 -7.927 1.00 30.12 H new ATOM 0 HG2 GLU A 49 0.279 -14.231 -10.838 1.00 62.33 H new ATOM 0 HG3 GLU A 49 1.608 -14.741 -9.816 1.00 62.33 H new ATOM 837 N TYR A 50 -0.656 -10.294 -8.819 1.00 62.21 N ATOM 838 CA TYR A 50 -0.469 -8.942 -8.302 1.00 50.13 C ATOM 839 C TYR A 50 -1.811 -8.257 -7.971 1.00 43.11 C ATOM 840 O TYR A 50 -1.904 -7.539 -6.965 1.00 22.20 O ATOM 841 CB TYR A 50 0.356 -8.105 -9.311 1.00 43.01 C ATOM 842 CG TYR A 50 0.461 -6.630 -8.924 1.00 44.22 C ATOM 843 CD1 TYR A 50 1.218 -6.230 -7.821 1.00 72.00 C ATOM 844 CD2 TYR A 50 -0.251 -5.660 -9.619 1.00 63.11 C ATOM 845 CE1 TYR A 50 1.269 -4.916 -7.441 1.00 50.44 C ATOM 846 CE2 TYR A 50 -0.191 -4.352 -9.253 1.00 12.53 C ATOM 847 CZ TYR A 50 0.562 -3.983 -8.158 1.00 14.10 C ATOM 848 OH TYR A 50 0.588 -2.683 -7.770 1.00 24.01 O ATOM 0 H TYR A 50 -0.433 -10.379 -9.811 1.00 62.21 H new ATOM 0 HA TYR A 50 0.083 -9.011 -7.364 1.00 50.13 H new ATOM 0 HB2 TYR A 50 1.358 -8.526 -9.389 1.00 43.01 H new ATOM 0 HB3 TYR A 50 -0.100 -8.184 -10.298 1.00 43.01 H new ATOM 0 HD1 TYR A 50 1.771 -6.968 -7.259 1.00 72.00 H new ATOM 0 HD2 TYR A 50 -0.861 -5.949 -10.462 1.00 63.11 H new ATOM 0 HE1 TYR A 50 1.859 -4.617 -6.587 1.00 50.44 H new ATOM 0 HE2 TYR A 50 -0.730 -3.605 -9.817 1.00 12.53 H new ATOM 0 HH TYR A 50 0.940 -2.621 -6.858 1.00 24.01 H new ATOM 858 N GLN A 51 -2.836 -8.475 -8.808 1.00 61.14 N ATOM 859 CA GLN A 51 -4.143 -7.816 -8.627 1.00 53.15 C ATOM 860 C GLN A 51 -4.809 -8.331 -7.334 1.00 13.13 C ATOM 861 O GLN A 51 -5.290 -7.545 -6.511 1.00 4.34 O ATOM 862 CB GLN A 51 -5.059 -8.039 -9.867 1.00 53.41 C ATOM 863 CG GLN A 51 -6.327 -7.151 -9.886 1.00 61.41 C ATOM 864 CD GLN A 51 -6.013 -5.642 -9.888 1.00 4.23 C ATOM 865 OE1 GLN A 51 -5.010 -5.207 -10.442 1.00 23.34 O ATOM 866 NE2 GLN A 51 -6.851 -4.843 -9.248 1.00 13.54 N ATOM 0 H GLN A 51 -2.788 -9.099 -9.614 1.00 61.14 H new ATOM 0 HA GLN A 51 -3.988 -6.741 -8.533 1.00 53.15 H new ATOM 0 HB2 GLN A 51 -4.481 -7.847 -10.771 1.00 53.41 H new ATOM 0 HB3 GLN A 51 -5.361 -9.086 -9.898 1.00 53.41 H new ATOM 0 HG2 GLN A 51 -6.919 -7.393 -10.769 1.00 61.41 H new ATOM 0 HG3 GLN A 51 -6.940 -7.387 -9.016 1.00 61.41 H new ATOM 0 HE21 GLN A 51 -7.679 -5.230 -8.795 1.00 13.54 H new ATOM 0 HE22 GLN A 51 -6.669 -3.840 -9.208 1.00 13.54 H new ATOM 875 N GLU A 52 -4.758 -9.660 -7.147 1.00 21.25 N ATOM 876 CA GLU A 52 -5.274 -10.340 -5.944 1.00 5.21 C ATOM 877 C GLU A 52 -4.387 -10.051 -4.713 1.00 31.41 C ATOM 878 O GLU A 52 -4.854 -10.149 -3.573 1.00 73.41 O ATOM 879 CB GLU A 52 -5.359 -11.858 -6.213 1.00 4.43 C ATOM 880 CG GLU A 52 -6.287 -12.223 -7.382 1.00 35.42 C ATOM 881 CD GLU A 52 -6.267 -13.714 -7.720 1.00 24.03 C ATOM 882 OE1 GLU A 52 -6.949 -14.501 -7.030 1.00 23.05 O ATOM 883 OE2 GLU A 52 -5.545 -14.109 -8.654 1.00 4.11 O ATOM 0 H GLU A 52 -4.354 -10.300 -7.831 1.00 21.25 H new ATOM 0 HA GLU A 52 -6.270 -9.956 -5.723 1.00 5.21 H new ATOM 0 HB2 GLU A 52 -4.359 -12.238 -6.421 1.00 4.43 H new ATOM 0 HB3 GLU A 52 -5.710 -12.360 -5.311 1.00 4.43 H new ATOM 0 HG2 GLU A 52 -7.306 -11.926 -7.135 1.00 35.42 H new ATOM 0 HG3 GLU A 52 -5.993 -11.653 -8.263 1.00 35.42 H new ATOM 890 N HIS A 53 -3.106 -9.700 -4.964 1.00 20.24 N ATOM 891 CA HIS A 53 -2.166 -9.269 -3.909 1.00 24.31 C ATOM 892 C HIS A 53 -2.610 -7.917 -3.335 1.00 44.40 C ATOM 893 O HIS A 53 -2.619 -7.745 -2.118 1.00 33.34 O ATOM 894 CB HIS A 53 -0.716 -9.166 -4.452 1.00 64.35 C ATOM 895 CG HIS A 53 0.286 -8.578 -3.489 1.00 11.01 C ATOM 896 ND1 HIS A 53 0.775 -9.268 -2.406 1.00 21.35 N ATOM 897 CD2 HIS A 53 0.879 -7.358 -3.451 1.00 51.51 C ATOM 898 CE1 HIS A 53 1.634 -8.513 -1.758 1.00 74.45 C ATOM 899 NE2 HIS A 53 1.716 -7.346 -2.369 1.00 60.35 N ATOM 0 H HIS A 53 -2.698 -9.708 -5.899 1.00 20.24 H new ATOM 0 HA HIS A 53 -2.176 -10.020 -3.119 1.00 24.31 H new ATOM 0 HB2 HIS A 53 -0.380 -10.162 -4.739 1.00 64.35 H new ATOM 0 HB3 HIS A 53 -0.726 -8.560 -5.358 1.00 64.35 H new ATOM 0 HD2 HIS A 53 0.720 -6.547 -4.146 1.00 51.51 H new ATOM 0 HE1 HIS A 53 2.182 -8.800 -0.873 1.00 74.45 H new ATOM 0 HE2 HIS A 53 2.306 -6.565 -2.082 1.00 60.35 H new ATOM 908 N LEU A 54 -2.962 -6.965 -4.235 1.00 25.33 N ATOM 909 CA LEU A 54 -3.482 -5.638 -3.841 1.00 51.35 C ATOM 910 C LEU A 54 -4.774 -5.795 -3.046 1.00 51.34 C ATOM 911 O LEU A 54 -5.011 -5.063 -2.092 1.00 14.35 O ATOM 912 CB LEU A 54 -3.756 -4.752 -5.084 1.00 71.04 C ATOM 913 CG LEU A 54 -2.521 -4.340 -5.926 1.00 25.44 C ATOM 914 CD1 LEU A 54 -2.956 -3.582 -7.189 1.00 70.32 C ATOM 915 CD2 LEU A 54 -1.523 -3.514 -5.085 1.00 10.32 C ATOM 0 H LEU A 54 -2.893 -7.097 -5.244 1.00 25.33 H new ATOM 0 HA LEU A 54 -2.724 -5.154 -3.225 1.00 51.35 H new ATOM 0 HB2 LEU A 54 -4.451 -5.283 -5.735 1.00 71.04 H new ATOM 0 HB3 LEU A 54 -4.260 -3.845 -4.752 1.00 71.04 H new ATOM 0 HG LEU A 54 -2.005 -5.247 -6.241 1.00 25.44 H new ATOM 0 HD11 LEU A 54 -2.075 -3.301 -7.766 1.00 70.32 H new ATOM 0 HD12 LEU A 54 -3.598 -4.222 -7.794 1.00 70.32 H new ATOM 0 HD13 LEU A 54 -3.504 -2.684 -6.904 1.00 70.32 H new ATOM 0 HD21 LEU A 54 -0.667 -3.239 -5.702 1.00 10.32 H new ATOM 0 HD22 LEU A 54 -2.013 -2.611 -4.722 1.00 10.32 H new ATOM 0 HD23 LEU A 54 -1.183 -4.108 -4.237 1.00 10.32 H new ATOM 927 N ASP A 55 -5.604 -6.762 -3.481 1.00 62.13 N ATOM 928 CA ASP A 55 -6.902 -7.063 -2.862 1.00 43.43 C ATOM 929 C ASP A 55 -6.715 -7.634 -1.447 1.00 0.13 C ATOM 930 O ASP A 55 -7.475 -7.300 -0.538 1.00 34.34 O ATOM 931 CB ASP A 55 -7.699 -8.044 -3.758 1.00 22.21 C ATOM 932 CG ASP A 55 -9.115 -8.312 -3.236 1.00 32.40 C ATOM 933 OD1 ASP A 55 -9.999 -7.445 -3.428 1.00 23.01 O ATOM 934 OD2 ASP A 55 -9.347 -9.366 -2.610 1.00 1.02 O ATOM 0 H ASP A 55 -5.387 -7.359 -4.279 1.00 62.13 H new ATOM 0 HA ASP A 55 -7.470 -6.137 -2.770 1.00 43.43 H new ATOM 0 HB2 ASP A 55 -7.760 -7.638 -4.768 1.00 22.21 H new ATOM 0 HB3 ASP A 55 -7.158 -8.988 -3.826 1.00 22.21 H new ATOM 939 N SER A 56 -5.690 -8.498 -1.288 1.00 24.44 N ATOM 940 CA SER A 56 -5.348 -9.120 0.000 1.00 52.45 C ATOM 941 C SER A 56 -4.856 -8.058 0.996 1.00 50.43 C ATOM 942 O SER A 56 -5.319 -8.010 2.141 1.00 32.31 O ATOM 943 CB SER A 56 -4.278 -10.223 -0.199 1.00 44.24 C ATOM 944 OG SER A 56 -3.996 -10.880 1.024 1.00 3.44 O ATOM 0 H SER A 56 -5.078 -8.782 -2.053 1.00 24.44 H new ATOM 0 HA SER A 56 -6.245 -9.584 0.411 1.00 52.45 H new ATOM 0 HB2 SER A 56 -4.629 -10.948 -0.933 1.00 44.24 H new ATOM 0 HB3 SER A 56 -3.365 -9.782 -0.598 1.00 44.24 H new ATOM 0 HG SER A 56 -3.319 -11.573 0.875 1.00 3.44 H new ATOM 950 N VAL A 57 -3.925 -7.204 0.526 1.00 13.34 N ATOM 951 CA VAL A 57 -3.384 -6.075 1.294 1.00 32.14 C ATOM 952 C VAL A 57 -4.523 -5.140 1.746 1.00 43.20 C ATOM 953 O VAL A 57 -4.654 -4.844 2.932 1.00 3.22 O ATOM 954 CB VAL A 57 -2.311 -5.277 0.450 1.00 71.43 C ATOM 955 CG1 VAL A 57 -1.936 -3.936 1.122 1.00 45.32 C ATOM 956 CG2 VAL A 57 -1.043 -6.146 0.206 1.00 63.34 C ATOM 0 H VAL A 57 -3.526 -7.284 -0.409 1.00 13.34 H new ATOM 0 HA VAL A 57 -2.887 -6.472 2.179 1.00 32.14 H new ATOM 0 HB VAL A 57 -2.761 -5.044 -0.515 1.00 71.43 H new ATOM 0 HG11 VAL A 57 -1.197 -3.417 0.512 1.00 45.32 H new ATOM 0 HG12 VAL A 57 -2.827 -3.315 1.218 1.00 45.32 H new ATOM 0 HG13 VAL A 57 -1.520 -4.128 2.111 1.00 45.32 H new ATOM 0 HG21 VAL A 57 -0.318 -5.577 -0.377 1.00 63.34 H new ATOM 0 HG22 VAL A 57 -0.602 -6.423 1.164 1.00 63.34 H new ATOM 0 HG23 VAL A 57 -1.320 -7.048 -0.340 1.00 63.34 H new ATOM 966 N ALA A 58 -5.368 -4.747 0.781 1.00 2.11 N ATOM 967 CA ALA A 58 -6.479 -3.808 0.994 1.00 54.40 C ATOM 968 C ALA A 58 -7.605 -4.429 1.838 1.00 74.14 C ATOM 969 O ALA A 58 -8.418 -3.700 2.419 1.00 73.22 O ATOM 970 CB ALA A 58 -7.007 -3.291 -0.349 1.00 51.22 C ATOM 0 H ALA A 58 -5.298 -5.077 -0.182 1.00 2.11 H new ATOM 0 HA ALA A 58 -6.094 -2.961 1.561 1.00 54.40 H new ATOM 0 HB1 ALA A 58 -7.829 -2.597 -0.174 1.00 51.22 H new ATOM 0 HB2 ALA A 58 -6.206 -2.778 -0.882 1.00 51.22 H new ATOM 0 HB3 ALA A 58 -7.362 -4.130 -0.948 1.00 51.22 H new ATOM 976 N ASN A 59 -7.639 -5.779 1.905 1.00 54.44 N ATOM 977 CA ASN A 59 -8.582 -6.517 2.768 1.00 3.21 C ATOM 978 C ASN A 59 -8.128 -6.434 4.235 1.00 60.25 C ATOM 979 O ASN A 59 -8.967 -6.405 5.139 1.00 2.13 O ATOM 980 CB ASN A 59 -8.711 -8.001 2.327 1.00 13.42 C ATOM 981 CG ASN A 59 -9.752 -8.794 3.130 1.00 4.34 C ATOM 982 OD1 ASN A 59 -10.767 -8.250 3.572 1.00 3.13 O ATOM 983 ND2 ASN A 59 -9.511 -10.082 3.328 1.00 22.54 N ATOM 0 H ASN A 59 -7.017 -6.382 1.366 1.00 54.44 H new ATOM 0 HA ASN A 59 -9.564 -6.054 2.670 1.00 3.21 H new ATOM 0 HB2 ASN A 59 -8.977 -8.035 1.270 1.00 13.42 H new ATOM 0 HB3 ASN A 59 -7.740 -8.487 2.427 1.00 13.42 H new ATOM 0 HD21 ASN A 59 -10.173 -10.649 3.857 1.00 22.54 H new ATOM 0 HD22 ASN A 59 -8.663 -10.506 2.951 1.00 22.54 H new ATOM 990 N TYR A 60 -6.796 -6.410 4.461 1.00 21.50 N ATOM 991 CA TYR A 60 -6.217 -6.164 5.796 1.00 32.44 C ATOM 992 C TYR A 60 -6.402 -4.696 6.184 1.00 50.44 C ATOM 993 O TYR A 60 -6.729 -4.402 7.323 1.00 13.42 O ATOM 994 CB TYR A 60 -4.721 -6.562 5.862 1.00 13.54 C ATOM 995 CG TYR A 60 -4.495 -8.072 5.950 1.00 3.04 C ATOM 996 CD1 TYR A 60 -4.755 -8.738 7.146 1.00 12.34 C ATOM 997 CD2 TYR A 60 -4.042 -8.823 4.862 1.00 20.13 C ATOM 998 CE1 TYR A 60 -4.587 -10.097 7.256 1.00 41.53 C ATOM 999 CE2 TYR A 60 -3.870 -10.186 4.963 1.00 62.01 C ATOM 1000 CZ TYR A 60 -4.140 -10.823 6.164 1.00 14.44 C ATOM 1001 OH TYR A 60 -3.973 -12.186 6.271 1.00 24.22 O ATOM 0 H TYR A 60 -6.100 -6.559 3.730 1.00 21.50 H new ATOM 0 HA TYR A 60 -6.748 -6.793 6.510 1.00 32.44 H new ATOM 0 HB2 TYR A 60 -4.211 -6.177 4.979 1.00 13.54 H new ATOM 0 HB3 TYR A 60 -4.264 -6.083 6.728 1.00 13.54 H new ATOM 0 HD1 TYR A 60 -5.095 -8.175 8.003 1.00 12.34 H new ATOM 0 HD2 TYR A 60 -3.823 -8.327 3.928 1.00 20.13 H new ATOM 0 HE1 TYR A 60 -4.802 -10.597 8.189 1.00 41.53 H new ATOM 0 HE2 TYR A 60 -3.527 -10.755 4.111 1.00 62.01 H new ATOM 0 HH TYR A 60 -3.655 -12.545 5.416 1.00 24.22 H new ATOM 1011 N LEU A 61 -6.223 -3.787 5.212 1.00 51.43 N ATOM 1012 CA LEU A 61 -6.473 -2.346 5.406 1.00 64.11 C ATOM 1013 C LEU A 61 -7.957 -2.111 5.804 1.00 22.44 C ATOM 1014 O LEU A 61 -8.273 -1.225 6.595 1.00 73.31 O ATOM 1015 CB LEU A 61 -6.093 -1.571 4.111 1.00 63.04 C ATOM 1016 CG LEU A 61 -4.603 -1.704 3.648 1.00 62.14 C ATOM 1017 CD1 LEU A 61 -4.348 -1.007 2.299 1.00 31.21 C ATOM 1018 CD2 LEU A 61 -3.634 -1.201 4.732 1.00 22.33 C ATOM 0 H LEU A 61 -5.903 -4.026 4.274 1.00 51.43 H new ATOM 0 HA LEU A 61 -5.852 -1.970 6.219 1.00 64.11 H new ATOM 0 HB2 LEU A 61 -6.737 -1.916 3.302 1.00 63.04 H new ATOM 0 HB3 LEU A 61 -6.313 -0.515 4.265 1.00 63.04 H new ATOM 0 HG LEU A 61 -4.411 -2.766 3.496 1.00 62.14 H new ATOM 0 HD11 LEU A 61 -3.301 -1.127 2.020 1.00 31.21 H new ATOM 0 HD12 LEU A 61 -4.981 -1.454 1.533 1.00 31.21 H new ATOM 0 HD13 LEU A 61 -4.581 0.054 2.388 1.00 31.21 H new ATOM 0 HD21 LEU A 61 -2.608 -1.307 4.380 1.00 22.33 H new ATOM 0 HD22 LEU A 61 -3.839 -0.152 4.944 1.00 22.33 H new ATOM 0 HD23 LEU A 61 -3.768 -1.788 5.641 1.00 22.33 H new ATOM 1030 N HIS A 62 -8.841 -2.960 5.263 1.00 31.01 N ATOM 1031 CA HIS A 62 -10.269 -3.012 5.632 1.00 60.51 C ATOM 1032 C HIS A 62 -10.464 -3.625 7.046 1.00 2.35 C ATOM 1033 O HIS A 62 -11.210 -3.081 7.870 1.00 62.31 O ATOM 1034 CB HIS A 62 -11.025 -3.835 4.557 1.00 72.54 C ATOM 1035 CG HIS A 62 -12.449 -4.211 4.892 1.00 20.14 C ATOM 1036 ND1 HIS A 62 -12.847 -5.518 5.075 1.00 72.14 N ATOM 1037 CD2 HIS A 62 -13.562 -3.453 5.055 1.00 3.10 C ATOM 1038 CE1 HIS A 62 -14.137 -5.548 5.337 1.00 22.35 C ATOM 1039 NE2 HIS A 62 -14.595 -4.311 5.329 1.00 31.04 N ATOM 0 H HIS A 62 -8.585 -3.640 4.547 1.00 31.01 H new ATOM 0 HA HIS A 62 -10.672 -2.000 5.670 1.00 60.51 H new ATOM 0 HB2 HIS A 62 -11.030 -3.265 3.628 1.00 72.54 H new ATOM 0 HB3 HIS A 62 -10.464 -4.750 4.367 1.00 72.54 H new ATOM 0 HD2 HIS A 62 -13.623 -2.377 4.983 1.00 3.10 H new ATOM 0 HE1 HIS A 62 -14.722 -6.436 5.527 1.00 22.35 H new ATOM 0 HE2 HIS A 62 -15.563 -4.037 5.499 1.00 31.04 H new ATOM 1048 N ALA A 63 -9.766 -4.744 7.307 1.00 32.40 N ATOM 1049 CA ALA A 63 -9.947 -5.568 8.534 1.00 11.03 C ATOM 1050 C ALA A 63 -9.335 -4.908 9.786 1.00 1.41 C ATOM 1051 O ALA A 63 -9.710 -5.232 10.920 1.00 14.30 O ATOM 1052 CB ALA A 63 -9.332 -6.965 8.320 1.00 72.15 C ATOM 0 H ALA A 63 -9.055 -5.111 6.675 1.00 32.40 H new ATOM 0 HA ALA A 63 -11.019 -5.656 8.710 1.00 11.03 H new ATOM 0 HB1 ALA A 63 -9.467 -7.564 9.221 1.00 72.15 H new ATOM 0 HB2 ALA A 63 -9.826 -7.455 7.481 1.00 72.15 H new ATOM 0 HB3 ALA A 63 -8.268 -6.865 8.107 1.00 72.15 H new ATOM 1058 N LEU A 64 -8.384 -3.994 9.575 1.00 4.20 N ATOM 1059 CA LEU A 64 -7.663 -3.305 10.665 1.00 4.44 C ATOM 1060 C LEU A 64 -8.189 -1.866 10.835 1.00 62.11 C ATOM 1061 O LEU A 64 -8.096 -1.285 11.921 1.00 32.31 O ATOM 1062 CB LEU A 64 -6.134 -3.313 10.355 1.00 22.12 C ATOM 1063 CG LEU A 64 -5.475 -4.724 10.145 1.00 4.11 C ATOM 1064 CD1 LEU A 64 -3.990 -4.619 9.730 1.00 55.55 C ATOM 1065 CD2 LEU A 64 -5.656 -5.610 11.387 1.00 13.25 C ATOM 0 H LEU A 64 -8.087 -3.706 8.643 1.00 4.20 H new ATOM 0 HA LEU A 64 -7.834 -3.830 11.605 1.00 4.44 H new ATOM 0 HB2 LEU A 64 -5.964 -2.718 9.457 1.00 22.12 H new ATOM 0 HB3 LEU A 64 -5.616 -2.812 11.173 1.00 22.12 H new ATOM 0 HG LEU A 64 -5.996 -5.203 9.316 1.00 4.11 H new ATOM 0 HD11 LEU A 64 -3.578 -5.619 9.597 1.00 55.55 H new ATOM 0 HD12 LEU A 64 -3.912 -4.067 8.794 1.00 55.55 H new ATOM 0 HD13 LEU A 64 -3.431 -4.097 10.507 1.00 55.55 H new ATOM 0 HD21 LEU A 64 -5.190 -6.580 11.213 1.00 13.25 H new ATOM 0 HD22 LEU A 64 -5.187 -5.131 12.247 1.00 13.25 H new ATOM 0 HD23 LEU A 64 -6.719 -5.748 11.584 1.00 13.25 H new ATOM 1077 N GLY A 65 -8.772 -1.319 9.749 1.00 2.33 N ATOM 1078 CA GLY A 65 -9.202 0.083 9.696 1.00 62.22 C ATOM 1079 C GLY A 65 -8.101 1.003 9.168 1.00 25.43 C ATOM 1080 O GLY A 65 -8.161 2.227 9.342 1.00 55.44 O ATOM 0 H GLY A 65 -8.955 -1.838 8.890 1.00 2.33 H new ATOM 0 HA2 GLY A 65 -10.082 0.168 9.058 1.00 62.22 H new ATOM 0 HA3 GLY A 65 -9.499 0.409 10.693 1.00 62.22 H new ATOM 1084 N GLY A 66 -7.102 0.396 8.495 1.00 11.31 N ATOM 1085 CA GLY A 66 -5.951 1.113 7.954 1.00 64.30 C ATOM 1086 C GLY A 66 -6.143 1.602 6.518 1.00 51.14 C ATOM 1087 O GLY A 66 -5.215 2.189 5.948 1.00 61.31 O ATOM 0 H GLY A 66 -7.080 -0.608 8.316 1.00 11.31 H new ATOM 0 HA2 GLY A 66 -5.736 1.969 8.593 1.00 64.30 H new ATOM 0 HA3 GLY A 66 -5.079 0.460 7.991 1.00 64.30 H new ATOM 1091 N ALA A 67 -7.341 1.377 5.936 1.00 75.21 N ATOM 1092 CA ALA A 67 -7.634 1.738 4.533 1.00 15.34 C ATOM 1093 C ALA A 67 -7.678 3.258 4.358 1.00 62.45 C ATOM 1094 O ALA A 67 -7.052 3.795 3.443 1.00 34.25 O ATOM 1095 CB ALA A 67 -8.943 1.087 4.052 1.00 1.51 C ATOM 0 H ALA A 67 -8.126 0.943 6.422 1.00 75.21 H new ATOM 0 HA ALA A 67 -6.825 1.351 3.913 1.00 15.34 H new ATOM 0 HB1 ALA A 67 -9.132 1.371 3.017 1.00 1.51 H new ATOM 0 HB2 ALA A 67 -8.857 0.003 4.121 1.00 1.51 H new ATOM 0 HB3 ALA A 67 -9.769 1.426 4.677 1.00 1.51 H new ATOM 1101 N VAL A 68 -8.411 3.938 5.264 1.00 34.33 N ATOM 1102 CA VAL A 68 -8.496 5.410 5.296 1.00 23.14 C ATOM 1103 C VAL A 68 -7.101 6.028 5.542 1.00 73.44 C ATOM 1104 O VAL A 68 -6.785 7.077 4.988 1.00 15.21 O ATOM 1105 CB VAL A 68 -9.518 5.908 6.394 1.00 21.15 C ATOM 1106 CG1 VAL A 68 -9.568 7.459 6.476 1.00 62.14 C ATOM 1107 CG2 VAL A 68 -10.936 5.330 6.128 1.00 32.53 C ATOM 0 H VAL A 68 -8.959 3.481 5.993 1.00 34.33 H new ATOM 0 HA VAL A 68 -8.862 5.741 4.324 1.00 23.14 H new ATOM 0 HB VAL A 68 -9.165 5.539 7.357 1.00 21.15 H new ATOM 0 HG11 VAL A 68 -10.282 7.760 7.242 1.00 62.14 H new ATOM 0 HG12 VAL A 68 -8.580 7.842 6.730 1.00 62.14 H new ATOM 0 HG13 VAL A 68 -9.877 7.865 5.513 1.00 62.14 H new ATOM 0 HG21 VAL A 68 -11.624 5.685 6.895 1.00 32.53 H new ATOM 0 HG22 VAL A 68 -11.285 5.658 5.149 1.00 32.53 H new ATOM 0 HG23 VAL A 68 -10.896 4.241 6.153 1.00 32.53 H new ATOM 1117 N GLN A 69 -6.269 5.336 6.348 1.00 60.31 N ATOM 1118 CA GLN A 69 -4.905 5.796 6.692 1.00 31.53 C ATOM 1119 C GLN A 69 -4.019 5.862 5.426 1.00 75.24 C ATOM 1120 O GLN A 69 -3.231 6.795 5.264 1.00 33.11 O ATOM 1121 CB GLN A 69 -4.259 4.860 7.760 1.00 21.52 C ATOM 1122 CG GLN A 69 -5.150 4.549 8.997 1.00 32.22 C ATOM 1123 CD GLN A 69 -5.478 5.742 9.908 1.00 35.42 C ATOM 1124 OE1 GLN A 69 -5.573 6.890 9.477 1.00 41.05 O ATOM 1125 NE2 GLN A 69 -5.678 5.462 11.189 1.00 43.35 N ATOM 0 H GLN A 69 -6.521 4.446 6.778 1.00 60.31 H new ATOM 0 HA GLN A 69 -4.980 6.798 7.115 1.00 31.53 H new ATOM 0 HB2 GLN A 69 -3.991 3.919 7.280 1.00 21.52 H new ATOM 0 HB3 GLN A 69 -3.332 5.317 8.106 1.00 21.52 H new ATOM 0 HG2 GLN A 69 -6.087 4.117 8.646 1.00 32.22 H new ATOM 0 HG3 GLN A 69 -4.652 3.786 9.596 1.00 32.22 H new ATOM 0 HE21 GLN A 69 -5.593 4.501 11.520 1.00 43.35 H new ATOM 0 HE22 GLN A 69 -5.917 6.208 11.843 1.00 43.35 H new ATOM 1134 N VAL A 70 -4.189 4.860 4.540 1.00 75.14 N ATOM 1135 CA VAL A 70 -3.486 4.777 3.244 1.00 25.02 C ATOM 1136 C VAL A 70 -3.976 5.870 2.279 1.00 62.41 C ATOM 1137 O VAL A 70 -3.163 6.576 1.670 1.00 5.04 O ATOM 1138 CB VAL A 70 -3.675 3.348 2.608 1.00 32.34 C ATOM 1139 CG1 VAL A 70 -3.075 3.249 1.185 1.00 63.24 C ATOM 1140 CG2 VAL A 70 -3.067 2.275 3.531 1.00 52.12 C ATOM 0 H VAL A 70 -4.824 4.079 4.706 1.00 75.14 H new ATOM 0 HA VAL A 70 -2.423 4.940 3.422 1.00 25.02 H new ATOM 0 HB VAL A 70 -4.746 3.174 2.509 1.00 32.34 H new ATOM 0 HG11 VAL A 70 -3.232 2.244 0.793 1.00 63.24 H new ATOM 0 HG12 VAL A 70 -3.563 3.973 0.533 1.00 63.24 H new ATOM 0 HG13 VAL A 70 -2.006 3.459 1.225 1.00 63.24 H new ATOM 0 HG21 VAL A 70 -3.202 1.291 3.083 1.00 52.12 H new ATOM 0 HG22 VAL A 70 -2.003 2.470 3.664 1.00 52.12 H new ATOM 0 HG23 VAL A 70 -3.565 2.304 4.500 1.00 52.12 H new ATOM 1150 N LYS A 71 -5.313 6.000 2.167 1.00 34.21 N ATOM 1151 CA LYS A 71 -5.979 6.988 1.289 1.00 13.42 C ATOM 1152 C LYS A 71 -5.529 8.421 1.623 1.00 33.14 C ATOM 1153 O LYS A 71 -5.138 9.180 0.730 1.00 44.34 O ATOM 1154 CB LYS A 71 -7.517 6.850 1.426 1.00 31.14 C ATOM 1155 CG LYS A 71 -8.073 5.503 0.907 1.00 34.50 C ATOM 1156 CD LYS A 71 -9.581 5.308 1.191 1.00 74.44 C ATOM 1157 CE LYS A 71 -10.469 6.373 0.522 1.00 73.13 C ATOM 1158 NZ LYS A 71 -10.299 6.403 -0.957 1.00 53.21 N ATOM 0 H LYS A 71 -5.969 5.417 2.688 1.00 34.21 H new ATOM 0 HA LYS A 71 -5.692 6.787 0.257 1.00 13.42 H new ATOM 0 HB2 LYS A 71 -7.790 6.965 2.475 1.00 31.14 H new ATOM 0 HB3 LYS A 71 -7.995 7.664 0.881 1.00 31.14 H new ATOM 0 HG2 LYS A 71 -7.902 5.438 -0.168 1.00 34.50 H new ATOM 0 HG3 LYS A 71 -7.516 4.687 1.368 1.00 34.50 H new ATOM 0 HD2 LYS A 71 -9.885 4.321 0.843 1.00 74.44 H new ATOM 0 HD3 LYS A 71 -9.747 5.331 2.268 1.00 74.44 H new ATOM 0 HE2 LYS A 71 -11.514 6.174 0.761 1.00 73.13 H new ATOM 0 HE3 LYS A 71 -10.229 7.354 0.933 1.00 73.13 H new ATOM 0 HZ1 LYS A 71 -10.977 7.075 -1.371 1.00 53.21 H new ATOM 0 HZ2 LYS A 71 -9.330 6.701 -1.189 1.00 53.21 H new ATOM 0 HZ3 LYS A 71 -10.471 5.454 -1.346 1.00 53.21 H new ATOM 1172 N THR A 72 -5.549 8.740 2.928 1.00 4.54 N ATOM 1173 CA THR A 72 -5.161 10.045 3.466 1.00 5.21 C ATOM 1174 C THR A 72 -3.667 10.321 3.212 1.00 31.24 C ATOM 1175 O THR A 72 -3.312 11.383 2.699 1.00 22.32 O ATOM 1176 CB THR A 72 -5.479 10.114 5.000 1.00 42.24 C ATOM 1177 OG1 THR A 72 -6.888 9.902 5.213 1.00 21.13 O ATOM 1178 CG2 THR A 72 -5.076 11.452 5.639 1.00 65.20 C ATOM 0 H THR A 72 -5.842 8.081 3.649 1.00 4.54 H new ATOM 0 HA THR A 72 -5.739 10.814 2.953 1.00 5.21 H new ATOM 0 HB THR A 72 -4.889 9.332 5.477 1.00 42.24 H new ATOM 0 HG1 THR A 72 -7.082 8.942 5.188 1.00 21.13 H new ATOM 0 HG21 THR A 72 -5.322 11.437 6.701 1.00 65.20 H new ATOM 0 HG22 THR A 72 -4.004 11.605 5.517 1.00 65.20 H new ATOM 0 HG23 THR A 72 -5.616 12.265 5.153 1.00 65.20 H new ATOM 1186 N PHE A 73 -2.807 9.332 3.543 1.00 31.32 N ATOM 1187 CA PHE A 73 -1.345 9.494 3.491 1.00 24.51 C ATOM 1188 C PHE A 73 -0.853 9.701 2.044 1.00 34.34 C ATOM 1189 O PHE A 73 -0.051 10.595 1.802 1.00 54.30 O ATOM 1190 CB PHE A 73 -0.638 8.278 4.139 1.00 72.30 C ATOM 1191 CG PHE A 73 0.880 8.435 4.290 1.00 4.54 C ATOM 1192 CD1 PHE A 73 1.415 9.141 5.367 1.00 45.13 C ATOM 1193 CD2 PHE A 73 1.763 7.890 3.356 1.00 41.30 C ATOM 1194 CE1 PHE A 73 2.781 9.295 5.502 1.00 24.23 C ATOM 1195 CE2 PHE A 73 3.121 8.045 3.495 1.00 45.14 C ATOM 1196 CZ PHE A 73 3.633 8.745 4.565 1.00 2.02 C ATOM 0 H PHE A 73 -3.108 8.407 3.851 1.00 31.32 H new ATOM 0 HA PHE A 73 -1.089 10.388 4.060 1.00 24.51 H new ATOM 0 HB2 PHE A 73 -1.073 8.102 5.123 1.00 72.30 H new ATOM 0 HB3 PHE A 73 -0.841 7.392 3.538 1.00 72.30 H new ATOM 0 HD1 PHE A 73 0.754 9.572 6.104 1.00 45.13 H new ATOM 0 HD2 PHE A 73 1.373 7.339 2.513 1.00 41.30 H new ATOM 0 HE1 PHE A 73 3.182 9.845 6.340 1.00 24.23 H new ATOM 0 HE2 PHE A 73 3.789 7.617 2.763 1.00 45.14 H new ATOM 0 HZ PHE A 73 4.701 8.864 4.671 1.00 2.02 H new ATOM 1206 N ILE A 74 -1.346 8.870 1.100 1.00 33.52 N ATOM 1207 CA ILE A 74 -0.934 8.920 -0.326 1.00 50.32 C ATOM 1208 C ILE A 74 -1.382 10.243 -0.995 1.00 52.14 C ATOM 1209 O ILE A 74 -0.637 10.811 -1.803 1.00 50.35 O ATOM 1210 CB ILE A 74 -1.449 7.653 -1.130 1.00 63.15 C ATOM 1211 CG1 ILE A 74 -0.756 6.357 -0.580 1.00 71.31 C ATOM 1212 CG2 ILE A 74 -1.231 7.796 -2.662 1.00 11.03 C ATOM 1213 CD1 ILE A 74 -1.095 5.059 -1.308 1.00 41.34 C ATOM 0 H ILE A 74 -2.038 8.148 1.300 1.00 33.52 H new ATOM 0 HA ILE A 74 0.155 8.893 -0.352 1.00 50.32 H new ATOM 0 HB ILE A 74 -2.526 7.576 -0.977 1.00 63.15 H new ATOM 0 HG12 ILE A 74 0.324 6.501 -0.619 1.00 71.31 H new ATOM 0 HG13 ILE A 74 -1.025 6.243 0.470 1.00 71.31 H new ATOM 0 HG21 ILE A 74 -1.600 6.903 -3.167 1.00 11.03 H new ATOM 0 HG22 ILE A 74 -1.772 8.669 -3.027 1.00 11.03 H new ATOM 0 HG23 ILE A 74 -0.168 7.916 -2.869 1.00 11.03 H new ATOM 0 HD11 ILE A 74 -0.560 4.231 -0.843 1.00 41.34 H new ATOM 0 HD12 ILE A 74 -2.168 4.878 -1.248 1.00 41.34 H new ATOM 0 HD13 ILE A 74 -0.799 5.140 -2.354 1.00 41.34 H new ATOM 1225 N THR A 75 -2.578 10.742 -0.614 1.00 34.12 N ATOM 1226 CA THR A 75 -3.100 12.048 -1.078 1.00 1.24 C ATOM 1227 C THR A 75 -2.181 13.211 -0.612 1.00 24.25 C ATOM 1228 O THR A 75 -1.908 14.149 -1.379 1.00 64.11 O ATOM 1229 CB THR A 75 -4.569 12.250 -0.572 1.00 64.35 C ATOM 1230 OG1 THR A 75 -5.413 11.223 -1.132 1.00 73.22 O ATOM 1231 CG2 THR A 75 -5.157 13.636 -0.921 1.00 51.42 C ATOM 0 H THR A 75 -3.208 10.253 0.022 1.00 34.12 H new ATOM 0 HA THR A 75 -3.107 12.053 -2.168 1.00 1.24 H new ATOM 0 HB THR A 75 -4.537 12.185 0.516 1.00 64.35 H new ATOM 0 HG1 THR A 75 -5.396 10.433 -0.552 1.00 73.22 H new ATOM 0 HG21 THR A 75 -6.176 13.705 -0.540 1.00 51.42 H new ATOM 0 HG22 THR A 75 -4.546 14.416 -0.466 1.00 51.42 H new ATOM 0 HG23 THR A 75 -5.165 13.766 -2.003 1.00 51.42 H new ATOM 1239 N GLN A 76 -1.664 13.102 0.630 1.00 11.25 N ATOM 1240 CA GLN A 76 -0.798 14.130 1.243 1.00 43.03 C ATOM 1241 C GLN A 76 0.631 14.098 0.656 1.00 4.13 C ATOM 1242 O GLN A 76 1.158 15.140 0.251 1.00 61.13 O ATOM 1243 CB GLN A 76 -0.741 13.939 2.782 1.00 21.11 C ATOM 1244 CG GLN A 76 -2.073 14.173 3.514 1.00 13.35 C ATOM 1245 CD GLN A 76 -1.943 13.962 5.021 1.00 32.12 C ATOM 1246 OE1 GLN A 76 -1.692 14.899 5.774 1.00 65.44 O ATOM 1247 NE2 GLN A 76 -2.065 12.723 5.465 1.00 2.03 N ATOM 0 H GLN A 76 -1.835 12.299 1.235 1.00 11.25 H new ATOM 0 HA GLN A 76 -1.233 15.103 1.015 1.00 43.03 H new ATOM 0 HB2 GLN A 76 -0.399 12.926 2.995 1.00 21.11 H new ATOM 0 HB3 GLN A 76 0.006 14.620 3.190 1.00 21.11 H new ATOM 0 HG2 GLN A 76 -2.421 15.187 3.319 1.00 13.35 H new ATOM 0 HG3 GLN A 76 -2.829 13.495 3.117 1.00 13.35 H new ATOM 0 HE21 GLN A 76 -2.274 11.966 4.814 1.00 2.03 H new ATOM 0 HE22 GLN A 76 -1.950 12.524 6.459 1.00 2.03 H new ATOM 1256 N THR A 77 1.246 12.897 0.593 1.00 2.31 N ATOM 1257 CA THR A 77 2.666 12.753 0.227 1.00 70.40 C ATOM 1258 C THR A 77 2.883 13.048 -1.274 1.00 73.13 C ATOM 1259 O THR A 77 2.346 12.362 -2.150 1.00 3.32 O ATOM 1260 CB THR A 77 3.264 11.348 0.615 1.00 52.31 C ATOM 1261 OG1 THR A 77 4.670 11.328 0.317 1.00 62.00 O ATOM 1262 CG2 THR A 77 2.580 10.154 -0.085 1.00 24.31 C ATOM 0 H THR A 77 0.777 12.013 0.792 1.00 2.31 H new ATOM 0 HA THR A 77 3.211 13.494 0.813 1.00 70.40 H new ATOM 0 HB THR A 77 3.081 11.225 1.682 1.00 52.31 H new ATOM 0 HG1 THR A 77 5.043 10.455 0.560 1.00 62.00 H new ATOM 0 HG21 THR A 77 3.051 9.225 0.237 1.00 24.31 H new ATOM 0 HG22 THR A 77 1.522 10.135 0.178 1.00 24.31 H new ATOM 0 HG23 THR A 77 2.683 10.258 -1.165 1.00 24.31 H new ATOM 1270 N LYS A 78 3.651 14.114 -1.552 1.00 4.34 N ATOM 1271 CA LYS A 78 4.046 14.501 -2.915 1.00 60.41 C ATOM 1272 C LYS A 78 5.239 13.641 -3.398 1.00 71.22 C ATOM 1273 O LYS A 78 5.648 13.724 -4.561 1.00 1.51 O ATOM 1274 CB LYS A 78 4.412 16.009 -2.938 1.00 12.12 C ATOM 1275 CG LYS A 78 3.305 16.955 -2.409 1.00 35.40 C ATOM 1276 CD LYS A 78 3.725 18.449 -2.464 1.00 42.41 C ATOM 1277 CE LYS A 78 2.662 19.390 -1.876 1.00 54.14 C ATOM 1278 NZ LYS A 78 3.062 20.816 -1.983 1.00 72.14 N ATOM 0 H LYS A 78 4.018 14.736 -0.831 1.00 4.34 H new ATOM 0 HA LYS A 78 3.211 14.328 -3.594 1.00 60.41 H new ATOM 0 HB2 LYS A 78 5.313 16.159 -2.343 1.00 12.12 H new ATOM 0 HB3 LYS A 78 4.655 16.294 -3.962 1.00 12.12 H new ATOM 0 HG2 LYS A 78 2.399 16.814 -2.998 1.00 35.40 H new ATOM 0 HG3 LYS A 78 3.063 16.686 -1.381 1.00 35.40 H new ATOM 0 HD2 LYS A 78 4.660 18.579 -1.919 1.00 42.41 H new ATOM 0 HD3 LYS A 78 3.918 18.729 -3.499 1.00 42.41 H new ATOM 0 HE2 LYS A 78 1.716 19.239 -2.396 1.00 54.14 H new ATOM 0 HE3 LYS A 78 2.494 19.138 -0.829 1.00 54.14 H new ATOM 0 HZ1 LYS A 78 2.318 21.417 -1.575 1.00 72.14 H new ATOM 0 HZ2 LYS A 78 3.951 20.967 -1.465 1.00 72.14 H new ATOM 0 HZ3 LYS A 78 3.198 21.064 -2.984 1.00 72.14 H new ATOM 1292 N GLU A 79 5.775 12.815 -2.475 1.00 62.13 N ATOM 1293 CA GLU A 79 6.900 11.909 -2.736 1.00 65.52 C ATOM 1294 C GLU A 79 6.427 10.679 -3.524 1.00 12.33 C ATOM 1295 O GLU A 79 5.269 10.271 -3.414 1.00 21.52 O ATOM 1296 CB GLU A 79 7.538 11.452 -1.402 1.00 10.02 C ATOM 1297 CG GLU A 79 7.959 12.605 -0.473 1.00 64.34 C ATOM 1298 CD GLU A 79 8.633 12.109 0.813 1.00 60.11 C ATOM 1299 OE1 GLU A 79 9.790 11.637 0.740 1.00 1.22 O ATOM 1300 OE2 GLU A 79 8.012 12.173 1.899 1.00 52.30 O ATOM 0 H GLU A 79 5.430 12.762 -1.517 1.00 62.13 H new ATOM 0 HA GLU A 79 7.642 12.446 -3.326 1.00 65.52 H new ATOM 0 HB2 GLU A 79 6.829 10.815 -0.873 1.00 10.02 H new ATOM 0 HB3 GLU A 79 8.413 10.840 -1.622 1.00 10.02 H new ATOM 0 HG2 GLU A 79 8.643 13.265 -1.006 1.00 64.34 H new ATOM 0 HG3 GLU A 79 7.081 13.197 -0.214 1.00 64.34 H new ATOM 1307 N ARG A 80 7.350 10.094 -4.296 1.00 61.50 N ATOM 1308 CA ARG A 80 7.107 8.891 -5.114 1.00 60.54 C ATOM 1309 C ARG A 80 8.099 7.785 -4.725 1.00 51.03 C ATOM 1310 O ARG A 80 9.219 8.092 -4.301 1.00 70.23 O ATOM 1311 CB ARG A 80 7.232 9.234 -6.632 1.00 74.32 C ATOM 1312 CG ARG A 80 6.034 10.019 -7.170 1.00 53.31 C ATOM 1313 CD ARG A 80 6.095 10.360 -8.665 1.00 4.20 C ATOM 1314 NE ARG A 80 4.826 10.965 -9.112 1.00 44.35 N ATOM 1315 CZ ARG A 80 4.538 11.348 -10.366 1.00 53.40 C ATOM 1316 NH1 ARG A 80 5.420 11.207 -11.351 1.00 74.31 N ATOM 1317 NH2 ARG A 80 3.350 11.863 -10.627 1.00 62.02 N ATOM 0 H ARG A 80 8.304 10.446 -4.374 1.00 61.50 H new ATOM 0 HA ARG A 80 6.095 8.533 -4.927 1.00 60.54 H new ATOM 0 HB2 ARG A 80 8.141 9.813 -6.794 1.00 74.32 H new ATOM 0 HB3 ARG A 80 7.338 8.310 -7.200 1.00 74.32 H new ATOM 0 HG2 ARG A 80 5.128 9.443 -6.982 1.00 53.31 H new ATOM 0 HG3 ARG A 80 5.945 10.947 -6.605 1.00 53.31 H new ATOM 0 HD2 ARG A 80 6.919 11.049 -8.853 1.00 4.20 H new ATOM 0 HD3 ARG A 80 6.297 9.457 -9.241 1.00 4.20 H new ATOM 0 HE ARG A 80 4.103 11.105 -8.406 1.00 44.35 H new ATOM 0 HH11 ARG A 80 6.336 10.801 -11.161 1.00 74.31 H new ATOM 0 HH12 ARG A 80 5.180 11.505 -12.297 1.00 74.31 H new ATOM 0 HH21 ARG A 80 2.663 11.966 -9.880 1.00 62.02 H new ATOM 0 HH22 ARG A 80 3.119 12.158 -11.576 1.00 62.02 H new ATOM 1331 N PRO A 81 7.692 6.477 -4.820 1.00 53.51 N ATOM 1332 CA PRO A 81 8.627 5.343 -4.626 1.00 22.20 C ATOM 1333 C PRO A 81 9.777 5.384 -5.664 1.00 63.44 C ATOM 1334 O PRO A 81 9.544 5.316 -6.880 1.00 31.54 O ATOM 1335 CB PRO A 81 7.730 4.088 -4.802 1.00 43.42 C ATOM 1336 CG PRO A 81 6.325 4.573 -4.604 1.00 41.44 C ATOM 1337 CD PRO A 81 6.305 6.011 -5.079 1.00 31.02 C ATOM 0 HA PRO A 81 9.122 5.361 -3.655 1.00 22.20 H new ATOM 0 HB2 PRO A 81 7.858 3.649 -5.791 1.00 43.42 H new ATOM 0 HB3 PRO A 81 7.986 3.317 -4.075 1.00 43.42 H new ATOM 0 HG2 PRO A 81 5.620 3.966 -5.171 1.00 41.44 H new ATOM 0 HG3 PRO A 81 6.033 4.505 -3.556 1.00 41.44 H new ATOM 0 HD2 PRO A 81 6.048 6.082 -6.136 1.00 31.02 H new ATOM 0 HD3 PRO A 81 5.573 6.605 -4.532 1.00 31.02 H new ATOM 1345 N ARG A 82 11.009 5.500 -5.155 1.00 62.41 N ATOM 1346 CA ARG A 82 12.245 5.616 -5.962 1.00 72.03 C ATOM 1347 C ARG A 82 13.093 4.352 -5.713 1.00 2.23 C ATOM 1348 O ARG A 82 12.804 3.611 -4.775 1.00 34.13 O ATOM 1349 CB ARG A 82 13.007 6.912 -5.537 1.00 2.34 C ATOM 1350 CG ARG A 82 14.101 7.414 -6.513 1.00 53.04 C ATOM 1351 CD ARG A 82 13.519 8.003 -7.813 1.00 53.43 C ATOM 1352 NE ARG A 82 14.576 8.553 -8.687 1.00 74.14 N ATOM 1353 CZ ARG A 82 14.454 9.639 -9.470 1.00 43.04 C ATOM 1354 NH1 ARG A 82 13.322 10.330 -9.507 1.00 62.04 N ATOM 1355 NH2 ARG A 82 15.472 10.033 -10.216 1.00 34.13 N ATOM 0 H ARG A 82 11.186 5.517 -4.151 1.00 62.41 H new ATOM 0 HA ARG A 82 12.024 5.690 -7.027 1.00 72.03 H new ATOM 0 HB2 ARG A 82 12.277 7.710 -5.401 1.00 2.34 H new ATOM 0 HB3 ARG A 82 13.469 6.735 -4.566 1.00 2.34 H new ATOM 0 HG2 ARG A 82 14.705 8.172 -6.015 1.00 53.04 H new ATOM 0 HG3 ARG A 82 14.767 6.588 -6.761 1.00 53.04 H new ATOM 0 HD2 ARG A 82 12.970 7.229 -8.349 1.00 53.43 H new ATOM 0 HD3 ARG A 82 12.804 8.789 -7.568 1.00 53.43 H new ATOM 0 HE ARG A 82 15.473 8.068 -8.697 1.00 74.14 H new ATOM 0 HH11 ARG A 82 12.528 10.039 -8.936 1.00 62.04 H new ATOM 0 HH12 ARG A 82 13.245 11.152 -10.106 1.00 62.04 H new ATOM 0 HH21 ARG A 82 16.349 9.513 -10.197 1.00 34.13 H new ATOM 0 HH22 ARG A 82 15.380 10.857 -10.810 1.00 34.13 H new ATOM 1369 N LEU A 83 14.115 4.080 -6.551 1.00 41.31 N ATOM 1370 CA LEU A 83 14.999 2.902 -6.370 1.00 12.40 C ATOM 1371 C LEU A 83 15.725 2.967 -5.002 1.00 72.42 C ATOM 1372 O LEU A 83 16.508 3.888 -4.751 1.00 21.12 O ATOM 1373 CB LEU A 83 16.020 2.802 -7.534 1.00 23.42 C ATOM 1374 CG LEU A 83 16.991 1.570 -7.492 1.00 1.32 C ATOM 1375 CD1 LEU A 83 16.221 0.235 -7.489 1.00 15.23 C ATOM 1376 CD2 LEU A 83 18.010 1.628 -8.650 1.00 23.12 C ATOM 0 H LEU A 83 14.351 4.657 -7.359 1.00 41.31 H new ATOM 0 HA LEU A 83 14.381 2.004 -6.382 1.00 12.40 H new ATOM 0 HB2 LEU A 83 15.468 2.773 -8.474 1.00 23.42 H new ATOM 0 HB3 LEU A 83 16.620 3.712 -7.544 1.00 23.42 H new ATOM 0 HG LEU A 83 17.545 1.623 -6.555 1.00 1.32 H new ATOM 0 HD11 LEU A 83 16.929 -0.593 -7.460 1.00 15.23 H new ATOM 0 HD12 LEU A 83 15.574 0.190 -6.613 1.00 15.23 H new ATOM 0 HD13 LEU A 83 15.615 0.162 -8.392 1.00 15.23 H new ATOM 0 HD21 LEU A 83 18.671 0.763 -8.597 1.00 23.12 H new ATOM 0 HD22 LEU A 83 17.479 1.622 -9.602 1.00 23.12 H new ATOM 0 HD23 LEU A 83 18.601 2.541 -8.570 1.00 23.12 H new ATOM 1388 N GLY A 84 15.403 2.000 -4.118 1.00 15.32 N ATOM 1389 CA GLY A 84 15.945 1.947 -2.753 1.00 2.35 C ATOM 1390 C GLY A 84 15.102 2.711 -1.730 1.00 75.34 C ATOM 1391 O GLY A 84 15.343 2.614 -0.526 1.00 32.15 O ATOM 0 H GLY A 84 14.761 1.237 -4.334 1.00 15.32 H new ATOM 0 HA2 GLY A 84 16.023 0.905 -2.442 1.00 2.35 H new ATOM 0 HA3 GLY A 84 16.956 2.355 -2.756 1.00 2.35 H new ATOM 1395 N LYS A 85 14.094 3.444 -2.228 1.00 24.45 N ATOM 1396 CA LYS A 85 13.226 4.345 -1.443 1.00 25.34 C ATOM 1397 C LYS A 85 11.759 3.866 -1.524 1.00 72.00 C ATOM 1398 O LYS A 85 11.098 4.023 -2.558 1.00 40.41 O ATOM 1399 CB LYS A 85 13.370 5.796 -1.991 1.00 1.30 C ATOM 1400 CG LYS A 85 12.334 6.822 -1.468 1.00 3.23 C ATOM 1401 CD LYS A 85 12.476 7.106 0.043 1.00 2.30 C ATOM 1402 CE LYS A 85 11.365 8.017 0.572 1.00 22.41 C ATOM 1403 NZ LYS A 85 11.565 8.346 2.004 1.00 1.31 N ATOM 0 H LYS A 85 13.850 3.428 -3.218 1.00 24.45 H new ATOM 0 HA LYS A 85 13.527 4.332 -0.396 1.00 25.34 H new ATOM 0 HB2 LYS A 85 14.368 6.159 -1.746 1.00 1.30 H new ATOM 0 HB3 LYS A 85 13.302 5.762 -3.078 1.00 1.30 H new ATOM 0 HG2 LYS A 85 12.445 7.756 -2.020 1.00 3.23 H new ATOM 0 HG3 LYS A 85 11.329 6.450 -1.669 1.00 3.23 H new ATOM 0 HD2 LYS A 85 12.461 6.163 0.590 1.00 2.30 H new ATOM 0 HD3 LYS A 85 13.444 7.570 0.234 1.00 2.30 H new ATOM 0 HE2 LYS A 85 11.338 8.936 -0.013 1.00 22.41 H new ATOM 0 HE3 LYS A 85 10.400 7.528 0.442 1.00 22.41 H new ATOM 0 HZ1 LYS A 85 10.795 8.964 2.329 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 11.566 7.470 2.565 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 12.475 8.835 2.124 1.00 1.31 H new ATOM 1417 N ALA A 86 11.275 3.257 -0.437 1.00 74.43 N ATOM 1418 CA ALA A 86 9.850 2.892 -0.278 1.00 61.51 C ATOM 1419 C ALA A 86 9.090 4.055 0.381 1.00 71.22 C ATOM 1420 O ALA A 86 9.689 4.856 1.107 1.00 15.13 O ATOM 1421 CB ALA A 86 9.711 1.608 0.564 1.00 13.52 C ATOM 0 H ALA A 86 11.855 3.000 0.362 1.00 74.43 H new ATOM 0 HA ALA A 86 9.421 2.699 -1.261 1.00 61.51 H new ATOM 0 HB1 ALA A 86 8.656 1.355 0.670 1.00 13.52 H new ATOM 0 HB2 ALA A 86 10.232 0.789 0.068 1.00 13.52 H new ATOM 0 HB3 ALA A 86 10.146 1.771 1.550 1.00 13.52 H new ATOM 1427 N VAL A 87 7.780 4.158 0.101 1.00 51.22 N ATOM 1428 CA VAL A 87 6.886 5.124 0.767 1.00 51.03 C ATOM 1429 C VAL A 87 6.147 4.395 1.912 1.00 13.30 C ATOM 1430 O VAL A 87 5.140 3.711 1.688 1.00 62.12 O ATOM 1431 CB VAL A 87 5.877 5.783 -0.258 1.00 12.33 C ATOM 1432 CG1 VAL A 87 4.895 6.763 0.435 1.00 41.04 C ATOM 1433 CG2 VAL A 87 6.641 6.500 -1.401 1.00 2.24 C ATOM 0 H VAL A 87 7.310 3.576 -0.592 1.00 51.22 H new ATOM 0 HA VAL A 87 7.474 5.943 1.181 1.00 51.03 H new ATOM 0 HB VAL A 87 5.284 4.974 -0.685 1.00 12.33 H new ATOM 0 HG11 VAL A 87 4.222 7.190 -0.309 1.00 41.04 H new ATOM 0 HG12 VAL A 87 4.314 6.226 1.184 1.00 41.04 H new ATOM 0 HG13 VAL A 87 5.458 7.562 0.917 1.00 41.04 H new ATOM 0 HG21 VAL A 87 5.926 6.945 -2.093 1.00 2.24 H new ATOM 0 HG22 VAL A 87 7.274 7.281 -0.981 1.00 2.24 H new ATOM 0 HG23 VAL A 87 7.260 5.778 -1.934 1.00 2.24 H new ATOM 1443 N SER A 88 6.709 4.509 3.130 1.00 24.25 N ATOM 1444 CA SER A 88 6.204 3.821 4.330 1.00 4.12 C ATOM 1445 C SER A 88 4.977 4.561 4.883 1.00 3.21 C ATOM 1446 O SER A 88 5.078 5.719 5.311 1.00 73.11 O ATOM 1447 CB SER A 88 7.323 3.735 5.390 1.00 3.44 C ATOM 1448 OG SER A 88 6.890 3.068 6.565 1.00 4.44 O ATOM 0 H SER A 88 7.531 5.085 3.309 1.00 24.25 H new ATOM 0 HA SER A 88 5.899 2.808 4.067 1.00 4.12 H new ATOM 0 HB2 SER A 88 8.181 3.210 4.970 1.00 3.44 H new ATOM 0 HB3 SER A 88 7.658 4.740 5.646 1.00 3.44 H new ATOM 0 HG SER A 88 6.421 3.702 7.147 1.00 4.44 H new ATOM 1454 N ILE A 89 3.823 3.887 4.841 1.00 71.33 N ATOM 1455 CA ILE A 89 2.541 4.441 5.292 1.00 52.03 C ATOM 1456 C ILE A 89 2.264 3.981 6.738 1.00 62.10 C ATOM 1457 O ILE A 89 2.027 2.790 6.957 1.00 72.40 O ATOM 1458 CB ILE A 89 1.369 3.975 4.355 1.00 33.03 C ATOM 1459 CG1 ILE A 89 1.680 4.336 2.874 1.00 63.33 C ATOM 1460 CG2 ILE A 89 0.008 4.559 4.812 1.00 70.54 C ATOM 1461 CD1 ILE A 89 0.666 3.824 1.873 1.00 14.35 C ATOM 0 H ILE A 89 3.751 2.932 4.490 1.00 71.33 H new ATOM 0 HA ILE A 89 2.599 5.529 5.254 1.00 52.03 H new ATOM 0 HB ILE A 89 1.288 2.890 4.428 1.00 33.03 H new ATOM 0 HG12 ILE A 89 1.744 5.420 2.784 1.00 63.33 H new ATOM 0 HG13 ILE A 89 2.660 3.936 2.615 1.00 63.33 H new ATOM 0 HG21 ILE A 89 -0.779 4.216 4.141 1.00 70.54 H new ATOM 0 HG22 ILE A 89 -0.209 4.225 5.827 1.00 70.54 H new ATOM 0 HG23 ILE A 89 0.054 5.648 4.790 1.00 70.54 H new ATOM 0 HD11 ILE A 89 0.964 4.123 0.868 1.00 14.35 H new ATOM 0 HD12 ILE A 89 0.617 2.737 1.929 1.00 14.35 H new ATOM 0 HD13 ILE A 89 -0.314 4.244 2.101 1.00 14.35 H new ATOM 1473 N PRO A 90 2.318 4.905 7.750 1.00 41.02 N ATOM 1474 CA PRO A 90 1.996 4.562 9.147 1.00 50.22 C ATOM 1475 C PRO A 90 0.479 4.341 9.325 1.00 20.12 C ATOM 1476 O PRO A 90 -0.329 5.269 9.164 1.00 10.31 O ATOM 1477 CB PRO A 90 2.520 5.787 9.949 1.00 12.30 C ATOM 1478 CG PRO A 90 2.479 6.936 8.979 1.00 52.24 C ATOM 1479 CD PRO A 90 2.678 6.341 7.597 1.00 40.02 C ATOM 0 HA PRO A 90 2.450 3.630 9.483 1.00 50.22 H new ATOM 0 HB2 PRO A 90 1.896 5.984 10.820 1.00 12.30 H new ATOM 0 HB3 PRO A 90 3.532 5.615 10.314 1.00 12.30 H new ATOM 0 HG2 PRO A 90 1.527 7.462 9.041 1.00 52.24 H new ATOM 0 HG3 PRO A 90 3.260 7.662 9.205 1.00 52.24 H new ATOM 0 HD2 PRO A 90 2.044 6.832 6.859 1.00 40.02 H new ATOM 0 HD3 PRO A 90 3.708 6.458 7.260 1.00 40.02 H new ATOM 1487 N LEU A 91 0.106 3.092 9.629 1.00 1.45 N ATOM 1488 CA LEU A 91 -1.286 2.703 9.861 1.00 55.22 C ATOM 1489 C LEU A 91 -1.566 2.800 11.361 1.00 2.01 C ATOM 1490 O LEU A 91 -0.999 2.024 12.147 1.00 64.34 O ATOM 1491 CB LEU A 91 -1.521 1.256 9.350 1.00 51.23 C ATOM 1492 CG LEU A 91 -1.087 0.966 7.882 1.00 51.42 C ATOM 1493 CD1 LEU A 91 -1.289 -0.519 7.538 1.00 12.35 C ATOM 1494 CD2 LEU A 91 -1.820 1.896 6.889 1.00 31.13 C ATOM 0 H LEU A 91 0.767 2.320 9.721 1.00 1.45 H new ATOM 0 HA LEU A 91 -1.962 3.364 9.320 1.00 55.22 H new ATOM 0 HB2 LEU A 91 -0.987 0.570 10.007 1.00 51.23 H new ATOM 0 HB3 LEU A 91 -2.582 1.027 9.445 1.00 51.23 H new ATOM 0 HG LEU A 91 -0.022 1.180 7.791 1.00 51.42 H new ATOM 0 HD11 LEU A 91 -0.980 -0.699 6.508 1.00 12.35 H new ATOM 0 HD12 LEU A 91 -0.689 -1.133 8.210 1.00 12.35 H new ATOM 0 HD13 LEU A 91 -2.341 -0.779 7.651 1.00 12.35 H new ATOM 0 HD21 LEU A 91 -1.497 1.670 5.873 1.00 31.13 H new ATOM 0 HD22 LEU A 91 -2.896 1.740 6.971 1.00 31.13 H new ATOM 0 HD23 LEU A 91 -1.585 2.935 7.122 1.00 31.13 H new ATOM 1506 N ASP A 92 -2.407 3.765 11.760 1.00 35.30 N ATOM 1507 CA ASP A 92 -2.711 3.975 13.176 1.00 64.23 C ATOM 1508 C ASP A 92 -3.703 2.910 13.641 1.00 52.51 C ATOM 1509 O ASP A 92 -4.911 3.011 13.398 1.00 3.51 O ATOM 1510 CB ASP A 92 -3.261 5.394 13.478 1.00 61.34 C ATOM 1511 CG ASP A 92 -3.540 5.585 14.986 1.00 15.24 C ATOM 1512 OD1 ASP A 92 -2.586 5.871 15.736 1.00 31.34 O ATOM 1513 OD2 ASP A 92 -4.696 5.377 15.438 1.00 10.32 O ATOM 0 H ASP A 92 -2.884 4.406 11.125 1.00 35.30 H new ATOM 0 HA ASP A 92 -1.775 3.888 13.727 1.00 64.23 H new ATOM 0 HB2 ASP A 92 -2.543 6.142 13.142 1.00 61.34 H new ATOM 0 HB3 ASP A 92 -4.179 5.557 12.914 1.00 61.34 H new ATOM 1518 N LEU A 93 -3.157 1.864 14.247 1.00 22.53 N ATOM 1519 CA LEU A 93 -3.914 0.927 15.071 1.00 62.31 C ATOM 1520 C LEU A 93 -3.603 1.239 16.547 1.00 22.52 C ATOM 1521 O LEU A 93 -3.664 0.362 17.399 1.00 0.01 O ATOM 1522 CB LEU A 93 -3.555 -0.542 14.691 1.00 63.12 C ATOM 1523 CG LEU A 93 -3.690 -0.917 13.177 1.00 24.20 C ATOM 1524 CD1 LEU A 93 -3.434 -2.417 12.955 1.00 14.00 C ATOM 1525 CD2 LEU A 93 -5.051 -0.489 12.595 1.00 31.25 C ATOM 0 H LEU A 93 -2.164 1.638 14.180 1.00 22.53 H new ATOM 0 HA LEU A 93 -4.985 1.037 14.902 1.00 62.31 H new ATOM 0 HB2 LEU A 93 -2.528 -0.735 15.002 1.00 63.12 H new ATOM 0 HB3 LEU A 93 -4.194 -1.211 15.268 1.00 63.12 H new ATOM 0 HG LEU A 93 -2.924 -0.361 12.637 1.00 24.20 H new ATOM 0 HD11 LEU A 93 -3.534 -2.650 11.895 1.00 14.00 H new ATOM 0 HD12 LEU A 93 -2.427 -2.667 13.288 1.00 14.00 H new ATOM 0 HD13 LEU A 93 -4.159 -2.998 13.524 1.00 14.00 H new ATOM 0 HD21 LEU A 93 -5.101 -0.769 11.543 1.00 31.25 H new ATOM 0 HD22 LEU A 93 -5.853 -0.986 13.141 1.00 31.25 H new ATOM 0 HD23 LEU A 93 -5.163 0.591 12.689 1.00 31.25 H new ATOM 1537 N GLY A 94 -3.257 2.519 16.826 1.00 11.04 N ATOM 1538 CA GLY A 94 -3.052 3.004 18.184 1.00 52.23 C ATOM 1539 C GLY A 94 -4.384 3.252 18.866 1.00 4.20 C ATOM 1540 O GLY A 94 -4.696 2.639 19.887 1.00 40.34 O ATOM 0 H GLY A 94 -3.116 3.230 16.109 1.00 11.04 H new ATOM 0 HA2 GLY A 94 -2.475 2.275 18.754 1.00 52.23 H new ATOM 0 HA3 GLY A 94 -2.470 3.925 18.163 1.00 52.23 H new ATOM 1544 N GLU A 95 -5.185 4.140 18.259 1.00 63.41 N ATOM 1545 CA GLU A 95 -6.570 4.404 18.669 1.00 54.12 C ATOM 1546 C GLU A 95 -7.458 3.258 18.151 1.00 44.24 C ATOM 1547 O GLU A 95 -8.212 2.638 18.909 1.00 75.31 O ATOM 1548 CB GLU A 95 -7.026 5.786 18.087 1.00 64.30 C ATOM 1549 CG GLU A 95 -8.337 6.394 18.664 1.00 64.24 C ATOM 1550 CD GLU A 95 -9.624 5.619 18.319 1.00 32.25 C ATOM 1551 OE1 GLU A 95 -10.002 5.580 17.126 1.00 23.23 O ATOM 1552 OE2 GLU A 95 -10.252 5.029 19.230 1.00 5.45 O ATOM 0 H GLU A 95 -4.885 4.700 17.461 1.00 63.41 H new ATOM 0 HA GLU A 95 -6.653 4.451 19.755 1.00 54.12 H new ATOM 0 HB2 GLU A 95 -6.221 6.503 18.246 1.00 64.30 H new ATOM 0 HB3 GLU A 95 -7.148 5.677 17.009 1.00 64.30 H new ATOM 0 HG2 GLU A 95 -8.246 6.452 19.749 1.00 64.24 H new ATOM 0 HG3 GLU A 95 -8.437 7.416 18.298 1.00 64.24 H new ATOM 1559 N ARG A 96 -7.324 2.984 16.836 1.00 12.42 N ATOM 1560 CA ARG A 96 -8.205 2.063 16.094 1.00 13.33 C ATOM 1561 C ARG A 96 -8.097 0.590 16.542 1.00 52.33 C ATOM 1562 O ARG A 96 -8.908 -0.218 16.104 1.00 30.04 O ATOM 1563 CB ARG A 96 -7.960 2.198 14.563 1.00 42.33 C ATOM 1564 CG ARG A 96 -8.419 3.550 13.968 1.00 20.42 C ATOM 1565 CD ARG A 96 -9.938 3.761 14.106 1.00 10.42 C ATOM 1566 NE ARG A 96 -10.361 5.082 13.620 1.00 4.34 N ATOM 1567 CZ ARG A 96 -11.635 5.515 13.565 1.00 21.23 C ATOM 1568 NH1 ARG A 96 -12.644 4.746 13.962 1.00 23.33 N ATOM 1569 NH2 ARG A 96 -11.887 6.730 13.114 1.00 61.24 N ATOM 0 H ARG A 96 -6.595 3.400 16.257 1.00 12.42 H new ATOM 0 HA ARG A 96 -9.226 2.364 16.330 1.00 13.33 H new ATOM 0 HB2 ARG A 96 -6.897 2.067 14.363 1.00 42.33 H new ATOM 0 HB3 ARG A 96 -8.482 1.391 14.049 1.00 42.33 H new ATOM 0 HG2 ARG A 96 -7.894 4.363 14.470 1.00 20.42 H new ATOM 0 HG3 ARG A 96 -8.142 3.594 12.915 1.00 20.42 H new ATOM 0 HD2 ARG A 96 -10.463 2.985 13.549 1.00 10.42 H new ATOM 0 HD3 ARG A 96 -10.225 3.651 15.152 1.00 10.42 H new ATOM 0 HE ARG A 96 -9.633 5.720 13.299 1.00 4.34 H new ATOM 0 HH11 ARG A 96 -12.461 3.808 14.317 1.00 23.33 H new ATOM 0 HH12 ARG A 96 -13.601 5.094 13.912 1.00 23.33 H new ATOM 0 HH21 ARG A 96 -11.120 7.331 12.811 1.00 61.24 H new ATOM 0 HH22 ARG A 96 -12.848 7.068 13.068 1.00 61.24 H new ATOM 1583 N ALA A 97 -7.100 0.242 17.401 1.00 12.34 N ATOM 1584 CA ALA A 97 -6.984 -1.121 17.984 1.00 0.33 C ATOM 1585 C ALA A 97 -8.271 -1.526 18.719 1.00 3.51 C ATOM 1586 O ALA A 97 -8.814 -2.603 18.488 1.00 4.10 O ATOM 1587 CB ALA A 97 -5.797 -1.219 18.953 1.00 75.33 C ATOM 0 H ALA A 97 -6.368 0.885 17.703 1.00 12.34 H new ATOM 0 HA ALA A 97 -6.819 -1.805 17.151 1.00 0.33 H new ATOM 0 HB1 ALA A 97 -5.742 -2.229 19.360 1.00 75.33 H new ATOM 0 HB2 ALA A 97 -4.873 -0.992 18.421 1.00 75.33 H new ATOM 0 HB3 ALA A 97 -5.932 -0.506 19.767 1.00 75.33 H new ATOM 1593 N SER A 98 -8.775 -0.611 19.550 1.00 11.14 N ATOM 1594 CA SER A 98 -9.786 -0.921 20.573 1.00 12.33 C ATOM 1595 C SER A 98 -11.197 -1.199 19.987 1.00 31.10 C ATOM 1596 O SER A 98 -12.093 -1.629 20.720 1.00 53.11 O ATOM 1597 CB SER A 98 -9.809 0.224 21.615 1.00 70.11 C ATOM 1598 OG SER A 98 -10.694 -0.031 22.697 1.00 3.33 O ATOM 0 H SER A 98 -8.495 0.370 19.535 1.00 11.14 H new ATOM 0 HA SER A 98 -9.500 -1.855 21.057 1.00 12.33 H new ATOM 0 HB2 SER A 98 -8.802 0.375 22.004 1.00 70.11 H new ATOM 0 HB3 SER A 98 -10.103 1.151 21.122 1.00 70.11 H new ATOM 0 HG SER A 98 -11.371 -0.683 22.419 1.00 3.33 H new ATOM 1604 N GLU A 99 -11.407 -0.961 18.675 1.00 64.33 N ATOM 1605 CA GLU A 99 -12.697 -1.282 18.021 1.00 2.13 C ATOM 1606 C GLU A 99 -12.715 -2.720 17.453 1.00 22.21 C ATOM 1607 O GLU A 99 -13.784 -3.332 17.384 1.00 64.12 O ATOM 1608 CB GLU A 99 -13.060 -0.249 16.926 1.00 4.33 C ATOM 1609 CG GLU A 99 -12.021 -0.096 15.798 1.00 20.14 C ATOM 1610 CD GLU A 99 -12.497 0.816 14.659 1.00 71.34 C ATOM 1611 OE1 GLU A 99 -12.762 2.011 14.925 1.00 23.05 O ATOM 1612 OE2 GLU A 99 -12.636 0.347 13.507 1.00 75.31 O ATOM 0 H GLU A 99 -10.710 -0.553 18.052 1.00 64.33 H new ATOM 0 HA GLU A 99 -13.462 -1.225 18.796 1.00 2.13 H new ATOM 0 HB2 GLU A 99 -14.014 -0.533 16.483 1.00 4.33 H new ATOM 0 HB3 GLU A 99 -13.205 0.722 17.399 1.00 4.33 H new ATOM 0 HG2 GLU A 99 -11.098 0.306 16.215 1.00 20.14 H new ATOM 0 HG3 GLU A 99 -11.786 -1.080 15.393 1.00 20.14 H new ATOM 1619 N TRP A 100 -11.545 -3.261 17.039 1.00 42.34 N ATOM 1620 CA TRP A 100 -11.440 -4.682 16.582 1.00 44.14 C ATOM 1621 C TRP A 100 -10.851 -5.577 17.694 1.00 65.05 C ATOM 1622 O TRP A 100 -10.794 -6.805 17.549 1.00 73.31 O ATOM 1623 CB TRP A 100 -10.661 -4.818 15.236 1.00 64.22 C ATOM 1624 CG TRP A 100 -9.218 -4.360 15.244 1.00 35.33 C ATOM 1625 CD1 TRP A 100 -8.773 -3.080 15.333 1.00 34.15 C ATOM 1626 CD2 TRP A 100 -8.040 -5.179 15.124 1.00 10.43 C ATOM 1627 NE1 TRP A 100 -7.406 -3.042 15.292 1.00 42.24 N ATOM 1628 CE2 TRP A 100 -6.929 -4.313 15.162 1.00 60.21 C ATOM 1629 CE3 TRP A 100 -7.818 -6.555 14.993 1.00 10.45 C ATOM 1630 CZ2 TRP A 100 -5.622 -4.773 15.081 1.00 34.42 C ATOM 1631 CZ3 TRP A 100 -6.512 -7.015 14.913 1.00 72.42 C ATOM 1632 CH2 TRP A 100 -5.432 -6.125 14.959 1.00 14.03 C ATOM 0 H TRP A 100 -10.664 -2.747 17.009 1.00 42.34 H new ATOM 0 HA TRP A 100 -12.451 -5.035 16.378 1.00 44.14 H new ATOM 0 HB2 TRP A 100 -10.686 -5.864 14.931 1.00 64.22 H new ATOM 0 HB3 TRP A 100 -11.195 -4.251 14.473 1.00 64.22 H new ATOM 0 HD1 TRP A 100 -9.410 -2.212 15.424 1.00 34.15 H new ATOM 0 HE1 TRP A 100 -6.835 -2.199 15.349 1.00 42.24 H new ATOM 0 HE3 TRP A 100 -8.648 -7.245 14.955 1.00 10.45 H new ATOM 0 HZ2 TRP A 100 -4.785 -4.091 15.113 1.00 34.42 H new ATOM 0 HZ3 TRP A 100 -6.325 -8.074 14.814 1.00 72.42 H new ATOM 0 HH2 TRP A 100 -4.426 -6.513 14.897 1.00 14.03 H new ATOM 1643 N ILE A 101 -10.411 -4.940 18.800 1.00 44.44 N ATOM 1644 CA ILE A 101 -10.121 -5.611 20.085 1.00 71.12 C ATOM 1645 C ILE A 101 -11.287 -5.256 21.028 1.00 1.21 C ATOM 1646 O ILE A 101 -11.358 -4.136 21.546 1.00 64.32 O ATOM 1647 CB ILE A 101 -8.719 -5.187 20.743 1.00 45.12 C ATOM 1648 CG1 ILE A 101 -7.487 -5.824 20.000 1.00 20.24 C ATOM 1649 CG2 ILE A 101 -8.650 -5.537 22.256 1.00 71.13 C ATOM 1650 CD1 ILE A 101 -7.212 -5.307 18.608 1.00 32.04 C ATOM 0 H ILE A 101 -10.245 -3.934 18.826 1.00 44.44 H new ATOM 0 HA ILE A 101 -10.031 -6.683 19.913 1.00 71.12 H new ATOM 0 HB ILE A 101 -8.664 -4.104 20.632 1.00 45.12 H new ATOM 0 HG12 ILE A 101 -6.597 -5.661 20.609 1.00 20.24 H new ATOM 0 HG13 ILE A 101 -7.641 -6.902 19.942 1.00 20.24 H new ATOM 0 HG21 ILE A 101 -7.683 -5.231 22.656 1.00 71.13 H new ATOM 0 HG22 ILE A 101 -9.445 -5.013 22.787 1.00 71.13 H new ATOM 0 HG23 ILE A 101 -8.773 -6.612 22.387 1.00 71.13 H new ATOM 0 HD11 ILE A 101 -6.342 -5.817 18.196 1.00 32.04 H new ATOM 0 HD12 ILE A 101 -8.078 -5.495 17.973 1.00 32.04 H new ATOM 0 HD13 ILE A 101 -7.018 -4.235 18.650 1.00 32.04 H new ATOM 1662 N ILE A 102 -12.237 -6.186 21.174 1.00 53.45 N ATOM 1663 CA ILE A 102 -13.387 -6.038 22.088 1.00 62.42 C ATOM 1664 C ILE A 102 -13.216 -7.027 23.245 1.00 60.31 C ATOM 1665 O ILE A 102 -13.138 -8.236 23.025 1.00 11.14 O ATOM 1666 CB ILE A 102 -14.755 -6.277 21.342 1.00 22.21 C ATOM 1667 CG1 ILE A 102 -14.928 -5.253 20.172 1.00 10.10 C ATOM 1668 CG2 ILE A 102 -15.955 -6.221 22.324 1.00 74.32 C ATOM 1669 CD1 ILE A 102 -14.923 -3.789 20.586 1.00 42.44 C ATOM 0 H ILE A 102 -12.235 -7.068 20.662 1.00 53.45 H new ATOM 0 HA ILE A 102 -13.413 -5.018 22.471 1.00 62.42 H new ATOM 0 HB ILE A 102 -14.736 -7.280 20.915 1.00 22.21 H new ATOM 0 HG12 ILE A 102 -14.127 -5.412 19.450 1.00 10.10 H new ATOM 0 HG13 ILE A 102 -15.866 -5.466 19.660 1.00 10.10 H new ATOM 0 HG21 ILE A 102 -16.882 -6.390 21.776 1.00 74.32 H new ATOM 0 HG22 ILE A 102 -15.838 -6.992 23.086 1.00 74.32 H new ATOM 0 HG23 ILE A 102 -15.989 -5.242 22.801 1.00 74.32 H new ATOM 0 HD11 ILE A 102 -15.049 -3.161 19.704 1.00 42.44 H new ATOM 0 HD12 ILE A 102 -15.741 -3.605 21.282 1.00 42.44 H new ATOM 0 HD13 ILE A 102 -13.975 -3.551 21.069 1.00 42.44 H new ATOM 1681 N LEU A 103 -13.130 -6.497 24.479 1.00 65.45 N ATOM 1682 CA LEU A 103 -12.890 -7.300 25.688 1.00 74.43 C ATOM 1683 C LEU A 103 -14.059 -7.110 26.670 1.00 52.14 C ATOM 1684 O LEU A 103 -14.084 -6.155 27.462 1.00 12.32 O ATOM 1685 CB LEU A 103 -11.522 -6.923 26.333 1.00 64.52 C ATOM 1686 CG LEU A 103 -10.243 -7.211 25.471 1.00 14.03 C ATOM 1687 CD1 LEU A 103 -8.966 -6.725 26.184 1.00 13.44 C ATOM 1688 CD2 LEU A 103 -10.135 -8.708 25.098 1.00 13.15 C ATOM 0 H LEU A 103 -13.225 -5.498 24.664 1.00 65.45 H new ATOM 0 HA LEU A 103 -12.837 -8.356 25.421 1.00 74.43 H new ATOM 0 HB2 LEU A 103 -11.539 -5.860 26.575 1.00 64.52 H new ATOM 0 HB3 LEU A 103 -11.428 -7.463 27.275 1.00 64.52 H new ATOM 0 HG LEU A 103 -10.343 -6.647 24.544 1.00 14.03 H new ATOM 0 HD11 LEU A 103 -8.098 -6.939 25.561 1.00 13.44 H new ATOM 0 HD12 LEU A 103 -9.032 -5.651 26.357 1.00 13.44 H new ATOM 0 HD13 LEU A 103 -8.864 -7.241 27.139 1.00 13.44 H new ATOM 0 HD21 LEU A 103 -9.237 -8.870 24.501 1.00 13.15 H new ATOM 0 HD22 LEU A 103 -10.079 -9.306 26.007 1.00 13.15 H new ATOM 0 HD23 LEU A 103 -11.012 -9.004 24.522 1.00 13.15 H new ATOM 1700 N GLU A 104 -15.040 -8.021 26.579 1.00 4.13 N ATOM 1701 CA GLU A 104 -16.244 -8.038 27.431 1.00 3.13 C ATOM 1702 C GLU A 104 -16.484 -9.477 27.962 1.00 41.13 C ATOM 1703 O GLU A 104 -16.722 -9.652 29.174 1.00 42.21 O ATOM 1704 CB GLU A 104 -17.478 -7.487 26.655 1.00 51.44 C ATOM 1705 CG GLU A 104 -17.791 -8.196 25.319 1.00 74.25 C ATOM 1706 CD GLU A 104 -19.117 -7.738 24.690 1.00 42.13 C ATOM 1707 OE1 GLU A 104 -20.185 -8.304 25.034 1.00 73.23 O ATOM 1708 OE2 GLU A 104 -19.107 -6.802 23.865 1.00 51.44 O ATOM 0 H GLU A 104 -15.020 -8.781 25.899 1.00 4.13 H new ATOM 0 HA GLU A 104 -16.092 -7.382 28.288 1.00 3.13 H new ATOM 0 HB2 GLU A 104 -18.354 -7.561 27.300 1.00 51.44 H new ATOM 0 HB3 GLU A 104 -17.317 -6.428 26.456 1.00 51.44 H new ATOM 0 HG2 GLU A 104 -16.979 -8.009 24.616 1.00 74.25 H new ATOM 0 HG3 GLU A 104 -17.827 -9.273 25.486 1.00 74.25 H new TER 1715 GLU A 104