USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 812 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 52 TYR OH : rot 180:sc= 0.638 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 167:sc= 0.701 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 HIS : no HD1:sc= -1 X(o=-1,f=-0.9) USER MOD Set 3.2: A 18 THR OG1 : rot -170:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.554 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.175 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.606 K(o=-0.61,f=-2.2!) USER MOD Single : A 37 SER OG : rot -69:sc= 0.309 USER MOD Single : A 39 SER OG : rot 53:sc= 0.164 USER MOD Single : A 51 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.21) USER MOD Single : A 56 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -101:sc= 1.29 USER MOD Single : A 78 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.085) USER MOD Single : A 80 SER OG : rot 160:sc= -1.06 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00218 USER MOD Single : A 87 TYR OH : rot -161:sc= 1.05 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.702 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00804) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -167:sc= 1.26 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.906 -1.397 8.213 1.00 73.52 N ATOM 9 CA MET A 2 18.609 -0.953 7.701 1.00 42.42 C ATOM 10 C MET A 2 17.853 -2.067 6.977 1.00 11.45 C ATOM 11 O MET A 2 18.433 -2.957 6.342 1.00 0.11 O ATOM 12 CB MET A 2 18.757 0.287 6.797 1.00 65.20 C ATOM 13 CG MET A 2 18.765 1.587 7.604 1.00 42.43 C ATOM 14 SD MET A 2 20.051 1.717 8.876 1.00 33.51 S ATOM 15 CE MET A 2 21.461 2.243 7.881 1.00 24.11 C ATOM 0 HA MET A 2 18.012 -0.674 8.570 1.00 42.42 H new ATOM 0 HB2 MET A 2 19.681 0.210 6.224 1.00 65.20 H new ATOM 0 HB3 MET A 2 17.938 0.312 6.078 1.00 65.20 H new ATOM 0 HG2 MET A 2 18.879 2.422 6.912 1.00 42.43 H new ATOM 0 HG3 MET A 2 17.793 1.701 8.084 1.00 42.43 H new ATOM 0 HE1 MET A 2 22.333 2.367 8.523 1.00 24.11 H new ATOM 0 HE2 MET A 2 21.672 1.489 7.122 1.00 24.11 H new ATOM 0 HE3 MET A 2 21.230 3.191 7.396 1.00 24.11 H new ATOM 25 N ARG A 3 16.527 -1.958 7.032 1.00 32.43 N ATOM 26 CA ARG A 3 15.526 -2.840 6.451 1.00 11.35 C ATOM 27 C ARG A 3 15.303 -2.466 4.986 1.00 34.15 C ATOM 28 O ARG A 3 14.205 -2.104 4.578 1.00 61.51 O ATOM 29 CB ARG A 3 14.254 -2.713 7.317 1.00 0.35 C ATOM 30 CG ARG A 3 14.249 -3.692 8.498 1.00 74.42 C ATOM 31 CD ARG A 3 13.500 -4.986 8.157 1.00 71.13 C ATOM 32 NE ARG A 3 13.461 -5.934 9.276 1.00 73.43 N ATOM 33 CZ ARG A 3 14.322 -6.919 9.546 1.00 61.21 C ATOM 34 NH1 ARG A 3 15.480 -7.003 8.900 1.00 42.10 N ATOM 35 NH2 ARG A 3 13.997 -7.811 10.470 1.00 31.12 N ATOM 0 H ARG A 3 16.091 -1.181 7.529 1.00 32.43 H new ATOM 0 HA ARG A 3 15.841 -3.883 6.449 1.00 11.35 H new ATOM 0 HB2 ARG A 3 14.175 -1.693 7.694 1.00 0.35 H new ATOM 0 HB3 ARG A 3 13.376 -2.892 6.696 1.00 0.35 H new ATOM 0 HG2 ARG A 3 15.275 -3.929 8.779 1.00 74.42 H new ATOM 0 HG3 ARG A 3 13.783 -3.218 9.362 1.00 74.42 H new ATOM 0 HD2 ARG A 3 12.481 -4.742 7.858 1.00 71.13 H new ATOM 0 HD3 ARG A 3 13.978 -5.462 7.301 1.00 71.13 H new ATOM 0 HE ARG A 3 12.682 -5.828 9.926 1.00 73.43 H new ATOM 0 HH11 ARG A 3 15.719 -6.311 8.190 1.00 42.10 H new ATOM 0 HH12 ARG A 3 16.130 -7.759 9.114 1.00 42.10 H new ATOM 0 HH21 ARG A 3 13.105 -7.737 10.959 1.00 31.12 H new ATOM 0 HH22 ARG A 3 14.639 -8.572 10.693 1.00 31.12 H new ATOM 49 N ILE A 4 16.343 -2.575 4.175 1.00 11.34 N ATOM 50 CA ILE A 4 16.229 -2.347 2.742 1.00 65.44 C ATOM 51 C ILE A 4 15.939 -3.721 2.126 1.00 10.24 C ATOM 52 O ILE A 4 16.806 -4.592 2.257 1.00 13.01 O ATOM 53 CB ILE A 4 17.540 -1.743 2.210 1.00 52.24 C ATOM 54 CG1 ILE A 4 17.922 -0.442 2.950 1.00 42.40 C ATOM 55 CG2 ILE A 4 17.431 -1.463 0.703 1.00 5.05 C ATOM 56 CD1 ILE A 4 19.425 -0.370 3.194 1.00 73.51 C ATOM 0 H ILE A 4 17.282 -2.822 4.487 1.00 11.34 H new ATOM 0 HA ILE A 4 15.437 -1.642 2.489 1.00 65.44 H new ATOM 0 HB ILE A 4 18.325 -2.477 2.391 1.00 52.24 H new ATOM 0 HG12 ILE A 4 17.604 0.420 2.364 1.00 42.40 H new ATOM 0 HG13 ILE A 4 17.393 -0.393 3.902 1.00 42.40 H new ATOM 0 HG21 ILE A 4 18.367 -1.036 0.344 1.00 5.05 H new ATOM 0 HG22 ILE A 4 17.230 -2.394 0.173 1.00 5.05 H new ATOM 0 HG23 ILE A 4 16.618 -0.760 0.521 1.00 5.05 H new ATOM 0 HD11 ILE A 4 19.665 0.556 3.716 1.00 73.51 H new ATOM 0 HD12 ILE A 4 19.736 -1.220 3.801 1.00 73.51 H new ATOM 0 HD13 ILE A 4 19.950 -0.394 2.239 1.00 73.51 H new ATOM 68 N PRO A 5 14.789 -3.987 1.481 1.00 63.50 N ATOM 69 CA PRO A 5 14.660 -5.195 0.682 1.00 34.12 C ATOM 70 C PRO A 5 15.653 -5.156 -0.473 1.00 65.54 C ATOM 71 O PRO A 5 15.879 -4.116 -1.097 1.00 62.54 O ATOM 72 CB PRO A 5 13.204 -5.260 0.196 1.00 31.52 C ATOM 73 CG PRO A 5 12.786 -3.801 0.224 1.00 61.40 C ATOM 74 CD PRO A 5 13.583 -3.183 1.379 1.00 32.14 C ATOM 0 HA PRO A 5 14.888 -6.091 1.260 1.00 34.12 H new ATOM 0 HB2 PRO A 5 13.128 -5.685 -0.805 1.00 31.52 H new ATOM 0 HB3 PRO A 5 12.584 -5.873 0.850 1.00 31.52 H new ATOM 0 HG2 PRO A 5 13.013 -3.307 -0.721 1.00 61.40 H new ATOM 0 HG3 PRO A 5 11.713 -3.701 0.387 1.00 61.40 H new ATOM 0 HD2 PRO A 5 13.822 -2.138 1.179 1.00 32.14 H new ATOM 0 HD3 PRO A 5 13.014 -3.207 2.308 1.00 32.14 H new ATOM 82 N SER A 6 16.251 -6.309 -0.761 1.00 33.13 N ATOM 83 CA SER A 6 17.017 -6.462 -1.980 1.00 2.03 C ATOM 84 C SER A 6 16.110 -6.934 -3.111 1.00 45.32 C ATOM 85 O SER A 6 16.435 -6.614 -4.254 1.00 44.04 O ATOM 86 CB SER A 6 18.225 -7.374 -1.778 1.00 25.52 C ATOM 87 OG SER A 6 19.305 -6.621 -1.253 1.00 30.31 O ATOM 0 H SER A 6 16.217 -7.139 -0.169 1.00 33.13 H new ATOM 0 HA SER A 6 17.421 -5.490 -2.262 1.00 2.03 H new ATOM 0 HB2 SER A 6 17.970 -8.187 -1.098 1.00 25.52 H new ATOM 0 HB3 SER A 6 18.512 -7.829 -2.726 1.00 25.52 H new ATOM 0 HG SER A 6 20.079 -7.207 -1.122 1.00 30.31 H new ATOM 93 N ALA A 7 14.980 -7.605 -2.831 1.00 54.31 N ATOM 94 CA ALA A 7 14.027 -7.966 -3.869 1.00 71.24 C ATOM 95 C ALA A 7 12.942 -6.896 -3.883 1.00 2.45 C ATOM 96 O ALA A 7 12.109 -6.856 -2.977 1.00 63.21 O ATOM 97 CB ALA A 7 13.481 -9.385 -3.642 1.00 65.11 C ATOM 0 H ALA A 7 14.713 -7.904 -1.893 1.00 54.31 H new ATOM 0 HA ALA A 7 14.501 -7.997 -4.850 1.00 71.24 H new ATOM 0 HB1 ALA A 7 12.770 -9.632 -4.431 1.00 65.11 H new ATOM 0 HB2 ALA A 7 14.305 -10.099 -3.659 1.00 65.11 H new ATOM 0 HB3 ALA A 7 12.980 -9.432 -2.675 1.00 65.11 H new ATOM 103 N ILE A 8 12.981 -6.020 -4.885 1.00 5.05 N ATOM 104 CA ILE A 8 11.862 -5.190 -5.297 1.00 4.02 C ATOM 105 C ILE A 8 11.404 -5.814 -6.617 1.00 10.11 C ATOM 106 O ILE A 8 11.839 -5.407 -7.700 1.00 72.54 O ATOM 107 CB ILE A 8 12.259 -3.699 -5.454 1.00 30.41 C ATOM 108 CG1 ILE A 8 12.814 -3.053 -4.171 1.00 52.43 C ATOM 109 CG2 ILE A 8 11.112 -2.844 -6.036 1.00 31.24 C ATOM 110 CD1 ILE A 8 11.807 -2.984 -3.027 1.00 53.34 C ATOM 0 H ILE A 8 13.819 -5.867 -5.446 1.00 5.05 H new ATOM 0 HA ILE A 8 11.066 -5.171 -4.552 1.00 4.02 H new ATOM 0 HB ILE A 8 13.080 -3.714 -6.171 1.00 30.41 H new ATOM 0 HG12 ILE A 8 13.686 -3.617 -3.840 1.00 52.43 H new ATOM 0 HG13 ILE A 8 13.155 -2.044 -4.403 1.00 52.43 H new ATOM 0 HG21 ILE A 8 11.440 -1.808 -6.126 1.00 31.24 H new ATOM 0 HG22 ILE A 8 10.837 -3.225 -7.020 1.00 31.24 H new ATOM 0 HG23 ILE A 8 10.248 -2.895 -5.373 1.00 31.24 H new ATOM 0 HD11 ILE A 8 12.273 -2.517 -2.160 1.00 53.34 H new ATOM 0 HD12 ILE A 8 10.944 -2.395 -3.337 1.00 53.34 H new ATOM 0 HD13 ILE A 8 11.483 -3.992 -2.766 1.00 53.34 H new ATOM 122 N GLN A 9 10.571 -6.848 -6.543 1.00 2.11 N ATOM 123 CA GLN A 9 9.770 -7.260 -7.682 1.00 62.35 C ATOM 124 C GLN A 9 8.528 -6.402 -7.694 1.00 64.20 C ATOM 125 O GLN A 9 7.544 -6.726 -7.050 1.00 3.14 O ATOM 126 CB GLN A 9 9.402 -8.747 -7.663 1.00 5.30 C ATOM 127 CG GLN A 9 10.544 -9.555 -8.253 1.00 23.41 C ATOM 128 CD GLN A 9 10.134 -10.958 -8.691 1.00 45.25 C ATOM 129 OE1 GLN A 9 10.176 -11.277 -9.879 1.00 33.41 O ATOM 130 NE2 GLN A 9 9.726 -11.819 -7.788 1.00 4.10 N ATOM 0 H GLN A 9 10.436 -7.413 -5.705 1.00 2.11 H new ATOM 0 HA GLN A 9 10.358 -7.124 -8.589 1.00 62.35 H new ATOM 0 HB2 GLN A 9 9.202 -9.071 -6.642 1.00 5.30 H new ATOM 0 HB3 GLN A 9 8.489 -8.915 -8.235 1.00 5.30 H new ATOM 0 HG2 GLN A 9 10.952 -9.020 -9.110 1.00 23.41 H new ATOM 0 HG3 GLN A 9 11.343 -9.632 -7.516 1.00 23.41 H new ATOM 0 HE21 GLN A 9 9.693 -11.550 -6.805 1.00 4.10 H new ATOM 0 HE22 GLN A 9 9.442 -12.757 -8.070 1.00 4.10 H new ATOM 139 N LEU A 10 8.567 -5.333 -8.478 1.00 1.41 N ATOM 140 CA LEU A 10 7.391 -4.503 -8.745 1.00 4.44 C ATOM 141 C LEU A 10 6.378 -5.188 -9.675 1.00 22.23 C ATOM 142 O LEU A 10 5.311 -4.619 -9.913 1.00 34.14 O ATOM 143 CB LEU A 10 7.821 -3.123 -9.276 1.00 44.43 C ATOM 144 CG LEU A 10 8.173 -3.031 -10.776 1.00 54.53 C ATOM 145 CD1 LEU A 10 8.617 -1.601 -11.102 1.00 63.23 C ATOM 146 CD2 LEU A 10 9.282 -4.002 -11.204 1.00 74.21 C ATOM 0 H LEU A 10 9.413 -5.013 -8.949 1.00 1.41 H new ATOM 0 HA LEU A 10 6.869 -4.359 -7.799 1.00 4.44 H new ATOM 0 HB2 LEU A 10 7.017 -2.416 -9.072 1.00 44.43 H new ATOM 0 HB3 LEU A 10 8.688 -2.794 -8.703 1.00 44.43 H new ATOM 0 HG LEU A 10 7.274 -3.307 -11.327 1.00 54.53 H new ATOM 0 HD11 LEU A 10 8.867 -1.530 -12.161 1.00 63.23 H new ATOM 0 HD12 LEU A 10 7.808 -0.908 -10.873 1.00 63.23 H new ATOM 0 HD13 LEU A 10 9.493 -1.347 -10.505 1.00 63.23 H new ATOM 0 HD21 LEU A 10 9.478 -3.883 -12.270 1.00 74.21 H new ATOM 0 HD22 LEU A 10 10.191 -3.787 -10.642 1.00 74.21 H new ATOM 0 HD23 LEU A 10 8.966 -5.026 -11.005 1.00 74.21 H new ATOM 158 N HIS A 11 6.722 -6.371 -10.205 1.00 71.21 N ATOM 159 CA HIS A 11 5.951 -7.194 -11.129 1.00 32.23 C ATOM 160 C HIS A 11 5.325 -6.345 -12.229 1.00 73.15 C ATOM 161 O HIS A 11 4.122 -6.127 -12.219 1.00 32.33 O ATOM 162 CB HIS A 11 4.929 -8.081 -10.384 1.00 5.43 C ATOM 163 CG HIS A 11 5.547 -9.245 -9.658 1.00 10.40 C ATOM 164 ND1 HIS A 11 5.800 -10.483 -10.201 1.00 24.13 N ATOM 165 CD2 HIS A 11 5.963 -9.273 -8.355 1.00 21.20 C ATOM 166 CE1 HIS A 11 6.361 -11.240 -9.245 1.00 51.44 C ATOM 167 NE2 HIS A 11 6.445 -10.558 -8.090 1.00 63.11 N ATOM 0 H HIS A 11 7.617 -6.804 -9.977 1.00 71.21 H new ATOM 0 HA HIS A 11 6.635 -7.883 -11.625 1.00 32.23 H new ATOM 0 HB2 HIS A 11 4.384 -7.467 -9.668 1.00 5.43 H new ATOM 0 HB3 HIS A 11 4.200 -8.458 -11.101 1.00 5.43 H new ATOM 0 HD2 HIS A 11 5.926 -8.450 -7.657 1.00 21.20 H new ATOM 0 HE1 HIS A 11 6.698 -12.256 -9.385 1.00 51.44 H new ATOM 0 HE2 HIS A 11 6.792 -10.909 -7.197 1.00 63.11 H new ATOM 175 N LYS A 12 6.108 -5.867 -13.204 1.00 4.24 N ATOM 176 CA LYS A 12 5.626 -4.866 -14.162 1.00 31.31 C ATOM 177 C LYS A 12 4.497 -5.370 -15.086 1.00 5.11 C ATOM 178 O LYS A 12 3.882 -4.562 -15.780 1.00 52.20 O ATOM 179 CB LYS A 12 6.816 -4.309 -14.962 1.00 61.44 C ATOM 180 CG LYS A 12 6.965 -2.789 -14.870 1.00 70.24 C ATOM 181 CD LYS A 12 5.855 -1.996 -15.573 1.00 50.23 C ATOM 182 CE LYS A 12 6.367 -0.606 -15.962 1.00 14.42 C ATOM 183 NZ LYS A 12 7.069 -0.591 -17.259 1.00 42.20 N ATOM 0 H LYS A 12 7.075 -6.157 -13.350 1.00 4.24 H new ATOM 0 HA LYS A 12 5.166 -4.064 -13.585 1.00 31.31 H new ATOM 0 HB2 LYS A 12 7.733 -4.777 -14.604 1.00 61.44 H new ATOM 0 HB3 LYS A 12 6.702 -4.591 -16.009 1.00 61.44 H new ATOM 0 HG2 LYS A 12 6.989 -2.502 -13.819 1.00 70.24 H new ATOM 0 HG3 LYS A 12 7.925 -2.504 -15.300 1.00 70.24 H new ATOM 0 HD2 LYS A 12 5.522 -2.531 -16.462 1.00 50.23 H new ATOM 0 HD3 LYS A 12 4.991 -1.903 -14.915 1.00 50.23 H new ATOM 0 HE2 LYS A 12 5.526 0.086 -16.003 1.00 14.42 H new ATOM 0 HE3 LYS A 12 7.041 -0.243 -15.186 1.00 14.42 H new ATOM 0 HZ1 LYS A 12 7.392 0.375 -17.468 1.00 42.20 H new ATOM 0 HZ2 LYS A 12 7.890 -1.229 -17.217 1.00 42.20 H new ATOM 0 HZ3 LYS A 12 6.421 -0.909 -18.008 1.00 42.20 H new ATOM 197 N ALA A 13 4.177 -6.669 -15.069 1.00 50.41 N ATOM 198 CA ALA A 13 3.031 -7.261 -15.758 1.00 2.53 C ATOM 199 C ALA A 13 1.838 -7.553 -14.831 1.00 5.42 C ATOM 200 O ALA A 13 0.735 -7.821 -15.315 1.00 1.24 O ATOM 201 CB ALA A 13 3.501 -8.571 -16.386 1.00 64.04 C ATOM 0 H ALA A 13 4.729 -7.358 -14.557 1.00 50.41 H new ATOM 0 HA ALA A 13 2.678 -6.543 -16.498 1.00 2.53 H new ATOM 0 HB1 ALA A 13 2.670 -9.042 -16.910 1.00 64.04 H new ATOM 0 HB2 ALA A 13 4.307 -8.368 -17.092 1.00 64.04 H new ATOM 0 HB3 ALA A 13 3.863 -9.240 -15.605 1.00 64.04 H new ATOM 207 N SER A 14 2.043 -7.550 -13.513 1.00 64.05 N ATOM 208 CA SER A 14 1.124 -8.115 -12.519 1.00 53.51 C ATOM 209 C SER A 14 0.879 -7.151 -11.344 1.00 23.20 C ATOM 210 O SER A 14 0.043 -7.413 -10.487 1.00 63.14 O ATOM 211 CB SER A 14 1.649 -9.475 -12.034 1.00 14.24 C ATOM 212 OG SER A 14 2.520 -10.111 -12.962 1.00 11.42 O ATOM 0 H SER A 14 2.878 -7.142 -13.093 1.00 64.05 H new ATOM 0 HA SER A 14 0.157 -8.266 -12.999 1.00 53.51 H new ATOM 0 HB2 SER A 14 2.176 -9.336 -11.090 1.00 14.24 H new ATOM 0 HB3 SER A 14 0.803 -10.132 -11.833 1.00 14.24 H new ATOM 0 HG SER A 14 2.820 -10.969 -12.594 1.00 11.42 H new ATOM 218 N LYS A 15 1.552 -5.997 -11.358 1.00 45.24 N ATOM 219 CA LYS A 15 1.256 -4.771 -10.626 1.00 52.34 C ATOM 220 C LYS A 15 1.329 -4.976 -9.108 1.00 72.35 C ATOM 221 O LYS A 15 0.596 -4.343 -8.348 1.00 21.23 O ATOM 222 CB LYS A 15 -0.049 -4.110 -11.149 1.00 62.14 C ATOM 223 CG LYS A 15 -0.272 -4.399 -12.666 1.00 65.01 C ATOM 224 CD LYS A 15 -1.327 -3.684 -13.504 1.00 54.42 C ATOM 225 CE LYS A 15 -2.721 -3.926 -12.943 1.00 33.23 C ATOM 226 NZ LYS A 15 -3.643 -4.555 -13.911 1.00 64.03 N ATOM 0 H LYS A 15 2.389 -5.892 -11.932 1.00 45.24 H new ATOM 0 HA LYS A 15 2.040 -4.041 -10.827 1.00 52.34 H new ATOM 0 HB2 LYS A 15 -0.900 -4.482 -10.578 1.00 62.14 H new ATOM 0 HB3 LYS A 15 -0.002 -3.033 -10.986 1.00 62.14 H new ATOM 0 HG2 LYS A 15 0.685 -4.223 -13.158 1.00 65.01 H new ATOM 0 HG3 LYS A 15 -0.482 -5.465 -12.750 1.00 65.01 H new ATOM 0 HD2 LYS A 15 -1.119 -2.614 -13.523 1.00 54.42 H new ATOM 0 HD3 LYS A 15 -1.279 -4.036 -14.534 1.00 54.42 H new ATOM 0 HE2 LYS A 15 -2.644 -4.561 -12.061 1.00 33.23 H new ATOM 0 HE3 LYS A 15 -3.143 -2.976 -12.616 1.00 33.23 H new ATOM 0 HZ1 LYS A 15 -4.573 -4.692 -13.466 1.00 64.03 H new ATOM 0 HZ2 LYS A 15 -3.745 -3.940 -14.744 1.00 64.03 H new ATOM 0 HZ3 LYS A 15 -3.261 -5.477 -14.206 1.00 64.03 H new ATOM 240 N THR A 16 2.268 -5.814 -8.664 1.00 73.33 N ATOM 241 CA THR A 16 2.400 -6.262 -7.280 1.00 41.43 C ATOM 242 C THR A 16 3.826 -5.980 -6.806 1.00 24.43 C ATOM 243 O THR A 16 4.768 -6.372 -7.479 1.00 24.53 O ATOM 244 CB THR A 16 2.009 -7.748 -7.197 1.00 33.42 C ATOM 245 OG1 THR A 16 0.686 -7.933 -7.660 1.00 63.01 O ATOM 246 CG2 THR A 16 2.047 -8.326 -5.785 1.00 13.02 C ATOM 0 H THR A 16 2.979 -6.211 -9.279 1.00 73.33 H new ATOM 0 HA THR A 16 1.729 -5.720 -6.614 1.00 41.43 H new ATOM 0 HB THR A 16 2.749 -8.262 -7.810 1.00 33.42 H new ATOM 0 HG1 THR A 16 0.650 -7.764 -8.625 1.00 63.01 H new ATOM 0 HG21 THR A 16 1.758 -9.377 -5.814 1.00 13.02 H new ATOM 0 HG22 THR A 16 3.056 -8.238 -5.383 1.00 13.02 H new ATOM 0 HG23 THR A 16 1.353 -7.777 -5.148 1.00 13.02 H new ATOM 254 N LEU A 17 3.988 -5.238 -5.709 1.00 62.43 N ATOM 255 CA LEU A 17 5.244 -4.970 -5.014 1.00 13.04 C ATOM 256 C LEU A 17 5.565 -6.149 -4.095 1.00 14.21 C ATOM 257 O LEU A 17 4.963 -6.280 -3.033 1.00 1.33 O ATOM 258 CB LEU A 17 5.077 -3.692 -4.174 1.00 71.22 C ATOM 259 CG LEU A 17 6.321 -3.348 -3.301 1.00 54.12 C ATOM 260 CD1 LEU A 17 7.385 -2.556 -4.050 1.00 65.13 C ATOM 261 CD2 LEU A 17 5.897 -2.511 -2.086 1.00 33.11 C ATOM 0 H LEU A 17 3.196 -4.781 -5.256 1.00 62.43 H new ATOM 0 HA LEU A 17 6.054 -4.838 -5.731 1.00 13.04 H new ATOM 0 HB2 LEU A 17 4.869 -2.855 -4.840 1.00 71.22 H new ATOM 0 HB3 LEU A 17 4.209 -3.806 -3.525 1.00 71.22 H new ATOM 0 HG LEU A 17 6.748 -4.306 -3.005 1.00 54.12 H new ATOM 0 HD11 LEU A 17 8.222 -2.351 -3.383 1.00 65.13 H new ATOM 0 HD12 LEU A 17 7.735 -3.135 -4.905 1.00 65.13 H new ATOM 0 HD13 LEU A 17 6.960 -1.615 -4.399 1.00 65.13 H new ATOM 0 HD21 LEU A 17 6.774 -2.276 -1.482 1.00 33.11 H new ATOM 0 HD22 LEU A 17 5.432 -1.586 -2.426 1.00 33.11 H new ATOM 0 HD23 LEU A 17 5.184 -3.076 -1.486 1.00 33.11 H new ATOM 273 N THR A 18 6.552 -6.961 -4.439 1.00 2.10 N ATOM 274 CA THR A 18 6.943 -8.134 -3.657 1.00 4.14 C ATOM 275 C THR A 18 8.314 -7.981 -3.045 1.00 44.44 C ATOM 276 O THR A 18 9.227 -7.451 -3.684 1.00 51.13 O ATOM 277 CB THR A 18 6.853 -9.409 -4.513 1.00 23.12 C ATOM 278 OG1 THR A 18 5.645 -9.500 -5.246 1.00 63.23 O ATOM 279 CG2 THR A 18 7.037 -10.690 -3.698 1.00 50.44 C ATOM 0 H THR A 18 7.114 -6.826 -5.279 1.00 2.10 H new ATOM 0 HA THR A 18 6.239 -8.224 -2.829 1.00 4.14 H new ATOM 0 HB THR A 18 7.682 -9.319 -5.215 1.00 23.12 H new ATOM 0 HG1 THR A 18 5.570 -10.392 -5.644 1.00 63.23 H new ATOM 0 HG21 THR A 18 6.963 -11.555 -4.358 1.00 50.44 H new ATOM 0 HG22 THR A 18 8.017 -10.680 -3.221 1.00 50.44 H new ATOM 0 HG23 THR A 18 6.262 -10.749 -2.934 1.00 50.44 H new ATOM 287 N LEU A 19 8.430 -8.393 -1.784 1.00 4.12 N ATOM 288 CA LEU A 19 9.548 -8.168 -0.905 1.00 61.54 C ATOM 289 C LEU A 19 9.909 -9.493 -0.284 1.00 1.22 C ATOM 290 O LEU A 19 9.232 -10.516 -0.434 1.00 23.41 O ATOM 291 CB LEU A 19 9.198 -7.162 0.218 1.00 2.21 C ATOM 292 CG LEU A 19 9.186 -5.710 -0.271 1.00 54.40 C ATOM 293 CD1 LEU A 19 7.961 -5.475 -1.058 1.00 71.53 C ATOM 294 CD2 LEU A 19 9.265 -4.668 0.849 1.00 32.24 C ATOM 0 H LEU A 19 7.689 -8.928 -1.330 1.00 4.12 H new ATOM 0 HA LEU A 19 10.376 -7.750 -1.477 1.00 61.54 H new ATOM 0 HB2 LEU A 19 8.220 -7.410 0.631 1.00 2.21 H new ATOM 0 HB3 LEU A 19 9.920 -7.262 1.028 1.00 2.21 H new ATOM 0 HG LEU A 19 10.085 -5.584 -0.874 1.00 54.40 H new ATOM 0 HD11 LEU A 19 7.946 -4.443 -1.409 1.00 71.53 H new ATOM 0 HD12 LEU A 19 7.943 -6.150 -1.914 1.00 71.53 H new ATOM 0 HD13 LEU A 19 7.087 -5.658 -0.434 1.00 71.53 H new ATOM 0 HD21 LEU A 19 9.251 -3.667 0.417 1.00 32.24 H new ATOM 0 HD22 LEU A 19 8.412 -4.787 1.517 1.00 32.24 H new ATOM 0 HD23 LEU A 19 10.188 -4.807 1.411 1.00 32.24 H new ATOM 306 N ARG A 20 11.010 -9.406 0.435 1.00 21.14 N ATOM 307 CA ARG A 20 11.515 -10.557 1.217 1.00 45.25 C ATOM 308 C ARG A 20 11.946 -10.270 2.665 1.00 3.13 C ATOM 309 O ARG A 20 13.133 -10.314 2.993 1.00 52.42 O ATOM 310 CB ARG A 20 12.572 -11.337 0.417 1.00 41.41 C ATOM 311 CG ARG A 20 12.707 -12.742 1.027 1.00 4.40 C ATOM 312 CD ARG A 20 13.657 -13.630 0.238 1.00 13.10 C ATOM 313 NE ARG A 20 15.021 -13.094 0.229 1.00 34.41 N ATOM 314 CZ ARG A 20 16.038 -13.566 -0.493 1.00 45.24 C ATOM 315 NH1 ARG A 20 15.909 -14.652 -1.249 1.00 62.32 N ATOM 316 NH2 ARG A 20 17.184 -12.913 -0.457 1.00 42.12 N ATOM 0 H ARG A 20 11.581 -8.564 0.505 1.00 21.14 H new ATOM 0 HA ARG A 20 10.643 -11.193 1.366 1.00 45.25 H new ATOM 0 HB2 ARG A 20 12.280 -11.406 -0.631 1.00 41.41 H new ATOM 0 HB3 ARG A 20 13.530 -10.817 0.447 1.00 41.41 H new ATOM 0 HG2 ARG A 20 13.063 -12.656 2.054 1.00 4.40 H new ATOM 0 HG3 ARG A 20 11.725 -13.213 1.068 1.00 4.40 H new ATOM 0 HD2 ARG A 20 13.662 -14.631 0.670 1.00 13.10 H new ATOM 0 HD3 ARG A 20 13.298 -13.727 -0.786 1.00 13.10 H new ATOM 0 HE ARG A 20 15.209 -12.290 0.827 1.00 34.41 H new ATOM 0 HH11 ARG A 20 15.017 -15.144 -1.286 1.00 62.32 H new ATOM 0 HH12 ARG A 20 16.702 -14.993 -1.792 1.00 62.32 H new ATOM 0 HH21 ARG A 20 17.274 -12.072 0.112 1.00 42.12 H new ATOM 0 HH22 ARG A 20 17.980 -13.250 -0.999 1.00 42.12 H new ATOM 330 N TYR A 21 11.000 -9.989 3.559 1.00 4.34 N ATOM 331 CA TYR A 21 11.255 -9.748 4.974 1.00 55.23 C ATOM 332 C TYR A 21 11.870 -11.004 5.592 1.00 62.54 C ATOM 333 O TYR A 21 11.188 -12.008 5.772 1.00 0.04 O ATOM 334 CB TYR A 21 10.001 -9.283 5.734 1.00 31.30 C ATOM 335 CG TYR A 21 10.298 -8.650 7.093 1.00 24.13 C ATOM 336 CD1 TYR A 21 10.670 -9.452 8.191 1.00 32.40 C ATOM 337 CD2 TYR A 21 10.174 -7.257 7.284 1.00 63.51 C ATOM 338 CE1 TYR A 21 10.902 -8.880 9.455 1.00 41.32 C ATOM 339 CE2 TYR A 21 10.364 -6.680 8.553 1.00 63.22 C ATOM 340 CZ TYR A 21 10.735 -7.491 9.646 1.00 62.32 C ATOM 341 OH TYR A 21 11.005 -6.934 10.862 1.00 0.31 O ATOM 0 H TYR A 21 10.013 -9.921 3.312 1.00 4.34 H new ATOM 0 HA TYR A 21 11.963 -8.924 5.061 1.00 55.23 H new ATOM 0 HB2 TYR A 21 9.462 -8.562 5.119 1.00 31.30 H new ATOM 0 HB3 TYR A 21 9.339 -10.137 5.879 1.00 31.30 H new ATOM 0 HD1 TYR A 21 10.778 -10.519 8.060 1.00 32.40 H new ATOM 0 HD2 TYR A 21 9.930 -6.625 6.443 1.00 63.51 H new ATOM 0 HE1 TYR A 21 11.208 -9.505 10.281 1.00 41.32 H new ATOM 0 HE2 TYR A 21 10.226 -5.618 8.690 1.00 63.22 H new ATOM 0 HH TYR A 21 10.840 -5.969 10.824 1.00 0.31 H new ATOM 351 N GLY A 22 13.160 -10.945 5.923 1.00 74.34 N ATOM 352 CA GLY A 22 13.898 -12.058 6.499 1.00 63.31 C ATOM 353 C GLY A 22 13.876 -13.249 5.545 1.00 14.22 C ATOM 354 O GLY A 22 14.464 -13.182 4.460 1.00 35.22 O ATOM 0 H GLY A 22 13.726 -10.107 5.794 1.00 74.34 H new ATOM 0 HA2 GLY A 22 14.927 -11.759 6.697 1.00 63.31 H new ATOM 0 HA3 GLY A 22 13.459 -12.340 7.456 1.00 63.31 H new ATOM 358 N GLU A 23 13.202 -14.322 5.942 1.00 40.35 N ATOM 359 CA GLU A 23 13.095 -15.567 5.186 1.00 2.42 C ATOM 360 C GLU A 23 11.764 -15.643 4.428 1.00 74.53 C ATOM 361 O GLU A 23 11.577 -16.546 3.609 1.00 12.41 O ATOM 362 CB GLU A 23 13.206 -16.746 6.164 1.00 75.15 C ATOM 363 CG GLU A 23 14.554 -16.799 6.898 1.00 13.24 C ATOM 364 CD GLU A 23 15.619 -17.610 6.172 1.00 60.52 C ATOM 365 OE1 GLU A 23 15.981 -17.264 5.020 1.00 54.22 O ATOM 366 OE2 GLU A 23 16.103 -18.589 6.776 1.00 72.14 O ATOM 0 H GLU A 23 12.698 -14.352 6.828 1.00 40.35 H new ATOM 0 HA GLU A 23 13.899 -15.606 4.451 1.00 2.42 H new ATOM 0 HB2 GLU A 23 12.403 -16.678 6.898 1.00 75.15 H new ATOM 0 HB3 GLU A 23 13.060 -17.678 5.618 1.00 75.15 H new ATOM 0 HG2 GLU A 23 14.920 -15.782 7.040 1.00 13.24 H new ATOM 0 HG3 GLU A 23 14.400 -17.224 7.890 1.00 13.24 H new ATOM 373 N ASP A 24 10.835 -14.725 4.685 1.00 75.15 N ATOM 374 CA ASP A 24 9.446 -14.790 4.238 1.00 52.41 C ATOM 375 C ASP A 24 9.277 -13.878 3.028 1.00 34.54 C ATOM 376 O ASP A 24 10.024 -12.905 2.899 1.00 63.43 O ATOM 377 CB ASP A 24 8.548 -14.324 5.398 1.00 22.10 C ATOM 378 CG ASP A 24 7.875 -15.505 6.086 1.00 1.33 C ATOM 379 OD1 ASP A 24 6.817 -15.915 5.556 1.00 20.21 O ATOM 380 OD2 ASP A 24 8.406 -15.967 7.129 1.00 44.33 O ATOM 0 H ASP A 24 11.036 -13.886 5.229 1.00 75.15 H new ATOM 0 HA ASP A 24 9.170 -15.805 3.952 1.00 52.41 H new ATOM 0 HB2 ASP A 24 9.145 -13.770 6.123 1.00 22.10 H new ATOM 0 HB3 ASP A 24 7.789 -13.639 5.020 1.00 22.10 H new ATOM 385 N SER A 25 8.271 -14.096 2.177 1.00 75.25 N ATOM 386 CA SER A 25 8.000 -13.276 1.009 1.00 63.34 C ATOM 387 C SER A 25 6.549 -12.827 0.899 1.00 52.35 C ATOM 388 O SER A 25 5.656 -13.581 0.511 1.00 64.41 O ATOM 389 CB SER A 25 8.500 -13.952 -0.258 1.00 53.04 C ATOM 390 OG SER A 25 8.581 -15.363 -0.186 1.00 1.10 O ATOM 0 H SER A 25 7.612 -14.866 2.290 1.00 75.25 H new ATOM 0 HA SER A 25 8.565 -12.353 1.140 1.00 63.34 H new ATOM 0 HB2 SER A 25 7.840 -13.682 -1.082 1.00 53.04 H new ATOM 0 HB3 SER A 25 9.487 -13.557 -0.498 1.00 53.04 H new ATOM 0 HG SER A 25 8.908 -15.716 -1.040 1.00 1.10 H new ATOM 396 N TYR A 26 6.340 -11.552 1.209 1.00 63.14 N ATOM 397 CA TYR A 26 5.063 -10.880 1.094 1.00 13.02 C ATOM 398 C TYR A 26 5.044 -10.122 -0.219 1.00 64.24 C ATOM 399 O TYR A 26 6.016 -9.463 -0.598 1.00 12.10 O ATOM 400 CB TYR A 26 4.852 -9.928 2.273 1.00 72.32 C ATOM 401 CG TYR A 26 4.978 -10.612 3.619 1.00 55.44 C ATOM 402 CD1 TYR A 26 4.058 -11.607 3.986 1.00 11.14 C ATOM 403 CD2 TYR A 26 6.044 -10.296 4.475 1.00 4.41 C ATOM 404 CE1 TYR A 26 4.157 -12.247 5.234 1.00 62.12 C ATOM 405 CE2 TYR A 26 6.215 -11.008 5.673 1.00 12.30 C ATOM 406 CZ TYR A 26 5.240 -11.945 6.088 1.00 34.24 C ATOM 407 OH TYR A 26 5.332 -12.537 7.308 1.00 42.23 O ATOM 0 H TYR A 26 7.081 -10.944 1.557 1.00 63.14 H new ATOM 0 HA TYR A 26 4.253 -11.609 1.112 1.00 13.02 H new ATOM 0 HB2 TYR A 26 5.580 -9.119 2.214 1.00 72.32 H new ATOM 0 HB3 TYR A 26 3.864 -9.474 2.194 1.00 72.32 H new ATOM 0 HD1 TYR A 26 3.268 -11.883 3.304 1.00 11.14 H new ATOM 0 HD2 TYR A 26 6.732 -9.506 4.213 1.00 4.41 H new ATOM 0 HE1 TYR A 26 3.409 -12.965 5.537 1.00 62.12 H new ATOM 0 HE2 TYR A 26 7.093 -10.840 6.279 1.00 12.30 H new ATOM 0 HH TYR A 26 6.138 -12.219 7.766 1.00 42.23 H new ATOM 417 N ASP A 27 3.902 -10.194 -0.877 1.00 30.33 N ATOM 418 CA ASP A 27 3.585 -9.628 -2.168 1.00 65.52 C ATOM 419 C ASP A 27 2.420 -8.695 -1.890 1.00 24.12 C ATOM 420 O ASP A 27 1.341 -9.120 -1.482 1.00 24.10 O ATOM 421 CB ASP A 27 3.285 -10.740 -3.190 1.00 14.21 C ATOM 422 CG ASP A 27 2.081 -11.601 -2.822 1.00 13.01 C ATOM 423 OD1 ASP A 27 2.178 -12.347 -1.817 1.00 21.22 O ATOM 424 OD2 ASP A 27 1.051 -11.506 -3.530 1.00 1.32 O ATOM 0 H ASP A 27 3.105 -10.695 -0.484 1.00 30.33 H new ATOM 0 HA ASP A 27 4.406 -9.076 -2.625 1.00 65.52 H new ATOM 0 HB2 ASP A 27 3.112 -10.287 -4.166 1.00 14.21 H new ATOM 0 HB3 ASP A 27 4.162 -11.380 -3.286 1.00 14.21 H new ATOM 429 N LEU A 28 2.675 -7.394 -1.939 1.00 34.11 N ATOM 430 CA LEU A 28 1.669 -6.386 -1.683 1.00 10.40 C ATOM 431 C LEU A 28 1.171 -5.885 -3.036 1.00 62.21 C ATOM 432 O LEU A 28 1.981 -5.667 -3.935 1.00 71.41 O ATOM 433 CB LEU A 28 2.312 -5.230 -0.903 1.00 14.40 C ATOM 434 CG LEU A 28 3.083 -5.665 0.365 1.00 22.40 C ATOM 435 CD1 LEU A 28 4.576 -5.915 0.133 1.00 32.31 C ATOM 436 CD2 LEU A 28 2.892 -4.622 1.457 1.00 74.51 C ATOM 0 H LEU A 28 3.594 -7.011 -2.160 1.00 34.11 H new ATOM 0 HA LEU A 28 0.842 -6.790 -1.100 1.00 10.40 H new ATOM 0 HB2 LEU A 28 2.996 -4.698 -1.564 1.00 14.40 H new ATOM 0 HB3 LEU A 28 1.533 -4.524 -0.615 1.00 14.40 H new ATOM 0 HG LEU A 28 2.664 -6.624 0.668 1.00 22.40 H new ATOM 0 HD11 LEU A 28 5.044 -6.216 1.070 1.00 32.31 H new ATOM 0 HD12 LEU A 28 4.702 -6.706 -0.606 1.00 32.31 H new ATOM 0 HD13 LEU A 28 5.046 -5.001 -0.230 1.00 32.31 H new ATOM 0 HD21 LEU A 28 3.435 -4.928 2.351 1.00 74.51 H new ATOM 0 HD22 LEU A 28 3.273 -3.660 1.112 1.00 74.51 H new ATOM 0 HD23 LEU A 28 1.831 -4.530 1.691 1.00 74.51 H new ATOM 448 N PRO A 29 -0.117 -5.584 -3.204 1.00 21.33 N ATOM 449 CA PRO A 29 -0.612 -5.074 -4.475 1.00 22.22 C ATOM 450 C PRO A 29 -0.367 -3.571 -4.607 1.00 71.53 C ATOM 451 O PRO A 29 -0.107 -2.886 -3.620 1.00 5.11 O ATOM 452 CB PRO A 29 -2.097 -5.372 -4.452 1.00 34.13 C ATOM 453 CG PRO A 29 -2.452 -5.376 -2.978 1.00 53.34 C ATOM 454 CD PRO A 29 -1.205 -5.931 -2.310 1.00 4.40 C ATOM 0 HA PRO A 29 -0.105 -5.535 -5.322 1.00 22.22 H new ATOM 0 HB2 PRO A 29 -2.663 -4.616 -4.996 1.00 34.13 H new ATOM 0 HB3 PRO A 29 -2.318 -6.332 -4.918 1.00 34.13 H new ATOM 0 HG2 PRO A 29 -2.686 -4.374 -2.620 1.00 53.34 H new ATOM 0 HG3 PRO A 29 -3.324 -5.998 -2.778 1.00 53.34 H new ATOM 0 HD2 PRO A 29 -1.059 -5.495 -1.322 1.00 4.40 H new ATOM 0 HD3 PRO A 29 -1.276 -7.010 -2.175 1.00 4.40 H new ATOM 462 N ALA A 30 -0.522 -3.028 -5.813 1.00 54.10 N ATOM 463 CA ALA A 30 -0.430 -1.593 -6.039 1.00 25.14 C ATOM 464 C ALA A 30 -1.433 -0.803 -5.193 1.00 34.45 C ATOM 465 O ALA A 30 -1.060 0.242 -4.653 1.00 11.04 O ATOM 466 CB ALA A 30 -0.616 -1.328 -7.529 1.00 12.54 C ATOM 0 H ALA A 30 -0.714 -3.570 -6.655 1.00 54.10 H new ATOM 0 HA ALA A 30 0.554 -1.246 -5.723 1.00 25.14 H new ATOM 0 HB1 ALA A 30 -0.550 -0.257 -7.719 1.00 12.54 H new ATOM 0 HB2 ALA A 30 0.163 -1.845 -8.090 1.00 12.54 H new ATOM 0 HB3 ALA A 30 -1.593 -1.693 -7.844 1.00 12.54 H new ATOM 472 N GLU A 31 -2.684 -1.268 -5.057 1.00 62.22 N ATOM 473 CA GLU A 31 -3.662 -0.531 -4.265 1.00 3.22 C ATOM 474 C GLU A 31 -3.265 -0.462 -2.791 1.00 70.34 C ATOM 475 O GLU A 31 -3.556 0.544 -2.142 1.00 5.42 O ATOM 476 CB GLU A 31 -5.092 -1.074 -4.403 1.00 74.31 C ATOM 477 CG GLU A 31 -5.425 -2.472 -3.849 1.00 10.34 C ATOM 478 CD GLU A 31 -5.150 -3.629 -4.811 1.00 4.20 C ATOM 479 OE1 GLU A 31 -4.435 -3.419 -5.814 1.00 43.32 O ATOM 480 OE2 GLU A 31 -5.629 -4.751 -4.500 1.00 12.44 O ATOM 0 H GLU A 31 -3.030 -2.131 -5.477 1.00 62.22 H new ATOM 0 HA GLU A 31 -3.661 0.478 -4.676 1.00 3.22 H new ATOM 0 HB2 GLU A 31 -5.761 -0.362 -3.919 1.00 74.31 H new ATOM 0 HB3 GLU A 31 -5.341 -1.074 -5.464 1.00 74.31 H new ATOM 0 HG2 GLU A 31 -4.849 -2.632 -2.937 1.00 10.34 H new ATOM 0 HG3 GLU A 31 -6.478 -2.494 -3.569 1.00 10.34 H new ATOM 487 N PHE A 32 -2.590 -1.495 -2.259 1.00 74.42 N ATOM 488 CA PHE A 32 -2.226 -1.534 -0.849 1.00 43.20 C ATOM 489 C PHE A 32 -1.443 -0.287 -0.458 1.00 21.32 C ATOM 490 O PHE A 32 -1.788 0.379 0.517 1.00 11.15 O ATOM 491 CB PHE A 32 -1.441 -2.808 -0.523 1.00 30.15 C ATOM 492 CG PHE A 32 -0.746 -2.774 0.821 1.00 42.31 C ATOM 493 CD1 PHE A 32 0.531 -2.181 0.974 1.00 45.24 C ATOM 494 CD2 PHE A 32 -1.433 -3.272 1.946 1.00 53.22 C ATOM 495 CE1 PHE A 32 1.081 -2.105 2.263 1.00 33.24 C ATOM 496 CE2 PHE A 32 -0.876 -3.181 3.223 1.00 64.33 C ATOM 497 CZ PHE A 32 0.399 -2.621 3.379 1.00 12.41 C ATOM 0 H PHE A 32 -2.289 -2.311 -2.792 1.00 74.42 H new ATOM 0 HA PHE A 32 -3.143 -1.550 -0.260 1.00 43.20 H new ATOM 0 HB2 PHE A 32 -2.122 -3.659 -0.547 1.00 30.15 H new ATOM 0 HB3 PHE A 32 -0.697 -2.973 -1.302 1.00 30.15 H new ATOM 0 HD1 PHE A 32 1.068 -1.797 0.120 1.00 45.24 H new ATOM 0 HD2 PHE A 32 -2.403 -3.730 1.819 1.00 53.22 H new ATOM 0 HE1 PHE A 32 2.047 -1.641 2.400 1.00 33.24 H new ATOM 0 HE2 PHE A 32 -1.423 -3.539 4.083 1.00 64.33 H new ATOM 0 HZ PHE A 32 0.858 -2.586 4.356 1.00 12.41 H new ATOM 507 N LEU A 33 -0.375 0.014 -1.195 1.00 44.04 N ATOM 508 CA LEU A 33 0.539 1.072 -0.837 1.00 32.31 C ATOM 509 C LEU A 33 -0.085 2.436 -1.036 1.00 65.44 C ATOM 510 O LEU A 33 0.133 3.301 -0.201 1.00 11.14 O ATOM 511 CB LEU A 33 1.800 0.931 -1.680 1.00 50.40 C ATOM 512 CG LEU A 33 2.682 -0.260 -1.301 1.00 32.54 C ATOM 513 CD1 LEU A 33 3.206 -0.280 0.142 1.00 41.43 C ATOM 514 CD2 LEU A 33 2.382 -1.577 -2.016 1.00 23.25 C ATOM 0 H LEU A 33 -0.128 -0.475 -2.055 1.00 44.04 H new ATOM 0 HA LEU A 33 0.786 0.986 0.221 1.00 32.31 H new ATOM 0 HB2 LEU A 33 1.514 0.837 -2.728 1.00 50.40 H new ATOM 0 HB3 LEU A 33 2.387 1.845 -1.591 1.00 50.40 H new ATOM 0 HG LEU A 33 3.631 -0.049 -1.794 1.00 32.54 H new ATOM 0 HD11 LEU A 33 3.818 -1.169 0.295 1.00 41.43 H new ATOM 0 HD12 LEU A 33 3.808 0.611 0.323 1.00 41.43 H new ATOM 0 HD13 LEU A 33 2.364 -0.296 0.835 1.00 41.43 H new ATOM 0 HD21 LEU A 33 3.070 -2.346 -1.666 1.00 23.25 H new ATOM 0 HD22 LEU A 33 1.358 -1.882 -1.802 1.00 23.25 H new ATOM 0 HD23 LEU A 33 2.504 -1.443 -3.091 1.00 23.25 H new ATOM 526 N ARG A 34 -0.875 2.634 -2.088 1.00 12.01 N ATOM 527 CA ARG A 34 -1.586 3.896 -2.306 1.00 51.01 C ATOM 528 C ARG A 34 -2.508 4.229 -1.127 1.00 45.42 C ATOM 529 O ARG A 34 -2.638 5.395 -0.778 1.00 31.11 O ATOM 530 CB ARG A 34 -2.326 3.814 -3.652 1.00 10.25 C ATOM 531 CG ARG A 34 -3.330 4.943 -3.952 1.00 24.44 C ATOM 532 CD ARG A 34 -2.754 6.364 -4.003 1.00 71.33 C ATOM 533 NE ARG A 34 -3.110 7.159 -2.822 1.00 41.41 N ATOM 534 CZ ARG A 34 -4.105 8.037 -2.649 1.00 21.22 C ATOM 535 NH1 ARG A 34 -4.952 8.339 -3.632 1.00 23.51 N ATOM 536 NH2 ARG A 34 -4.249 8.586 -1.452 1.00 5.34 N ATOM 0 H ARG A 34 -1.041 1.932 -2.809 1.00 12.01 H new ATOM 0 HA ARG A 34 -0.878 4.723 -2.357 1.00 51.01 H new ATOM 0 HB2 ARG A 34 -1.583 3.797 -4.450 1.00 10.25 H new ATOM 0 HB3 ARG A 34 -2.859 2.864 -3.692 1.00 10.25 H new ATOM 0 HG2 ARG A 34 -3.807 4.732 -4.909 1.00 24.44 H new ATOM 0 HG3 ARG A 34 -4.112 4.917 -3.193 1.00 24.44 H new ATOM 0 HD2 ARG A 34 -1.669 6.309 -4.086 1.00 71.33 H new ATOM 0 HD3 ARG A 34 -3.117 6.868 -4.899 1.00 71.33 H new ATOM 0 HE ARG A 34 -2.508 7.022 -2.010 1.00 41.41 H new ATOM 0 HH11 ARG A 34 -4.851 7.897 -4.546 1.00 23.51 H new ATOM 0 HH12 ARG A 34 -5.701 9.012 -3.471 1.00 23.51 H new ATOM 0 HH21 ARG A 34 -3.612 8.336 -0.696 1.00 5.34 H new ATOM 0 HH22 ARG A 34 -4.997 9.259 -1.286 1.00 5.34 H new ATOM 550 N VAL A 35 -3.137 3.256 -0.473 1.00 11.15 N ATOM 551 CA VAL A 35 -3.958 3.552 0.715 1.00 54.13 C ATOM 552 C VAL A 35 -3.089 3.647 1.994 1.00 44.40 C ATOM 553 O VAL A 35 -3.568 4.105 3.032 1.00 24.11 O ATOM 554 CB VAL A 35 -5.165 2.591 0.784 1.00 72.13 C ATOM 555 CG1 VAL A 35 -6.000 2.654 -0.511 1.00 50.12 C ATOM 556 CG2 VAL A 35 -4.806 1.134 1.068 1.00 4.45 C ATOM 0 H VAL A 35 -3.101 2.270 -0.733 1.00 11.15 H new ATOM 0 HA VAL A 35 -4.397 4.546 0.631 1.00 54.13 H new ATOM 0 HB VAL A 35 -5.745 2.946 1.636 1.00 72.13 H new ATOM 0 HG11 VAL A 35 -6.843 1.967 -0.434 1.00 50.12 H new ATOM 0 HG12 VAL A 35 -6.371 3.669 -0.656 1.00 50.12 H new ATOM 0 HG13 VAL A 35 -5.377 2.371 -1.360 1.00 50.12 H new ATOM 0 HG21 VAL A 35 -5.716 0.534 1.098 1.00 4.45 H new ATOM 0 HG22 VAL A 35 -4.151 0.761 0.281 1.00 4.45 H new ATOM 0 HG23 VAL A 35 -4.294 1.066 2.028 1.00 4.45 H new ATOM 566 N HIS A 36 -1.798 3.286 1.947 1.00 10.11 N ATOM 567 CA HIS A 36 -0.852 3.320 3.064 1.00 22.45 C ATOM 568 C HIS A 36 0.402 4.150 2.737 1.00 61.22 C ATOM 569 O HIS A 36 1.500 3.814 3.159 1.00 1.22 O ATOM 570 CB HIS A 36 -0.531 1.881 3.551 1.00 63.12 C ATOM 571 CG HIS A 36 -1.392 1.431 4.704 1.00 44.11 C ATOM 572 ND1 HIS A 36 -1.661 2.154 5.852 1.00 74.11 N ATOM 573 CD2 HIS A 36 -1.951 0.191 4.855 1.00 52.22 C ATOM 574 CE1 HIS A 36 -2.410 1.379 6.653 1.00 31.45 C ATOM 575 NE2 HIS A 36 -2.621 0.186 6.076 1.00 43.20 N ATOM 0 H HIS A 36 -1.368 2.947 1.086 1.00 10.11 H new ATOM 0 HA HIS A 36 -1.325 3.838 3.898 1.00 22.45 H new ATOM 0 HB2 HIS A 36 -0.659 1.188 2.720 1.00 63.12 H new ATOM 0 HB3 HIS A 36 0.516 1.832 3.849 1.00 63.12 H new ATOM 0 HD1 HIS A 36 -1.347 3.103 6.054 1.00 74.11 H new ATOM 0 HD2 HIS A 36 -1.885 -0.631 4.157 1.00 52.22 H new ATOM 0 HE1 HIS A 36 -2.788 1.673 7.621 1.00 31.45 H new ATOM 583 N SER A 37 0.237 5.266 1.992 1.00 25.15 N ATOM 584 CA SER A 37 1.331 6.115 1.547 1.00 33.54 C ATOM 585 C SER A 37 1.365 7.441 2.344 1.00 1.23 C ATOM 586 O SER A 37 0.779 8.428 1.920 1.00 23.53 O ATOM 587 CB SER A 37 1.171 6.350 0.040 1.00 42.41 C ATOM 588 OG SER A 37 -0.161 6.648 -0.328 1.00 72.10 O ATOM 0 H SER A 37 -0.679 5.595 1.686 1.00 25.15 H new ATOM 0 HA SER A 37 2.287 5.626 1.732 1.00 33.54 H new ATOM 0 HB2 SER A 37 1.820 7.170 -0.266 1.00 42.41 H new ATOM 0 HB3 SER A 37 1.503 5.463 -0.499 1.00 42.41 H new ATOM 0 HG SER A 37 -0.718 5.850 -0.214 1.00 72.10 H new ATOM 594 N PRO A 38 2.029 7.478 3.524 1.00 41.24 N ATOM 595 CA PRO A 38 2.127 8.676 4.338 1.00 64.23 C ATOM 596 C PRO A 38 3.065 9.653 3.634 1.00 5.23 C ATOM 597 O PRO A 38 4.246 9.357 3.426 1.00 24.35 O ATOM 598 CB PRO A 38 2.672 8.200 5.686 1.00 2.44 C ATOM 599 CG PRO A 38 3.552 7.013 5.317 1.00 30.25 C ATOM 600 CD PRO A 38 2.835 6.426 4.100 1.00 61.10 C ATOM 0 HA PRO A 38 1.181 9.196 4.486 1.00 64.23 H new ATOM 0 HB2 PRO A 38 3.243 8.982 6.186 1.00 2.44 H new ATOM 0 HB3 PRO A 38 1.869 7.909 6.363 1.00 2.44 H new ATOM 0 HG2 PRO A 38 4.569 7.323 5.077 1.00 30.25 H new ATOM 0 HG3 PRO A 38 3.622 6.292 6.132 1.00 30.25 H new ATOM 0 HD2 PRO A 38 3.556 6.053 3.373 1.00 61.10 H new ATOM 0 HD3 PRO A 38 2.211 5.581 4.392 1.00 61.10 H new ATOM 608 N SER A 39 2.540 10.790 3.196 1.00 43.01 N ATOM 609 CA SER A 39 3.312 11.875 2.629 1.00 22.43 C ATOM 610 C SER A 39 4.234 12.476 3.710 1.00 63.44 C ATOM 611 O SER A 39 4.091 12.199 4.908 1.00 43.13 O ATOM 612 CB SER A 39 2.329 12.883 1.993 1.00 70.34 C ATOM 613 OG SER A 39 1.006 12.740 2.490 1.00 65.44 O ATOM 0 H SER A 39 1.539 10.983 3.229 1.00 43.01 H new ATOM 0 HA SER A 39 3.978 11.535 1.836 1.00 22.43 H new ATOM 0 HB2 SER A 39 2.678 13.897 2.186 1.00 70.34 H new ATOM 0 HB3 SER A 39 2.324 12.748 0.911 1.00 70.34 H new ATOM 0 HG SER A 39 1.019 12.774 3.469 1.00 65.44 H new ATOM 736 N VAL A 49 -8.440 9.105 7.316 1.00 45.12 N ATOM 737 CA VAL A 49 -9.481 9.088 6.304 1.00 41.14 C ATOM 738 C VAL A 49 -9.339 7.781 5.542 1.00 54.33 C ATOM 739 O VAL A 49 -8.233 7.381 5.163 1.00 10.14 O ATOM 740 CB VAL A 49 -9.362 10.299 5.358 1.00 2.35 C ATOM 741 CG1 VAL A 49 -10.498 10.286 4.329 1.00 25.53 C ATOM 742 CG2 VAL A 49 -9.376 11.650 6.090 1.00 62.10 C ATOM 0 HA VAL A 49 -10.465 9.158 6.768 1.00 41.14 H new ATOM 0 HB VAL A 49 -8.394 10.199 4.868 1.00 2.35 H new ATOM 0 HG11 VAL A 49 -10.400 11.147 3.668 1.00 25.53 H new ATOM 0 HG12 VAL A 49 -10.446 9.370 3.741 1.00 25.53 H new ATOM 0 HG13 VAL A 49 -11.457 10.332 4.845 1.00 25.53 H new ATOM 0 HG21 VAL A 49 -9.289 12.458 5.364 1.00 62.10 H new ATOM 0 HG22 VAL A 49 -10.311 11.756 6.640 1.00 62.10 H new ATOM 0 HG23 VAL A 49 -8.538 11.695 6.786 1.00 62.10 H new ATOM 752 N LEU A 50 -10.464 7.121 5.313 1.00 50.13 N ATOM 753 CA LEU A 50 -10.563 5.903 4.536 1.00 64.23 C ATOM 754 C LEU A 50 -10.396 6.199 3.054 1.00 50.43 C ATOM 755 O LEU A 50 -11.219 6.875 2.440 1.00 50.30 O ATOM 756 CB LEU A 50 -11.932 5.269 4.815 1.00 5.05 C ATOM 757 CG LEU A 50 -12.208 4.018 3.972 1.00 32.44 C ATOM 758 CD1 LEU A 50 -11.169 2.923 4.238 1.00 25.45 C ATOM 759 CD2 LEU A 50 -13.633 3.543 4.239 1.00 42.32 C ATOM 0 H LEU A 50 -11.364 7.433 5.678 1.00 50.13 H new ATOM 0 HA LEU A 50 -9.770 5.212 4.821 1.00 64.23 H new ATOM 0 HB2 LEU A 50 -11.994 5.007 5.871 1.00 5.05 H new ATOM 0 HB3 LEU A 50 -12.711 6.006 4.623 1.00 5.05 H new ATOM 0 HG LEU A 50 -12.118 4.265 2.914 1.00 32.44 H new ATOM 0 HD11 LEU A 50 -11.394 2.051 3.624 1.00 25.45 H new ATOM 0 HD12 LEU A 50 -10.176 3.296 3.988 1.00 25.45 H new ATOM 0 HD13 LEU A 50 -11.197 2.643 5.291 1.00 25.45 H new ATOM 0 HD21 LEU A 50 -13.838 2.653 3.643 1.00 42.32 H new ATOM 0 HD22 LEU A 50 -13.745 3.305 5.297 1.00 42.32 H new ATOM 0 HD23 LEU A 50 -14.336 4.331 3.968 1.00 42.32 H new ATOM 771 N GLN A 51 -9.327 5.668 2.473 1.00 62.51 N ATOM 772 CA GLN A 51 -8.990 5.831 1.079 1.00 62.43 C ATOM 773 C GLN A 51 -9.642 4.678 0.311 1.00 73.11 C ATOM 774 O GLN A 51 -9.339 3.504 0.562 1.00 45.43 O ATOM 775 CB GLN A 51 -7.460 5.862 1.019 1.00 74.11 C ATOM 776 CG GLN A 51 -6.911 7.098 1.762 1.00 74.32 C ATOM 777 CD GLN A 51 -7.029 8.388 0.950 1.00 23.33 C ATOM 778 OE1 GLN A 51 -6.941 8.391 -0.272 1.00 50.31 O ATOM 779 NE2 GLN A 51 -7.241 9.518 1.604 1.00 51.44 N ATOM 0 H GLN A 51 -8.654 5.095 2.982 1.00 62.51 H new ATOM 0 HA GLN A 51 -9.358 6.748 0.618 1.00 62.43 H new ATOM 0 HB2 GLN A 51 -7.055 4.954 1.465 1.00 74.11 H new ATOM 0 HB3 GLN A 51 -7.132 5.881 -0.020 1.00 74.11 H new ATOM 0 HG2 GLN A 51 -7.449 7.217 2.703 1.00 74.32 H new ATOM 0 HG3 GLN A 51 -5.864 6.928 2.013 1.00 74.32 H new ATOM 0 HE21 GLN A 51 -7.314 9.512 2.621 1.00 51.44 H new ATOM 0 HE22 GLN A 51 -7.332 10.395 1.091 1.00 51.44 H new ATOM 788 N TYR A 52 -10.598 4.997 -0.565 1.00 24.45 N ATOM 789 CA TYR A 52 -11.378 4.042 -1.339 1.00 62.52 C ATOM 790 C TYR A 52 -11.091 4.196 -2.834 1.00 32.23 C ATOM 791 O TYR A 52 -10.019 4.679 -3.189 1.00 33.45 O ATOM 792 CB TYR A 52 -12.854 4.059 -0.917 1.00 32.22 C ATOM 793 CG TYR A 52 -13.630 5.332 -1.170 1.00 11.12 C ATOM 794 CD1 TYR A 52 -13.656 6.343 -0.190 1.00 73.13 C ATOM 795 CD2 TYR A 52 -14.365 5.491 -2.360 1.00 73.24 C ATOM 796 CE1 TYR A 52 -14.396 7.515 -0.414 1.00 65.40 C ATOM 797 CE2 TYR A 52 -15.107 6.660 -2.585 1.00 5.05 C ATOM 798 CZ TYR A 52 -15.124 7.682 -1.611 1.00 74.14 C ATOM 799 OH TYR A 52 -15.915 8.779 -1.778 1.00 54.23 O ATOM 0 H TYR A 52 -10.856 5.965 -0.758 1.00 24.45 H new ATOM 0 HA TYR A 52 -11.062 3.024 -1.113 1.00 62.52 H new ATOM 0 HB2 TYR A 52 -13.363 3.245 -1.434 1.00 32.22 H new ATOM 0 HB3 TYR A 52 -12.903 3.840 0.150 1.00 32.22 H new ATOM 0 HD1 TYR A 52 -13.108 6.217 0.732 1.00 73.13 H new ATOM 0 HD2 TYR A 52 -14.358 4.708 -3.104 1.00 73.24 H new ATOM 0 HE1 TYR A 52 -14.408 8.293 0.335 1.00 65.40 H new ATOM 0 HE2 TYR A 52 -15.665 6.778 -3.502 1.00 5.05 H new ATOM 0 HH TYR A 52 -16.345 8.741 -2.658 1.00 54.23 H new ATOM 809 N GLY A 53 -11.933 3.621 -3.700 1.00 71.12 N ATOM 810 CA GLY A 53 -11.798 3.691 -5.156 1.00 31.23 C ATOM 811 C GLY A 53 -10.402 3.255 -5.612 1.00 45.12 C ATOM 812 O GLY A 53 -9.557 4.101 -5.911 1.00 71.42 O ATOM 0 H GLY A 53 -12.745 3.082 -3.399 1.00 71.12 H new ATOM 0 HA2 GLY A 53 -12.550 3.055 -5.623 1.00 31.23 H new ATOM 0 HA3 GLY A 53 -11.990 4.710 -5.492 1.00 31.23 H new ATOM 816 N LYS A 54 -10.121 1.948 -5.563 1.00 70.53 N ATOM 817 CA LYS A 54 -8.802 1.359 -5.829 1.00 50.33 C ATOM 818 C LYS A 54 -8.843 0.019 -6.557 1.00 65.13 C ATOM 819 O LYS A 54 -7.791 -0.594 -6.724 1.00 44.45 O ATOM 820 CB LYS A 54 -7.877 1.322 -4.603 1.00 52.02 C ATOM 821 CG LYS A 54 -8.251 0.458 -3.400 1.00 52.30 C ATOM 822 CD LYS A 54 -9.491 1.037 -2.738 1.00 74.52 C ATOM 823 CE LYS A 54 -9.491 0.948 -1.205 1.00 72.44 C ATOM 824 NZ LYS A 54 -9.107 -0.378 -0.680 1.00 54.15 N ATOM 0 H LYS A 54 -10.826 1.249 -5.330 1.00 70.53 H new ATOM 0 HA LYS A 54 -8.351 2.060 -6.531 1.00 50.33 H new ATOM 0 HB2 LYS A 54 -6.895 0.996 -4.946 1.00 52.02 H new ATOM 0 HB3 LYS A 54 -7.767 2.346 -4.247 1.00 52.02 H new ATOM 0 HG2 LYS A 54 -8.438 -0.568 -3.718 1.00 52.30 H new ATOM 0 HG3 LYS A 54 -7.425 0.426 -2.689 1.00 52.30 H new ATOM 0 HD2 LYS A 54 -9.589 2.083 -3.029 1.00 74.52 H new ATOM 0 HD3 LYS A 54 -10.369 0.516 -3.120 1.00 74.52 H new ATOM 0 HE2 LYS A 54 -8.806 1.697 -0.808 1.00 72.44 H new ATOM 0 HE3 LYS A 54 -10.486 1.199 -0.837 1.00 72.44 H new ATOM 0 HZ1 LYS A 54 -9.517 -0.508 0.267 1.00 54.15 H new ATOM 0 HZ2 LYS A 54 -9.463 -1.120 -1.316 1.00 54.15 H new ATOM 0 HZ3 LYS A 54 -8.071 -0.441 -0.620 1.00 54.15 H new ATOM 838 N LEU A 55 -10.017 -0.471 -6.960 1.00 25.24 N ATOM 839 CA LEU A 55 -10.136 -1.811 -7.534 1.00 64.32 C ATOM 840 C LEU A 55 -9.411 -1.953 -8.879 1.00 62.11 C ATOM 841 O LEU A 55 -9.156 -3.072 -9.317 1.00 71.11 O ATOM 842 CB LEU A 55 -11.626 -2.157 -7.694 1.00 5.44 C ATOM 843 CG LEU A 55 -11.942 -3.659 -7.822 1.00 12.53 C ATOM 844 CD1 LEU A 55 -11.564 -4.486 -6.577 1.00 63.35 C ATOM 845 CD2 LEU A 55 -13.460 -3.791 -7.994 1.00 22.12 C ATOM 0 H LEU A 55 -10.898 0.040 -6.899 1.00 25.24 H new ATOM 0 HA LEU A 55 -9.653 -2.508 -6.849 1.00 64.32 H new ATOM 0 HB2 LEU A 55 -12.169 -1.760 -6.836 1.00 5.44 H new ATOM 0 HB3 LEU A 55 -12.008 -1.645 -8.577 1.00 5.44 H new ATOM 0 HG LEU A 55 -11.360 -4.039 -8.662 1.00 12.53 H new ATOM 0 HD11 LEU A 55 -11.817 -5.533 -6.745 1.00 63.35 H new ATOM 0 HD12 LEU A 55 -10.493 -4.397 -6.392 1.00 63.35 H new ATOM 0 HD13 LEU A 55 -12.114 -4.114 -5.712 1.00 63.35 H new ATOM 0 HD21 LEU A 55 -13.725 -4.844 -8.088 1.00 22.12 H new ATOM 0 HD22 LEU A 55 -13.963 -3.367 -7.125 1.00 22.12 H new ATOM 0 HD23 LEU A 55 -13.772 -3.256 -8.891 1.00 22.12 H new ATOM 857 N ASN A 56 -9.096 -0.837 -9.543 1.00 64.15 N ATOM 858 CA ASN A 56 -8.677 -0.833 -10.943 1.00 13.24 C ATOM 859 C ASN A 56 -7.201 -0.485 -11.107 1.00 34.02 C ATOM 860 O ASN A 56 -6.676 -0.673 -12.209 1.00 14.41 O ATOM 861 CB ASN A 56 -9.581 0.117 -11.744 1.00 64.45 C ATOM 862 CG ASN A 56 -11.014 -0.369 -11.668 1.00 2.23 C ATOM 863 OD1 ASN A 56 -11.333 -1.409 -12.222 1.00 25.02 O ATOM 864 ND2 ASN A 56 -11.880 0.289 -10.921 1.00 23.40 N ATOM 0 H ASN A 56 -9.125 0.091 -9.121 1.00 64.15 H new ATOM 0 HA ASN A 56 -8.788 -1.843 -11.337 1.00 13.24 H new ATOM 0 HB2 ASN A 56 -9.507 1.129 -11.346 1.00 64.45 H new ATOM 0 HB3 ASN A 56 -9.254 0.158 -12.783 1.00 64.45 H new ATOM 0 HD21 ASN A 56 -12.827 -0.070 -10.802 1.00 23.40 H new ATOM 0 HD22 ASN A 56 -11.602 1.157 -10.463 1.00 23.40 H new ATOM 871 N VAL A 57 -6.536 -0.049 -10.026 1.00 63.03 N ATOM 872 CA VAL A 57 -5.144 0.400 -9.998 1.00 42.31 C ATOM 873 C VAL A 57 -4.204 -0.603 -10.672 1.00 70.10 C ATOM 874 O VAL A 57 -4.450 -1.816 -10.640 1.00 43.52 O ATOM 875 CB VAL A 57 -4.730 0.616 -8.519 1.00 21.01 C ATOM 876 CG1 VAL A 57 -3.214 0.798 -8.327 1.00 61.04 C ATOM 877 CG2 VAL A 57 -5.408 1.825 -7.888 1.00 74.11 C ATOM 0 H VAL A 57 -6.978 0.001 -9.108 1.00 63.03 H new ATOM 0 HA VAL A 57 -5.064 1.332 -10.558 1.00 42.31 H new ATOM 0 HB VAL A 57 -5.054 -0.301 -8.027 1.00 21.01 H new ATOM 0 HG11 VAL A 57 -2.996 0.944 -7.269 1.00 61.04 H new ATOM 0 HG12 VAL A 57 -2.693 -0.090 -8.685 1.00 61.04 H new ATOM 0 HG13 VAL A 57 -2.878 1.668 -8.890 1.00 61.04 H new ATOM 0 HG21 VAL A 57 -5.081 1.927 -6.853 1.00 74.11 H new ATOM 0 HG22 VAL A 57 -5.140 2.724 -8.444 1.00 74.11 H new ATOM 0 HG23 VAL A 57 -6.489 1.691 -7.915 1.00 74.11 H new ATOM 887 N GLY A 58 -3.043 -0.117 -11.135 1.00 12.31 N ATOM 888 CA GLY A 58 -1.977 -1.011 -11.519 1.00 13.13 C ATOM 889 C GLY A 58 -0.572 -0.448 -11.622 1.00 10.33 C ATOM 890 O GLY A 58 0.238 -0.984 -12.380 1.00 70.42 O ATOM 0 H GLY A 58 -2.834 0.875 -11.246 1.00 12.31 H new ATOM 0 HA2 GLY A 58 -1.955 -1.831 -10.801 1.00 13.13 H new ATOM 0 HA3 GLY A 58 -2.235 -1.441 -12.487 1.00 13.13 H new ATOM 894 N LEU A 59 -0.261 0.543 -10.793 1.00 5.35 N ATOM 895 CA LEU A 59 1.040 1.136 -10.632 1.00 52.23 C ATOM 896 C LEU A 59 1.635 1.658 -11.931 1.00 61.14 C ATOM 897 O LEU A 59 1.065 1.517 -13.009 1.00 1.52 O ATOM 898 CB LEU A 59 1.905 0.073 -9.976 1.00 54.33 C ATOM 899 CG LEU A 59 2.886 0.661 -8.973 1.00 4.55 C ATOM 900 CD1 LEU A 59 2.518 0.210 -7.585 1.00 31.25 C ATOM 901 CD2 LEU A 59 4.336 0.375 -9.301 1.00 22.44 C ATOM 0 H LEU A 59 -0.959 0.971 -10.185 1.00 5.35 H new ATOM 0 HA LEU A 59 0.975 2.029 -10.011 1.00 52.23 H new ATOM 0 HB2 LEU A 59 1.266 -0.652 -9.472 1.00 54.33 H new ATOM 0 HB3 LEU A 59 2.456 -0.468 -10.745 1.00 54.33 H new ATOM 0 HG LEU A 59 2.801 1.746 -9.030 1.00 4.55 H new ATOM 0 HD11 LEU A 59 3.221 0.632 -6.867 1.00 31.25 H new ATOM 0 HD12 LEU A 59 1.510 0.549 -7.348 1.00 31.25 H new ATOM 0 HD13 LEU A 59 2.556 -0.878 -7.534 1.00 31.25 H new ATOM 0 HD21 LEU A 59 4.976 0.825 -8.542 1.00 22.44 H new ATOM 0 HD22 LEU A 59 4.499 -0.703 -9.320 1.00 22.44 H new ATOM 0 HD23 LEU A 59 4.578 0.796 -10.277 1.00 22.44 H new ATOM 913 N VAL A 60 2.786 2.289 -11.805 1.00 11.53 N ATOM 914 CA VAL A 60 3.461 2.906 -12.927 1.00 54.44 C ATOM 915 C VAL A 60 4.958 2.834 -12.728 1.00 34.31 C ATOM 916 O VAL A 60 5.652 2.629 -13.720 1.00 41.33 O ATOM 917 CB VAL A 60 2.965 4.351 -13.126 1.00 62.44 C ATOM 918 CG1 VAL A 60 1.702 4.395 -13.987 1.00 53.32 C ATOM 919 CG2 VAL A 60 2.642 5.072 -11.815 1.00 72.14 C ATOM 0 H VAL A 60 3.280 2.388 -10.918 1.00 11.53 H new ATOM 0 HA VAL A 60 3.224 2.361 -13.841 1.00 54.44 H new ATOM 0 HB VAL A 60 3.795 4.860 -13.617 1.00 62.44 H new ATOM 0 HG11 VAL A 60 1.379 5.429 -14.107 1.00 53.32 H new ATOM 0 HG12 VAL A 60 1.914 3.965 -14.966 1.00 53.32 H new ATOM 0 HG13 VAL A 60 0.911 3.822 -13.502 1.00 53.32 H new ATOM 0 HG21 VAL A 60 2.299 6.084 -12.031 1.00 72.14 H new ATOM 0 HG22 VAL A 60 1.860 4.529 -11.284 1.00 72.14 H new ATOM 0 HG23 VAL A 60 3.537 5.117 -11.195 1.00 72.14 H new ATOM 929 N GLY A 61 5.436 2.948 -11.486 1.00 73.00 N ATOM 930 CA GLY A 61 6.860 2.928 -11.197 1.00 62.30 C ATOM 931 C GLY A 61 7.201 2.958 -9.718 1.00 11.31 C ATOM 932 O GLY A 61 6.319 3.067 -8.865 1.00 53.50 O ATOM 0 H GLY A 61 4.845 3.056 -10.661 1.00 73.00 H new ATOM 0 HA2 GLY A 61 7.295 2.032 -11.640 1.00 62.30 H new ATOM 0 HA3 GLY A 61 7.329 3.784 -11.683 1.00 62.30 H new ATOM 936 N VAL A 62 8.487 2.789 -9.423 1.00 52.50 N ATOM 937 CA VAL A 62 9.080 2.828 -8.105 1.00 21.12 C ATOM 938 C VAL A 62 10.584 2.982 -8.281 1.00 30.11 C ATOM 939 O VAL A 62 11.222 2.174 -8.954 1.00 14.12 O ATOM 940 CB VAL A 62 8.636 1.608 -7.279 1.00 34.14 C ATOM 941 CG1 VAL A 62 9.100 0.234 -7.775 1.00 1.22 C ATOM 942 CG2 VAL A 62 8.870 1.720 -5.776 1.00 43.42 C ATOM 0 H VAL A 62 9.180 2.610 -10.150 1.00 52.50 H new ATOM 0 HA VAL A 62 8.736 3.682 -7.522 1.00 21.12 H new ATOM 0 HB VAL A 62 7.562 1.652 -7.459 1.00 34.14 H new ATOM 0 HG11 VAL A 62 8.722 -0.540 -7.108 1.00 1.22 H new ATOM 0 HG12 VAL A 62 8.719 0.063 -8.782 1.00 1.22 H new ATOM 0 HG13 VAL A 62 10.189 0.201 -7.788 1.00 1.22 H new ATOM 0 HG21 VAL A 62 8.524 0.811 -5.285 1.00 43.42 H new ATOM 0 HG22 VAL A 62 9.934 1.854 -5.582 1.00 43.42 H new ATOM 0 HG23 VAL A 62 8.319 2.576 -5.385 1.00 43.42 H new ATOM 952 N GLU A 63 11.156 4.019 -7.683 1.00 52.43 N ATOM 953 CA GLU A 63 12.601 4.308 -7.723 1.00 62.31 C ATOM 954 C GLU A 63 13.068 4.883 -6.383 1.00 53.04 C ATOM 955 O GLU A 63 12.304 5.604 -5.747 1.00 25.43 O ATOM 956 CB GLU A 63 12.955 5.313 -8.831 1.00 71.12 C ATOM 957 CG GLU A 63 12.701 4.779 -10.242 1.00 11.55 C ATOM 958 CD GLU A 63 13.438 5.609 -11.296 1.00 22.31 C ATOM 959 OE1 GLU A 63 13.324 6.856 -11.261 1.00 42.30 O ATOM 960 OE2 GLU A 63 14.179 5.016 -12.115 1.00 50.12 O ATOM 0 H GLU A 63 10.625 4.703 -7.143 1.00 52.43 H new ATOM 0 HA GLU A 63 13.105 3.364 -7.929 1.00 62.31 H new ATOM 0 HB2 GLU A 63 12.373 6.223 -8.685 1.00 71.12 H new ATOM 0 HB3 GLU A 63 14.006 5.589 -8.739 1.00 71.12 H new ATOM 0 HG2 GLU A 63 13.025 3.740 -10.303 1.00 11.55 H new ATOM 0 HG3 GLU A 63 11.631 4.792 -10.450 1.00 11.55 H new ATOM 967 N PRO A 64 14.291 4.579 -5.919 1.00 25.52 N ATOM 968 CA PRO A 64 14.735 4.880 -4.559 1.00 2.43 C ATOM 969 C PRO A 64 14.842 6.389 -4.323 1.00 45.42 C ATOM 970 O PRO A 64 15.088 7.158 -5.255 1.00 53.12 O ATOM 971 CB PRO A 64 16.075 4.164 -4.400 1.00 63.51 C ATOM 972 CG PRO A 64 16.608 4.105 -5.828 1.00 71.20 C ATOM 973 CD PRO A 64 15.358 3.970 -6.692 1.00 71.43 C ATOM 0 HA PRO A 64 14.020 4.534 -3.812 1.00 2.43 H new ATOM 0 HB2 PRO A 64 16.749 4.711 -3.741 1.00 63.51 H new ATOM 0 HB3 PRO A 64 15.952 3.168 -3.974 1.00 63.51 H new ATOM 0 HG2 PRO A 64 17.170 5.004 -6.080 1.00 71.20 H new ATOM 0 HG3 PRO A 64 17.281 3.259 -5.967 1.00 71.20 H new ATOM 0 HD2 PRO A 64 15.486 4.473 -7.650 1.00 71.43 H new ATOM 0 HD3 PRO A 64 15.140 2.924 -6.908 1.00 71.43 H new ATOM 981 N ALA A 65 14.700 6.808 -3.064 1.00 5.22 N ATOM 982 CA ALA A 65 14.754 8.202 -2.655 1.00 25.53 C ATOM 983 C ALA A 65 15.897 8.352 -1.653 1.00 30.45 C ATOM 984 O ALA A 65 15.821 7.918 -0.496 1.00 34.24 O ATOM 985 CB ALA A 65 13.399 8.656 -2.118 1.00 23.21 C ATOM 0 H ALA A 65 14.541 6.168 -2.286 1.00 5.22 H new ATOM 0 HA ALA A 65 14.959 8.858 -3.501 1.00 25.53 H new ATOM 0 HB1 ALA A 65 13.459 9.702 -1.817 1.00 23.21 H new ATOM 0 HB2 ALA A 65 12.644 8.545 -2.896 1.00 23.21 H new ATOM 0 HB3 ALA A 65 13.126 8.046 -1.257 1.00 23.21 H new ATOM 991 N GLY A 66 17.002 8.902 -2.146 1.00 51.04 N ATOM 992 CA GLY A 66 18.286 8.923 -1.483 1.00 13.23 C ATOM 993 C GLY A 66 18.721 7.496 -1.218 1.00 11.24 C ATOM 994 O GLY A 66 18.967 6.738 -2.158 1.00 61.43 O ATOM 0 H GLY A 66 17.020 9.362 -3.056 1.00 51.04 H new ATOM 0 HA2 GLY A 66 19.023 9.433 -2.103 1.00 13.23 H new ATOM 0 HA3 GLY A 66 18.219 9.477 -0.547 1.00 13.23 H new ATOM 998 N GLN A 67 18.807 7.138 0.059 1.00 22.51 N ATOM 999 CA GLN A 67 19.264 5.828 0.520 1.00 22.21 C ATOM 1000 C GLN A 67 18.438 5.321 1.698 1.00 50.20 C ATOM 1001 O GLN A 67 18.819 4.395 2.414 1.00 71.52 O ATOM 1002 CB GLN A 67 20.763 5.913 0.752 1.00 53.13 C ATOM 1003 CG GLN A 67 21.212 6.608 2.017 1.00 10.45 C ATOM 1004 CD GLN A 67 22.733 6.701 2.145 1.00 54.22 C ATOM 1005 OE1 GLN A 67 23.312 6.184 3.102 1.00 12.11 O ATOM 1006 NE2 GLN A 67 23.405 7.376 1.223 1.00 32.51 N ATOM 0 H GLN A 67 18.555 7.765 0.823 1.00 22.51 H new ATOM 0 HA GLN A 67 19.100 5.060 -0.236 1.00 22.21 H new ATOM 0 HB2 GLN A 67 21.165 4.900 0.758 1.00 53.13 H new ATOM 0 HB3 GLN A 67 21.211 6.428 -0.098 1.00 53.13 H new ATOM 0 HG2 GLN A 67 20.790 7.613 2.042 1.00 10.45 H new ATOM 0 HG3 GLN A 67 20.813 6.073 2.879 1.00 10.45 H new ATOM 0 HE21 GLN A 67 22.910 7.798 0.437 1.00 32.51 H new ATOM 0 HE22 GLN A 67 24.417 7.474 1.299 1.00 32.51 H new ATOM 1015 N TYR A 68 17.317 5.992 1.922 1.00 11.04 N ATOM 1016 CA TYR A 68 16.538 5.930 3.155 1.00 21.21 C ATOM 1017 C TYR A 68 15.048 5.817 2.861 1.00 74.42 C ATOM 1018 O TYR A 68 14.357 5.073 3.557 1.00 54.43 O ATOM 1019 CB TYR A 68 16.853 7.149 4.042 1.00 50.40 C ATOM 1020 CG TYR A 68 17.239 8.408 3.283 1.00 21.42 C ATOM 1021 CD1 TYR A 68 16.254 9.240 2.728 1.00 52.00 C ATOM 1022 CD2 TYR A 68 18.597 8.680 3.043 1.00 52.21 C ATOM 1023 CE1 TYR A 68 16.630 10.352 1.952 1.00 22.44 C ATOM 1024 CE2 TYR A 68 18.983 9.754 2.221 1.00 71.30 C ATOM 1025 CZ TYR A 68 17.994 10.628 1.710 1.00 30.12 C ATOM 1026 OH TYR A 68 18.325 11.698 0.936 1.00 22.45 O ATOM 0 H TYR A 68 16.909 6.617 1.227 1.00 11.04 H new ATOM 0 HA TYR A 68 16.822 5.031 3.702 1.00 21.21 H new ATOM 0 HB2 TYR A 68 15.981 7.367 4.659 1.00 50.40 H new ATOM 0 HB3 TYR A 68 17.665 6.887 4.720 1.00 50.40 H new ATOM 0 HD1 TYR A 68 15.209 9.027 2.896 1.00 52.00 H new ATOM 0 HD2 TYR A 68 19.354 8.056 3.496 1.00 52.21 H new ATOM 0 HE1 TYR A 68 15.870 10.999 1.539 1.00 22.44 H new ATOM 0 HE2 TYR A 68 20.025 9.910 1.982 1.00 71.30 H new ATOM 0 HH TYR A 68 19.300 11.759 0.862 1.00 22.45 H new ATOM 1036 N ALA A 69 14.557 6.508 1.832 1.00 1.05 N ATOM 1037 CA ALA A 69 13.159 6.528 1.434 1.00 4.35 C ATOM 1038 C ALA A 69 13.007 5.845 0.071 1.00 3.43 C ATOM 1039 O ALA A 69 13.994 5.461 -0.563 1.00 2.14 O ATOM 1040 CB ALA A 69 12.644 7.971 1.489 1.00 30.22 C ATOM 0 H ALA A 69 15.147 7.088 1.235 1.00 1.05 H new ATOM 0 HA ALA A 69 12.535 5.957 2.121 1.00 4.35 H new ATOM 0 HB1 ALA A 69 11.596 7.995 1.192 1.00 30.22 H new ATOM 0 HB2 ALA A 69 12.742 8.354 2.505 1.00 30.22 H new ATOM 0 HB3 ALA A 69 13.228 8.592 0.810 1.00 30.22 H new ATOM 1046 N LEU A 70 11.767 5.703 -0.400 1.00 13.03 N ATOM 1047 CA LEU A 70 11.461 5.104 -1.689 1.00 72.11 C ATOM 1048 C LEU A 70 10.381 5.957 -2.348 1.00 52.43 C ATOM 1049 O LEU A 70 9.424 6.346 -1.675 1.00 12.12 O ATOM 1050 CB LEU A 70 11.005 3.639 -1.509 1.00 41.34 C ATOM 1051 CG LEU A 70 11.599 2.687 -2.565 1.00 42.44 C ATOM 1052 CD1 LEU A 70 10.967 1.302 -2.496 1.00 54.34 C ATOM 1053 CD2 LEU A 70 11.396 3.198 -3.981 1.00 21.23 C ATOM 0 H LEU A 70 10.940 6.007 0.114 1.00 13.03 H new ATOM 0 HA LEU A 70 12.345 5.079 -2.326 1.00 72.11 H new ATOM 0 HB2 LEU A 70 11.292 3.295 -0.516 1.00 41.34 H new ATOM 0 HB3 LEU A 70 9.917 3.595 -1.559 1.00 41.34 H new ATOM 0 HG LEU A 70 12.663 2.635 -2.335 1.00 42.44 H new ATOM 0 HD11 LEU A 70 11.413 0.660 -3.256 1.00 54.34 H new ATOM 0 HD12 LEU A 70 11.141 0.871 -1.510 1.00 54.34 H new ATOM 0 HD13 LEU A 70 9.894 1.382 -2.672 1.00 54.34 H new ATOM 0 HD21 LEU A 70 11.832 2.492 -4.688 1.00 21.23 H new ATOM 0 HD22 LEU A 70 10.330 3.301 -4.181 1.00 21.23 H new ATOM 0 HD23 LEU A 70 11.881 4.168 -4.091 1.00 21.23 H new ATOM 1065 N LYS A 71 10.537 6.272 -3.633 1.00 1.35 N ATOM 1066 CA LYS A 71 9.662 7.105 -4.445 1.00 74.20 C ATOM 1067 C LYS A 71 8.724 6.154 -5.203 1.00 71.34 C ATOM 1068 O LYS A 71 9.078 5.624 -6.259 1.00 31.23 O ATOM 1069 CB LYS A 71 10.571 7.998 -5.332 1.00 54.11 C ATOM 1070 CG LYS A 71 10.140 9.467 -5.442 1.00 74.14 C ATOM 1071 CD LYS A 71 11.322 10.431 -5.308 1.00 10.34 C ATOM 1072 CE LYS A 71 10.763 11.862 -5.324 1.00 32.15 C ATOM 1073 NZ LYS A 71 11.794 12.911 -5.229 1.00 33.44 N ATOM 0 H LYS A 71 11.334 5.926 -4.167 1.00 1.35 H new ATOM 0 HA LYS A 71 9.024 7.788 -3.883 1.00 74.20 H new ATOM 0 HB2 LYS A 71 11.586 7.963 -4.935 1.00 54.11 H new ATOM 0 HB3 LYS A 71 10.606 7.571 -6.334 1.00 54.11 H new ATOM 0 HG2 LYS A 71 9.649 9.628 -6.402 1.00 74.14 H new ATOM 0 HG3 LYS A 71 9.405 9.687 -4.667 1.00 74.14 H new ATOM 0 HD2 LYS A 71 11.865 10.243 -4.382 1.00 10.34 H new ATOM 0 HD3 LYS A 71 12.027 10.287 -6.126 1.00 10.34 H new ATOM 0 HE2 LYS A 71 10.194 12.008 -6.242 1.00 32.15 H new ATOM 0 HE3 LYS A 71 10.065 11.977 -4.495 1.00 32.15 H new ATOM 0 HZ1 LYS A 71 11.340 13.847 -5.246 1.00 33.44 H new ATOM 0 HZ2 LYS A 71 12.323 12.799 -4.340 1.00 33.44 H new ATOM 0 HZ3 LYS A 71 12.448 12.829 -6.033 1.00 33.44 H new ATOM 1087 N LEU A 72 7.594 5.800 -4.582 1.00 30.11 N ATOM 1088 CA LEU A 72 6.556 4.949 -5.155 1.00 74.24 C ATOM 1089 C LEU A 72 5.683 5.785 -6.092 1.00 10.44 C ATOM 1090 O LEU A 72 5.286 6.891 -5.719 1.00 2.42 O ATOM 1091 CB LEU A 72 5.678 4.385 -4.034 1.00 31.34 C ATOM 1092 CG LEU A 72 5.647 2.857 -3.912 1.00 14.35 C ATOM 1093 CD1 LEU A 72 5.310 2.097 -5.198 1.00 62.14 C ATOM 1094 CD2 LEU A 72 6.748 2.211 -3.073 1.00 54.02 C ATOM 0 H LEU A 72 7.373 6.110 -3.636 1.00 30.11 H new ATOM 0 HA LEU A 72 7.021 4.131 -5.705 1.00 74.24 H new ATOM 0 HB2 LEU A 72 6.022 4.799 -3.086 1.00 31.34 H new ATOM 0 HB3 LEU A 72 4.658 4.739 -4.185 1.00 31.34 H new ATOM 0 HG LEU A 72 4.765 2.726 -3.285 1.00 14.35 H new ATOM 0 HD11 LEU A 72 5.315 1.025 -4.999 1.00 62.14 H new ATOM 0 HD12 LEU A 72 4.322 2.396 -5.549 1.00 62.14 H new ATOM 0 HD13 LEU A 72 6.052 2.328 -5.962 1.00 62.14 H new ATOM 0 HD21 LEU A 72 6.613 1.129 -3.066 1.00 54.02 H new ATOM 0 HD22 LEU A 72 7.721 2.453 -3.501 1.00 54.02 H new ATOM 0 HD23 LEU A 72 6.697 2.589 -2.052 1.00 54.02 H new ATOM 1106 N SER A 73 5.280 5.224 -7.231 1.00 14.32 N ATOM 1107 CA SER A 73 4.464 5.912 -8.218 1.00 1.55 C ATOM 1108 C SER A 73 3.262 5.023 -8.509 1.00 44.43 C ATOM 1109 O SER A 73 3.431 3.926 -9.047 1.00 41.50 O ATOM 1110 CB SER A 73 5.268 6.151 -9.497 1.00 32.21 C ATOM 1111 OG SER A 73 6.530 6.749 -9.301 1.00 31.05 O ATOM 0 H SER A 73 5.516 4.267 -7.493 1.00 14.32 H new ATOM 0 HA SER A 73 4.143 6.883 -7.842 1.00 1.55 H new ATOM 0 HB2 SER A 73 5.409 5.196 -10.004 1.00 32.21 H new ATOM 0 HB3 SER A 73 4.682 6.783 -10.165 1.00 32.21 H new ATOM 0 HG SER A 73 6.474 7.706 -9.506 1.00 31.05 H new ATOM 1117 N PHE A 74 2.054 5.457 -8.157 1.00 13.31 N ATOM 1118 CA PHE A 74 0.848 4.646 -8.291 1.00 42.43 C ATOM 1119 C PHE A 74 -0.005 5.184 -9.427 1.00 21.24 C ATOM 1120 O PHE A 74 -0.217 6.383 -9.548 1.00 3.32 O ATOM 1121 CB PHE A 74 0.052 4.647 -6.981 1.00 2.22 C ATOM 1122 CG PHE A 74 0.867 4.519 -5.708 1.00 42.41 C ATOM 1123 CD1 PHE A 74 1.549 3.325 -5.421 1.00 71.23 C ATOM 1124 CD2 PHE A 74 0.930 5.589 -4.793 1.00 43.12 C ATOM 1125 CE1 PHE A 74 2.206 3.172 -4.195 1.00 50.14 C ATOM 1126 CE2 PHE A 74 1.606 5.442 -3.572 1.00 32.14 C ATOM 1127 CZ PHE A 74 2.220 4.220 -3.258 1.00 70.44 C ATOM 0 H PHE A 74 1.884 6.385 -7.769 1.00 13.31 H new ATOM 0 HA PHE A 74 1.135 3.619 -8.515 1.00 42.43 H new ATOM 0 HB2 PHE A 74 -0.523 5.571 -6.929 1.00 2.22 H new ATOM 0 HB3 PHE A 74 -0.665 3.827 -7.014 1.00 2.22 H new ATOM 0 HD1 PHE A 74 1.566 2.525 -6.146 1.00 71.23 H new ATOM 0 HD2 PHE A 74 0.455 6.529 -5.033 1.00 43.12 H new ATOM 0 HE1 PHE A 74 2.706 2.242 -3.967 1.00 50.14 H new ATOM 0 HE2 PHE A 74 1.653 6.267 -2.876 1.00 32.14 H new ATOM 0 HZ PHE A 74 2.701 4.085 -2.301 1.00 70.44 H new ATOM 1137 N ASP A 75 -0.526 4.279 -10.240 1.00 25.32 N ATOM 1138 CA ASP A 75 -1.351 4.592 -11.407 1.00 13.32 C ATOM 1139 C ASP A 75 -2.569 5.454 -11.070 1.00 2.32 C ATOM 1140 O ASP A 75 -2.932 6.314 -11.862 1.00 13.42 O ATOM 1141 CB ASP A 75 -1.757 3.249 -11.993 1.00 25.12 C ATOM 1142 CG ASP A 75 -2.861 3.258 -13.034 1.00 21.32 C ATOM 1143 OD1 ASP A 75 -2.708 3.973 -14.041 1.00 51.42 O ATOM 1144 OD2 ASP A 75 -3.747 2.382 -12.907 1.00 74.04 O ATOM 0 H ASP A 75 -0.386 3.278 -10.107 1.00 25.32 H new ATOM 0 HA ASP A 75 -0.788 5.194 -12.120 1.00 13.32 H new ATOM 0 HB2 ASP A 75 -0.873 2.793 -12.440 1.00 25.12 H new ATOM 0 HB3 ASP A 75 -2.069 2.602 -11.173 1.00 25.12 H new ATOM 1149 N ASP A 76 -3.127 5.320 -9.863 1.00 51.24 N ATOM 1150 CA ASP A 76 -4.256 6.127 -9.378 1.00 44.40 C ATOM 1151 C ASP A 76 -3.796 7.147 -8.311 1.00 51.52 C ATOM 1152 O ASP A 76 -4.560 7.543 -7.428 1.00 5.12 O ATOM 1153 CB ASP A 76 -5.349 5.170 -8.877 1.00 23.05 C ATOM 1154 CG ASP A 76 -6.647 5.875 -8.479 1.00 73.12 C ATOM 1155 OD1 ASP A 76 -7.385 6.371 -9.367 1.00 30.13 O ATOM 1156 OD2 ASP A 76 -6.947 5.915 -7.264 1.00 43.13 O ATOM 0 H ASP A 76 -2.802 4.635 -9.181 1.00 51.24 H new ATOM 0 HA ASP A 76 -4.673 6.729 -10.185 1.00 44.40 H new ATOM 0 HB2 ASP A 76 -5.566 4.440 -9.657 1.00 23.05 H new ATOM 0 HB3 ASP A 76 -4.969 4.616 -8.019 1.00 23.05 H new ATOM 1161 N GLY A 77 -2.517 7.535 -8.313 1.00 33.05 N ATOM 1162 CA GLY A 77 -1.885 8.222 -7.188 1.00 24.45 C ATOM 1163 C GLY A 77 -1.294 9.590 -7.506 1.00 73.41 C ATOM 1164 O GLY A 77 -1.419 10.114 -8.611 1.00 43.10 O ATOM 0 H GLY A 77 -1.889 7.379 -9.102 1.00 33.05 H new ATOM 0 HA2 GLY A 77 -2.623 8.340 -6.395 1.00 24.45 H new ATOM 0 HA3 GLY A 77 -1.093 7.585 -6.794 1.00 24.45 H new ATOM 1168 N HIS A 78 -0.666 10.151 -6.473 1.00 4.12 N ATOM 1169 CA HIS A 78 -0.009 11.454 -6.409 1.00 32.14 C ATOM 1170 C HIS A 78 1.508 11.365 -6.605 1.00 54.33 C ATOM 1171 O HIS A 78 2.126 12.394 -6.876 1.00 45.21 O ATOM 1172 CB HIS A 78 -0.390 12.055 -5.043 1.00 30.12 C ATOM 1173 CG HIS A 78 0.547 13.067 -4.425 1.00 31.41 C ATOM 1174 ND1 HIS A 78 1.456 12.787 -3.433 1.00 2.15 N ATOM 1175 CD2 HIS A 78 0.612 14.409 -4.677 1.00 74.14 C ATOM 1176 CE1 HIS A 78 2.069 13.933 -3.099 1.00 53.00 C ATOM 1177 NE2 HIS A 78 1.577 14.963 -3.816 1.00 23.44 N ATOM 0 H HIS A 78 -0.599 9.661 -5.581 1.00 4.12 H new ATOM 0 HA HIS A 78 -0.344 12.094 -7.226 1.00 32.14 H new ATOM 0 HB2 HIS A 78 -1.368 12.525 -5.147 1.00 30.12 H new ATOM 0 HB3 HIS A 78 -0.505 11.232 -4.337 1.00 30.12 H new ATOM 0 HD2 HIS A 78 0.027 14.948 -5.407 1.00 74.14 H new ATOM 0 HE1 HIS A 78 2.850 14.018 -2.357 1.00 53.00 H new ATOM 0 HE2 HIS A 78 1.849 15.944 -3.748 1.00 23.44 H new ATOM 1185 N ASP A 79 2.084 10.156 -6.548 1.00 4.13 N ATOM 1186 CA ASP A 79 3.521 9.840 -6.635 1.00 24.32 C ATOM 1187 C ASP A 79 4.279 10.401 -5.412 1.00 64.32 C ATOM 1188 O ASP A 79 3.719 11.200 -4.655 1.00 62.51 O ATOM 1189 CB ASP A 79 4.018 10.315 -8.025 1.00 64.24 C ATOM 1190 CG ASP A 79 5.436 9.965 -8.428 1.00 25.22 C ATOM 1191 OD1 ASP A 79 6.405 10.564 -7.927 1.00 2.31 O ATOM 1192 OD2 ASP A 79 5.593 9.145 -9.358 1.00 65.01 O ATOM 0 H ASP A 79 1.521 9.313 -6.432 1.00 4.13 H new ATOM 0 HA ASP A 79 3.719 8.770 -6.580 1.00 24.32 H new ATOM 0 HB2 ASP A 79 3.345 9.905 -8.779 1.00 64.24 H new ATOM 0 HB3 ASP A 79 3.917 11.400 -8.064 1.00 64.24 H new ATOM 1197 N SER A 80 5.515 9.960 -5.155 1.00 44.02 N ATOM 1198 CA SER A 80 6.452 10.580 -4.216 1.00 65.44 C ATOM 1199 C SER A 80 5.949 10.684 -2.762 1.00 23.43 C ATOM 1200 O SER A 80 4.992 10.025 -2.356 1.00 14.34 O ATOM 1201 CB SER A 80 6.906 11.899 -4.862 1.00 32.35 C ATOM 1202 OG SER A 80 7.956 12.523 -4.153 1.00 41.42 O ATOM 0 H SER A 80 5.902 9.134 -5.611 1.00 44.02 H new ATOM 0 HA SER A 80 7.316 9.933 -4.063 1.00 65.44 H new ATOM 0 HB2 SER A 80 7.229 11.705 -5.885 1.00 32.35 H new ATOM 0 HB3 SER A 80 6.057 12.581 -4.920 1.00 32.35 H new ATOM 0 HG SER A 80 8.418 13.155 -4.742 1.00 41.42 H new ATOM 1208 N GLY A 81 6.661 11.447 -1.927 1.00 64.50 N ATOM 1209 CA GLY A 81 6.248 11.837 -0.591 1.00 14.01 C ATOM 1210 C GLY A 81 6.877 11.047 0.561 1.00 13.15 C ATOM 1211 O GLY A 81 6.244 10.953 1.609 1.00 70.20 O ATOM 0 H GLY A 81 7.576 11.820 -2.181 1.00 64.50 H new ATOM 0 HA2 GLY A 81 6.482 12.892 -0.453 1.00 14.01 H new ATOM 0 HA3 GLY A 81 5.164 11.740 -0.524 1.00 14.01 H new ATOM 1215 N LEU A 82 8.091 10.502 0.405 1.00 12.23 N ATOM 1216 CA LEU A 82 8.773 9.579 1.332 1.00 44.04 C ATOM 1217 C LEU A 82 7.992 8.269 1.519 1.00 73.14 C ATOM 1218 O LEU A 82 6.953 8.059 0.889 1.00 42.04 O ATOM 1219 CB LEU A 82 9.152 10.250 2.682 1.00 54.01 C ATOM 1220 CG LEU A 82 10.456 11.068 2.692 1.00 25.52 C ATOM 1221 CD1 LEU A 82 10.340 12.420 1.980 1.00 2.25 C ATOM 1222 CD2 LEU A 82 10.902 11.328 4.137 1.00 65.44 C ATOM 0 H LEU A 82 8.659 10.703 -0.418 1.00 12.23 H new ATOM 0 HA LEU A 82 9.719 9.312 0.861 1.00 44.04 H new ATOM 0 HB2 LEU A 82 8.334 10.906 2.980 1.00 54.01 H new ATOM 0 HB3 LEU A 82 9.230 9.472 3.441 1.00 54.01 H new ATOM 0 HG LEU A 82 11.186 10.467 2.149 1.00 25.52 H new ATOM 0 HD11 LEU A 82 11.297 12.940 2.028 1.00 2.25 H new ATOM 0 HD12 LEU A 82 10.066 12.260 0.937 1.00 2.25 H new ATOM 0 HD13 LEU A 82 9.575 13.024 2.468 1.00 2.25 H new ATOM 0 HD21 LEU A 82 11.825 11.907 4.134 1.00 65.44 H new ATOM 0 HD22 LEU A 82 10.126 11.884 4.663 1.00 65.44 H new ATOM 0 HD23 LEU A 82 11.072 10.377 4.642 1.00 65.44 H new ATOM 1234 N PHE A 83 8.563 7.343 2.296 1.00 31.15 N ATOM 1235 CA PHE A 83 7.996 6.070 2.741 1.00 30.32 C ATOM 1236 C PHE A 83 8.840 5.592 3.929 1.00 53.44 C ATOM 1237 O PHE A 83 8.319 5.401 5.027 1.00 14.32 O ATOM 1238 CB PHE A 83 8.002 5.022 1.608 1.00 74.40 C ATOM 1239 CG PHE A 83 6.611 4.676 1.110 1.00 42.00 C ATOM 1240 CD1 PHE A 83 5.808 3.778 1.838 1.00 25.54 C ATOM 1241 CD2 PHE A 83 6.091 5.298 -0.040 1.00 33.22 C ATOM 1242 CE1 PHE A 83 4.487 3.522 1.435 1.00 3.22 C ATOM 1243 CE2 PHE A 83 4.766 5.048 -0.439 1.00 53.12 C ATOM 1244 CZ PHE A 83 3.965 4.159 0.302 1.00 41.03 C ATOM 0 H PHE A 83 9.507 7.477 2.657 1.00 31.15 H new ATOM 0 HA PHE A 83 6.954 6.203 3.033 1.00 30.32 H new ATOM 0 HB2 PHE A 83 8.596 5.399 0.776 1.00 74.40 H new ATOM 0 HB3 PHE A 83 8.491 4.115 1.963 1.00 74.40 H new ATOM 0 HD1 PHE A 83 6.209 3.284 2.710 1.00 25.54 H new ATOM 0 HD2 PHE A 83 6.710 5.968 -0.617 1.00 33.22 H new ATOM 0 HE1 PHE A 83 3.874 2.834 1.999 1.00 3.22 H new ATOM 0 HE2 PHE A 83 4.363 5.538 -1.313 1.00 53.12 H new ATOM 0 HZ PHE A 83 2.947 3.968 -0.003 1.00 41.03 H new ATOM 1254 N THR A 84 10.150 5.498 3.689 1.00 25.43 N ATOM 1255 CA THR A 84 11.219 5.103 4.602 1.00 44.13 C ATOM 1256 C THR A 84 11.240 3.585 4.839 1.00 2.31 C ATOM 1257 O THR A 84 10.208 2.910 4.840 1.00 62.51 O ATOM 1258 CB THR A 84 11.225 5.960 5.886 1.00 51.13 C ATOM 1259 OG1 THR A 84 10.819 7.291 5.578 1.00 24.45 O ATOM 1260 CG2 THR A 84 12.628 6.074 6.492 1.00 71.53 C ATOM 0 H THR A 84 10.521 5.717 2.764 1.00 25.43 H new ATOM 0 HA THR A 84 12.173 5.320 4.121 1.00 44.13 H new ATOM 0 HB THR A 84 10.550 5.472 6.589 1.00 51.13 H new ATOM 0 HG1 THR A 84 10.822 7.831 6.395 1.00 24.45 H new ATOM 0 HG21 THR A 84 12.586 6.685 7.394 1.00 71.53 H new ATOM 0 HG22 THR A 84 12.997 5.080 6.744 1.00 71.53 H new ATOM 0 HG23 THR A 84 13.300 6.538 5.770 1.00 71.53 H new ATOM 1268 N TRP A 85 12.452 3.033 4.968 1.00 53.34 N ATOM 1269 CA TRP A 85 12.683 1.594 4.882 1.00 44.42 C ATOM 1270 C TRP A 85 12.069 0.831 6.045 1.00 32.51 C ATOM 1271 O TRP A 85 11.610 -0.299 5.868 1.00 61.54 O ATOM 1272 CB TRP A 85 14.191 1.314 4.794 1.00 61.21 C ATOM 1273 CG TRP A 85 14.800 1.623 3.462 1.00 32.21 C ATOM 1274 CD1 TRP A 85 15.867 2.419 3.241 1.00 5.32 C ATOM 1275 CD2 TRP A 85 14.361 1.169 2.147 1.00 31.11 C ATOM 1276 NE1 TRP A 85 16.106 2.508 1.884 1.00 65.21 N ATOM 1277 CE2 TRP A 85 15.186 1.781 1.160 1.00 70.14 C ATOM 1278 CE3 TRP A 85 13.314 0.341 1.687 1.00 13.11 C ATOM 1279 CZ2 TRP A 85 14.974 1.582 -0.212 1.00 32.15 C ATOM 1280 CZ3 TRP A 85 13.088 0.143 0.313 1.00 64.11 C ATOM 1281 CH2 TRP A 85 13.921 0.759 -0.636 1.00 61.32 C ATOM 0 H TRP A 85 13.299 3.576 5.135 1.00 53.34 H new ATOM 0 HA TRP A 85 12.188 1.238 3.978 1.00 44.42 H new ATOM 0 HB2 TRP A 85 14.702 1.899 5.558 1.00 61.21 H new ATOM 0 HB3 TRP A 85 14.367 0.264 5.026 1.00 61.21 H new ATOM 0 HD1 TRP A 85 16.446 2.911 4.008 1.00 5.32 H new ATOM 0 HE1 TRP A 85 16.868 3.045 1.469 1.00 65.21 H new ATOM 0 HE3 TRP A 85 12.674 -0.150 2.405 1.00 13.11 H new ATOM 0 HZ2 TRP A 85 15.617 2.059 -0.937 1.00 32.15 H new ATOM 0 HZ3 TRP A 85 12.272 -0.484 -0.014 1.00 64.11 H new ATOM 0 HH2 TRP A 85 13.751 0.599 -1.690 1.00 61.32 H new ATOM 1292 N ASP A 86 12.039 1.456 7.222 1.00 65.14 N ATOM 1293 CA ASP A 86 11.552 0.810 8.439 1.00 41.30 C ATOM 1294 C ASP A 86 10.081 0.463 8.265 1.00 52.32 C ATOM 1295 O ASP A 86 9.675 -0.679 8.493 1.00 4.45 O ATOM 1296 CB ASP A 86 11.793 1.721 9.649 1.00 3.35 C ATOM 1297 CG ASP A 86 13.217 1.523 10.147 1.00 41.21 C ATOM 1298 OD1 ASP A 86 13.432 0.626 10.987 1.00 43.43 O ATOM 1299 OD2 ASP A 86 14.146 2.189 9.634 1.00 61.21 O ATOM 0 H ASP A 86 12.350 2.418 7.358 1.00 65.14 H new ATOM 0 HA ASP A 86 12.098 -0.116 8.620 1.00 41.30 H new ATOM 0 HB2 ASP A 86 11.633 2.763 9.373 1.00 3.35 H new ATOM 0 HB3 ASP A 86 11.082 1.489 10.442 1.00 3.35 H new ATOM 1304 N TYR A 87 9.318 1.449 7.789 1.00 64.33 N ATOM 1305 CA TYR A 87 7.914 1.352 7.448 1.00 3.13 C ATOM 1306 C TYR A 87 7.699 0.386 6.282 1.00 42.10 C ATOM 1307 O TYR A 87 6.813 -0.455 6.362 1.00 50.02 O ATOM 1308 CB TYR A 87 7.426 2.764 7.112 1.00 25.31 C ATOM 1309 CG TYR A 87 5.953 2.888 6.798 1.00 52.13 C ATOM 1310 CD1 TYR A 87 4.977 2.430 7.704 1.00 24.23 C ATOM 1311 CD2 TYR A 87 5.559 3.501 5.597 1.00 14.02 C ATOM 1312 CE1 TYR A 87 3.613 2.606 7.416 1.00 33.54 C ATOM 1313 CE2 TYR A 87 4.199 3.656 5.296 1.00 65.22 C ATOM 1314 CZ TYR A 87 3.215 3.222 6.208 1.00 31.23 C ATOM 1315 OH TYR A 87 1.897 3.376 5.905 1.00 53.10 O ATOM 0 H TYR A 87 9.692 2.384 7.625 1.00 64.33 H new ATOM 0 HA TYR A 87 7.342 0.951 8.285 1.00 3.13 H new ATOM 0 HB2 TYR A 87 7.656 3.418 7.953 1.00 25.31 H new ATOM 0 HB3 TYR A 87 7.994 3.132 6.257 1.00 25.31 H new ATOM 0 HD1 TYR A 87 5.277 1.943 8.620 1.00 24.23 H new ATOM 0 HD2 TYR A 87 6.307 3.854 4.903 1.00 14.02 H new ATOM 0 HE1 TYR A 87 2.866 2.269 8.120 1.00 33.54 H new ATOM 0 HE2 TYR A 87 3.903 4.110 4.362 1.00 65.22 H new ATOM 0 HH TYR A 87 1.798 3.527 4.942 1.00 53.10 H new ATOM 1325 N LEU A 88 8.478 0.466 5.196 1.00 10.43 N ATOM 1326 CA LEU A 88 8.204 -0.346 4.005 1.00 41.00 C ATOM 1327 C LEU A 88 8.298 -1.846 4.261 1.00 3.34 C ATOM 1328 O LEU A 88 7.450 -2.600 3.783 1.00 70.14 O ATOM 1329 CB LEU A 88 9.115 0.049 2.836 1.00 72.14 C ATOM 1330 CG LEU A 88 8.447 1.090 1.925 1.00 13.32 C ATOM 1331 CD1 LEU A 88 9.490 1.624 0.948 1.00 52.22 C ATOM 1332 CD2 LEU A 88 7.270 0.514 1.118 1.00 14.03 C ATOM 0 H LEU A 88 9.292 1.076 5.117 1.00 10.43 H new ATOM 0 HA LEU A 88 7.169 -0.133 3.738 1.00 41.00 H new ATOM 0 HB2 LEU A 88 10.051 0.451 3.223 1.00 72.14 H new ATOM 0 HB3 LEU A 88 9.366 -0.838 2.254 1.00 72.14 H new ATOM 0 HG LEU A 88 8.050 1.877 2.566 1.00 13.32 H new ATOM 0 HD11 LEU A 88 9.030 2.365 0.294 1.00 52.22 H new ATOM 0 HD12 LEU A 88 10.306 2.087 1.504 1.00 52.22 H new ATOM 0 HD13 LEU A 88 9.880 0.802 0.348 1.00 52.22 H new ATOM 0 HD21 LEU A 88 6.839 1.297 0.494 1.00 14.03 H new ATOM 0 HD22 LEU A 88 7.626 -0.300 0.486 1.00 14.03 H new ATOM 0 HD23 LEU A 88 6.510 0.136 1.802 1.00 14.03 H new ATOM 1344 N TYR A 89 9.312 -2.302 4.995 1.00 41.22 N ATOM 1345 CA TYR A 89 9.375 -3.716 5.341 1.00 24.34 C ATOM 1346 C TYR A 89 8.369 -4.056 6.435 1.00 74.20 C ATOM 1347 O TYR A 89 7.874 -5.178 6.442 1.00 51.00 O ATOM 1348 CB TYR A 89 10.793 -4.118 5.740 1.00 73.41 C ATOM 1349 CG TYR A 89 11.508 -5.101 4.818 1.00 41.24 C ATOM 1350 CD1 TYR A 89 10.857 -6.112 4.078 1.00 53.01 C ATOM 1351 CD2 TYR A 89 12.897 -4.987 4.702 1.00 63.22 C ATOM 1352 CE1 TYR A 89 11.602 -6.942 3.228 1.00 65.13 C ATOM 1353 CE2 TYR A 89 13.650 -5.824 3.884 1.00 52.11 C ATOM 1354 CZ TYR A 89 13.006 -6.846 3.169 1.00 10.34 C ATOM 1355 OH TYR A 89 13.718 -7.696 2.393 1.00 30.45 O ATOM 0 H TYR A 89 10.078 -1.731 5.351 1.00 41.22 H new ATOM 0 HA TYR A 89 9.106 -4.294 4.457 1.00 24.34 H new ATOM 0 HB2 TYR A 89 11.397 -3.213 5.808 1.00 73.41 H new ATOM 0 HB3 TYR A 89 10.756 -4.553 6.739 1.00 73.41 H new ATOM 0 HD1 TYR A 89 9.789 -6.246 4.166 1.00 53.01 H new ATOM 0 HD2 TYR A 89 13.405 -4.220 5.269 1.00 63.22 H new ATOM 0 HE1 TYR A 89 11.092 -7.666 2.609 1.00 65.13 H new ATOM 0 HE2 TYR A 89 14.718 -5.689 3.800 1.00 52.11 H new ATOM 0 HH TYR A 89 13.177 -7.966 1.622 1.00 30.45 H new ATOM 1365 N GLU A 90 8.034 -3.124 7.330 1.00 60.34 N ATOM 1366 CA GLU A 90 6.991 -3.355 8.320 1.00 55.32 C ATOM 1367 C GLU A 90 5.665 -3.635 7.599 1.00 33.43 C ATOM 1368 O GLU A 90 5.046 -4.670 7.837 1.00 20.44 O ATOM 1369 CB GLU A 90 6.935 -2.168 9.296 1.00 55.14 C ATOM 1370 CG GLU A 90 5.902 -2.390 10.397 1.00 63.54 C ATOM 1371 CD GLU A 90 6.244 -1.650 11.688 1.00 15.05 C ATOM 1372 OE1 GLU A 90 6.468 -0.418 11.653 1.00 55.42 O ATOM 1373 OE2 GLU A 90 6.230 -2.306 12.755 1.00 14.12 O ATOM 0 H GLU A 90 8.472 -2.205 7.386 1.00 60.34 H new ATOM 0 HA GLU A 90 7.208 -4.235 8.926 1.00 55.32 H new ATOM 0 HB2 GLU A 90 7.917 -2.019 9.744 1.00 55.14 H new ATOM 0 HB3 GLU A 90 6.693 -1.258 8.748 1.00 55.14 H new ATOM 0 HG2 GLU A 90 4.925 -2.061 10.043 1.00 63.54 H new ATOM 0 HG3 GLU A 90 5.823 -3.457 10.605 1.00 63.54 H new ATOM 1380 N LEU A 91 5.284 -2.788 6.638 1.00 43.11 N ATOM 1381 CA LEU A 91 4.126 -2.956 5.762 1.00 54.04 C ATOM 1382 C LEU A 91 4.095 -4.344 5.121 1.00 34.31 C ATOM 1383 O LEU A 91 3.013 -4.911 5.017 1.00 71.51 O ATOM 1384 CB LEU A 91 4.134 -1.891 4.651 1.00 74.14 C ATOM 1385 CG LEU A 91 3.761 -0.448 5.048 1.00 4.35 C ATOM 1386 CD1 LEU A 91 4.021 0.479 3.853 1.00 64.23 C ATOM 1387 CD2 LEU A 91 2.301 -0.302 5.474 1.00 34.35 C ATOM 0 H LEU A 91 5.799 -1.929 6.443 1.00 43.11 H new ATOM 0 HA LEU A 91 3.237 -2.841 6.382 1.00 54.04 H new ATOM 0 HB2 LEU A 91 5.131 -1.872 4.210 1.00 74.14 H new ATOM 0 HB3 LEU A 91 3.446 -2.214 3.870 1.00 74.14 H new ATOM 0 HG LEU A 91 4.378 -0.181 5.906 1.00 4.35 H new ATOM 0 HD11 LEU A 91 3.760 1.502 4.123 1.00 64.23 H new ATOM 0 HD12 LEU A 91 5.075 0.433 3.579 1.00 64.23 H new ATOM 0 HD13 LEU A 91 3.412 0.161 3.007 1.00 64.23 H new ATOM 0 HD21 LEU A 91 2.102 0.736 5.741 1.00 34.35 H new ATOM 0 HD22 LEU A 91 1.650 -0.596 4.650 1.00 34.35 H new ATOM 0 HD23 LEU A 91 2.108 -0.942 6.335 1.00 34.35 H new ATOM 1399 N ALA A 92 5.243 -4.902 4.716 1.00 71.12 N ATOM 1400 CA ALA A 92 5.331 -6.238 4.128 1.00 21.13 C ATOM 1401 C ALA A 92 4.672 -7.277 5.042 1.00 20.43 C ATOM 1402 O ALA A 92 3.753 -7.976 4.620 1.00 62.54 O ATOM 1403 CB ALA A 92 6.793 -6.582 3.795 1.00 72.24 C ATOM 0 H ALA A 92 6.145 -4.431 4.790 1.00 71.12 H new ATOM 0 HA ALA A 92 4.778 -6.253 3.189 1.00 21.13 H new ATOM 0 HB1 ALA A 92 6.842 -7.579 3.358 1.00 72.24 H new ATOM 0 HB2 ALA A 92 7.185 -5.855 3.084 1.00 72.24 H new ATOM 0 HB3 ALA A 92 7.390 -6.556 4.707 1.00 72.24 H new ATOM 1409 N THR A 93 5.120 -7.372 6.294 1.00 63.33 N ATOM 1410 CA THR A 93 4.629 -8.383 7.235 1.00 51.42 C ATOM 1411 C THR A 93 3.290 -7.951 7.844 1.00 23.30 C ATOM 1412 O THR A 93 2.448 -8.778 8.205 1.00 44.23 O ATOM 1413 CB THR A 93 5.726 -8.737 8.266 1.00 53.24 C ATOM 1414 OG1 THR A 93 5.207 -9.397 9.399 1.00 40.24 O ATOM 1415 CG2 THR A 93 6.531 -7.547 8.779 1.00 63.34 C ATOM 0 H THR A 93 5.831 -6.754 6.685 1.00 63.33 H new ATOM 0 HA THR A 93 4.415 -9.312 6.707 1.00 51.42 H new ATOM 0 HB THR A 93 6.388 -9.389 7.696 1.00 53.24 H new ATOM 0 HG1 THR A 93 5.936 -9.602 10.021 1.00 40.24 H new ATOM 0 HG21 THR A 93 7.275 -7.893 9.496 1.00 63.34 H new ATOM 0 HG22 THR A 93 7.032 -7.059 7.943 1.00 63.34 H new ATOM 0 HG23 THR A 93 5.862 -6.837 9.265 1.00 63.34 H new ATOM 1423 N ARG A 94 3.035 -6.647 7.923 1.00 74.24 N ATOM 1424 CA ARG A 94 1.803 -6.118 8.480 1.00 62.52 C ATOM 1425 C ARG A 94 0.665 -6.222 7.492 1.00 2.11 C ATOM 1426 O ARG A 94 -0.470 -6.162 7.950 1.00 53.01 O ATOM 1427 CB ARG A 94 2.037 -4.688 8.954 1.00 3.43 C ATOM 1428 CG ARG A 94 3.017 -4.641 10.133 1.00 64.23 C ATOM 1429 CD ARG A 94 2.304 -4.571 11.486 1.00 54.23 C ATOM 1430 NE ARG A 94 1.603 -5.823 11.813 1.00 62.25 N ATOM 1431 CZ ARG A 94 1.000 -6.118 12.966 1.00 31.54 C ATOM 1432 NH1 ARG A 94 1.010 -5.260 13.985 1.00 75.33 N ATOM 1433 NH2 ARG A 94 0.419 -7.301 13.092 1.00 54.13 N ATOM 0 H ARG A 94 3.683 -5.929 7.600 1.00 74.24 H new ATOM 0 HA ARG A 94 1.508 -6.717 9.342 1.00 62.52 H new ATOM 0 HB2 ARG A 94 2.427 -4.090 8.131 1.00 3.43 H new ATOM 0 HB3 ARG A 94 1.088 -4.242 9.250 1.00 3.43 H new ATOM 0 HG2 ARG A 94 3.654 -5.525 10.107 1.00 64.23 H new ATOM 0 HG3 ARG A 94 3.669 -3.775 10.025 1.00 64.23 H new ATOM 0 HD2 ARG A 94 3.032 -4.350 12.267 1.00 54.23 H new ATOM 0 HD3 ARG A 94 1.589 -3.749 11.475 1.00 54.23 H new ATOM 0 HE ARG A 94 1.575 -6.537 11.085 1.00 62.25 H new ATOM 0 HH11 ARG A 94 1.484 -4.362 13.891 1.00 75.33 H new ATOM 0 HH12 ARG A 94 0.544 -5.501 14.860 1.00 75.33 H new ATOM 0 HH21 ARG A 94 0.439 -7.964 12.317 1.00 54.13 H new ATOM 0 HH22 ARG A 94 -0.048 -7.549 13.964 1.00 54.13 H new ATOM 1447 N LYS A 95 0.922 -6.408 6.191 1.00 44.41 N ATOM 1448 CA LYS A 95 -0.105 -6.374 5.160 1.00 23.14 C ATOM 1449 C LYS A 95 -1.300 -7.218 5.572 1.00 71.13 C ATOM 1450 O LYS A 95 -2.428 -6.776 5.412 1.00 71.55 O ATOM 1451 CB LYS A 95 0.457 -6.858 3.816 1.00 70.12 C ATOM 1452 CG LYS A 95 -0.627 -7.022 2.737 1.00 21.40 C ATOM 1453 CD LYS A 95 -0.056 -7.688 1.481 1.00 42.21 C ATOM 1454 CE LYS A 95 -0.255 -9.205 1.371 1.00 24.13 C ATOM 1455 NZ LYS A 95 -0.008 -9.956 2.621 1.00 33.30 N ATOM 0 H LYS A 95 1.858 -6.587 5.829 1.00 44.41 H new ATOM 0 HA LYS A 95 -0.435 -5.342 5.040 1.00 23.14 H new ATOM 0 HB2 LYS A 95 1.207 -6.149 3.465 1.00 70.12 H new ATOM 0 HB3 LYS A 95 0.964 -7.812 3.962 1.00 70.12 H new ATOM 0 HG2 LYS A 95 -1.448 -7.622 3.130 1.00 21.40 H new ATOM 0 HG3 LYS A 95 -1.040 -6.046 2.480 1.00 21.40 H new ATOM 0 HD2 LYS A 95 -0.509 -7.218 0.608 1.00 42.21 H new ATOM 0 HD3 LYS A 95 1.013 -7.478 1.437 1.00 42.21 H new ATOM 0 HE2 LYS A 95 -1.276 -9.400 1.042 1.00 24.13 H new ATOM 0 HE3 LYS A 95 0.408 -9.589 0.596 1.00 24.13 H new ATOM 0 HZ1 LYS A 95 -0.149 -10.972 2.449 1.00 33.30 H new ATOM 0 HZ2 LYS A 95 0.969 -9.791 2.938 1.00 33.30 H new ATOM 0 HZ3 LYS A 95 -0.669 -9.634 3.356 1.00 33.30 H new ATOM 1469 N ASP A 96 -1.045 -8.420 6.071 1.00 21.52 N ATOM 1470 CA ASP A 96 -2.053 -9.380 6.503 1.00 53.33 C ATOM 1471 C ASP A 96 -3.053 -8.773 7.501 1.00 73.43 C ATOM 1472 O ASP A 96 -4.257 -8.991 7.378 1.00 53.42 O ATOM 1473 CB ASP A 96 -1.319 -10.587 7.095 1.00 62.42 C ATOM 1474 CG ASP A 96 -2.260 -11.755 7.341 1.00 34.10 C ATOM 1475 OD1 ASP A 96 -2.525 -12.506 6.379 1.00 0.02 O ATOM 1476 OD2 ASP A 96 -2.704 -11.920 8.497 1.00 61.32 O ATOM 0 H ASP A 96 -0.093 -8.767 6.191 1.00 21.52 H new ATOM 0 HA ASP A 96 -2.655 -9.687 5.648 1.00 53.33 H new ATOM 0 HB2 ASP A 96 -0.524 -10.897 6.417 1.00 62.42 H new ATOM 0 HB3 ASP A 96 -0.844 -10.299 8.033 1.00 62.42 H new ATOM 1481 N GLN A 97 -2.586 -7.970 8.463 1.00 32.43 N ATOM 1482 CA GLN A 97 -3.428 -7.244 9.410 1.00 60.11 C ATOM 1483 C GLN A 97 -4.054 -6.041 8.715 1.00 2.00 C ATOM 1484 O GLN A 97 -5.271 -5.875 8.735 1.00 54.01 O ATOM 1485 CB GLN A 97 -2.561 -6.767 10.587 1.00 4.14 C ATOM 1486 CG GLN A 97 -3.314 -5.940 11.645 1.00 23.44 C ATOM 1487 CD GLN A 97 -4.423 -6.712 12.351 1.00 61.44 C ATOM 1488 OE1 GLN A 97 -4.172 -7.678 13.074 1.00 15.33 O ATOM 1489 NE2 GLN A 97 -5.669 -6.338 12.138 1.00 62.24 N ATOM 0 H GLN A 97 -1.589 -7.805 8.605 1.00 32.43 H new ATOM 0 HA GLN A 97 -4.219 -7.897 9.778 1.00 60.11 H new ATOM 0 HB2 GLN A 97 -2.120 -7.638 11.072 1.00 4.14 H new ATOM 0 HB3 GLN A 97 -1.738 -6.169 10.196 1.00 4.14 H new ATOM 0 HG2 GLN A 97 -2.602 -5.583 12.389 1.00 23.44 H new ATOM 0 HG3 GLN A 97 -3.744 -5.060 11.167 1.00 23.44 H new ATOM 0 HE21 GLN A 97 -5.866 -5.537 11.538 1.00 62.24 H new ATOM 0 HE22 GLN A 97 -6.437 -6.850 12.573 1.00 62.24 H new ATOM 1498 N LEU A 98 -3.198 -5.193 8.138 1.00 40.15 N ATOM 1499 CA LEU A 98 -3.554 -3.881 7.623 1.00 73.31 C ATOM 1500 C LEU A 98 -4.642 -4.004 6.583 1.00 71.44 C ATOM 1501 O LEU A 98 -5.601 -3.246 6.608 1.00 2.21 O ATOM 1502 CB LEU A 98 -2.343 -3.211 6.965 1.00 64.51 C ATOM 1503 CG LEU A 98 -1.164 -2.975 7.920 1.00 15.30 C ATOM 1504 CD1 LEU A 98 0.049 -2.431 7.170 1.00 34.25 C ATOM 1505 CD2 LEU A 98 -1.523 -2.055 9.072 1.00 33.32 C ATOM 0 H LEU A 98 -2.210 -5.414 8.016 1.00 40.15 H new ATOM 0 HA LEU A 98 -3.900 -3.279 8.463 1.00 73.31 H new ATOM 0 HB2 LEU A 98 -2.006 -3.830 6.134 1.00 64.51 H new ATOM 0 HB3 LEU A 98 -2.654 -2.255 6.545 1.00 64.51 H new ATOM 0 HG LEU A 98 -0.912 -3.947 8.345 1.00 15.30 H new ATOM 0 HD11 LEU A 98 0.869 -2.273 7.870 1.00 34.25 H new ATOM 0 HD12 LEU A 98 0.356 -3.146 6.407 1.00 34.25 H new ATOM 0 HD13 LEU A 98 -0.211 -1.484 6.696 1.00 34.25 H new ATOM 0 HD21 LEU A 98 -0.654 -1.922 9.716 1.00 33.32 H new ATOM 0 HD22 LEU A 98 -1.836 -1.087 8.681 1.00 33.32 H new ATOM 0 HD23 LEU A 98 -2.338 -2.494 9.648 1.00 33.32 H new ATOM 1517 N TRP A 99 -4.487 -4.954 5.663 1.00 52.44 N ATOM 1518 CA TRP A 99 -5.425 -5.176 4.593 1.00 2.33 C ATOM 1519 C TRP A 99 -6.753 -5.664 5.139 1.00 42.14 C ATOM 1520 O TRP A 99 -7.784 -5.147 4.719 1.00 51.14 O ATOM 1521 CB TRP A 99 -4.846 -6.156 3.573 1.00 71.24 C ATOM 1522 CG TRP A 99 -5.710 -6.292 2.363 1.00 71.45 C ATOM 1523 CD1 TRP A 99 -6.225 -7.442 1.872 1.00 53.01 C ATOM 1524 CD2 TRP A 99 -6.239 -5.219 1.531 1.00 72.55 C ATOM 1525 NE1 TRP A 99 -6.994 -7.158 0.759 1.00 24.24 N ATOM 1526 CE2 TRP A 99 -7.082 -5.800 0.540 1.00 3.32 C ATOM 1527 CE3 TRP A 99 -6.061 -3.816 1.490 1.00 13.20 C ATOM 1528 CZ2 TRP A 99 -7.758 -5.018 -0.405 1.00 34.52 C ATOM 1529 CZ3 TRP A 99 -6.716 -3.028 0.523 1.00 4.31 C ATOM 1530 CH2 TRP A 99 -7.598 -3.625 -0.400 1.00 4.40 C ATOM 0 H TRP A 99 -3.692 -5.593 5.650 1.00 52.44 H new ATOM 0 HA TRP A 99 -5.606 -4.230 4.083 1.00 2.33 H new ATOM 0 HB2 TRP A 99 -3.854 -5.820 3.272 1.00 71.24 H new ATOM 0 HB3 TRP A 99 -4.723 -7.133 4.040 1.00 71.24 H new ATOM 0 HD1 TRP A 99 -6.061 -8.427 2.284 1.00 53.01 H new ATOM 0 HE1 TRP A 99 -7.440 -7.864 0.174 1.00 24.24 H new ATOM 0 HE3 TRP A 99 -5.413 -3.341 2.212 1.00 13.20 H new ATOM 0 HZ2 TRP A 99 -8.401 -5.487 -1.136 1.00 34.52 H new ATOM 0 HZ3 TRP A 99 -6.542 -1.963 0.489 1.00 4.31 H new ATOM 0 HH2 TRP A 99 -8.148 -3.013 -1.100 1.00 4.40 H new ATOM 1541 N ALA A 100 -6.743 -6.618 6.076 1.00 15.42 N ATOM 1542 CA ALA A 100 -7.982 -7.129 6.640 1.00 21.51 C ATOM 1543 C ALA A 100 -8.778 -6.004 7.291 1.00 53.42 C ATOM 1544 O ALA A 100 -9.996 -5.932 7.138 1.00 3.44 O ATOM 1545 CB ALA A 100 -7.710 -8.237 7.665 1.00 21.12 C ATOM 0 H ALA A 100 -5.896 -7.044 6.452 1.00 15.42 H new ATOM 0 HA ALA A 100 -8.567 -7.553 5.824 1.00 21.51 H new ATOM 0 HB1 ALA A 100 -8.655 -8.599 8.069 1.00 21.12 H new ATOM 0 HB2 ALA A 100 -7.184 -9.060 7.181 1.00 21.12 H new ATOM 0 HB3 ALA A 100 -7.097 -7.841 8.475 1.00 21.12 H new ATOM 1551 N ASP A 101 -8.073 -5.126 7.995 1.00 1.32 N ATOM 1552 CA ASP A 101 -8.645 -3.970 8.658 1.00 0.23 C ATOM 1553 C ASP A 101 -9.155 -2.936 7.650 1.00 3.04 C ATOM 1554 O ASP A 101 -10.284 -2.459 7.747 1.00 32.31 O ATOM 1555 CB ASP A 101 -7.574 -3.357 9.550 1.00 15.30 C ATOM 1556 CG ASP A 101 -8.193 -2.266 10.407 1.00 72.42 C ATOM 1557 OD1 ASP A 101 -9.208 -2.538 11.082 1.00 1.32 O ATOM 1558 OD2 ASP A 101 -7.608 -1.160 10.449 1.00 63.43 O ATOM 0 H ASP A 101 -7.064 -5.204 8.121 1.00 1.32 H new ATOM 0 HA ASP A 101 -9.503 -4.285 9.252 1.00 0.23 H new ATOM 0 HB2 ASP A 101 -7.130 -4.125 10.184 1.00 15.30 H new ATOM 0 HB3 ASP A 101 -6.771 -2.944 8.940 1.00 15.30 H new ATOM 1563 N TYR A 102 -8.350 -2.627 6.629 1.00 2.33 N ATOM 1564 CA TYR A 102 -8.723 -1.699 5.570 1.00 64.14 C ATOM 1565 C TYR A 102 -9.932 -2.209 4.789 1.00 33.11 C ATOM 1566 O TYR A 102 -10.684 -1.401 4.242 1.00 72.15 O ATOM 1567 CB TYR A 102 -7.554 -1.453 4.592 1.00 11.14 C ATOM 1568 CG TYR A 102 -7.112 -0.009 4.487 1.00 12.25 C ATOM 1569 CD1 TYR A 102 -8.061 0.993 4.206 1.00 3.22 C ATOM 1570 CD2 TYR A 102 -5.755 0.333 4.655 1.00 13.34 C ATOM 1571 CE1 TYR A 102 -7.659 2.332 4.101 1.00 30.12 C ATOM 1572 CE2 TYR A 102 -5.352 1.678 4.532 1.00 3.42 C ATOM 1573 CZ TYR A 102 -6.309 2.682 4.257 1.00 72.54 C ATOM 1574 OH TYR A 102 -5.966 3.983 4.083 1.00 61.31 O ATOM 0 H TYR A 102 -7.415 -3.020 6.518 1.00 2.33 H new ATOM 0 HA TYR A 102 -8.980 -0.757 6.055 1.00 64.14 H new ATOM 0 HB2 TYR A 102 -6.703 -2.058 4.905 1.00 11.14 H new ATOM 0 HB3 TYR A 102 -7.847 -1.802 3.602 1.00 11.14 H new ATOM 0 HD1 TYR A 102 -9.100 0.730 4.071 1.00 3.22 H new ATOM 0 HD2 TYR A 102 -5.027 -0.433 4.877 1.00 13.34 H new ATOM 0 HE1 TYR A 102 -8.392 3.099 3.899 1.00 30.12 H new ATOM 0 HE2 TYR A 102 -4.311 1.942 4.648 1.00 3.42 H new ATOM 0 HH TYR A 102 -4.991 4.058 4.012 1.00 61.31 H new ATOM 1584 N LEU A 103 -10.097 -3.527 4.640 1.00 50.25 N ATOM 1585 CA LEU A 103 -11.294 -4.122 4.066 1.00 3.01 C ATOM 1586 C LEU A 103 -12.484 -3.851 4.969 1.00 21.40 C ATOM 1587 O LEU A 103 -13.513 -3.427 4.454 1.00 73.33 O ATOM 1588 CB LEU A 103 -11.138 -5.636 3.872 1.00 1.43 C ATOM 1589 CG LEU A 103 -10.215 -6.028 2.704 1.00 70.23 C ATOM 1590 CD1 LEU A 103 -9.921 -7.527 2.757 1.00 21.41 C ATOM 1591 CD2 LEU A 103 -10.831 -5.686 1.353 1.00 62.12 C ATOM 0 H LEU A 103 -9.394 -4.211 4.919 1.00 50.25 H new ATOM 0 HA LEU A 103 -11.454 -3.669 3.087 1.00 3.01 H new ATOM 0 HB2 LEU A 103 -10.747 -6.071 4.792 1.00 1.43 H new ATOM 0 HB3 LEU A 103 -12.122 -6.074 3.706 1.00 1.43 H new ATOM 0 HG LEU A 103 -9.292 -5.458 2.810 1.00 70.23 H new ATOM 0 HD11 LEU A 103 -9.267 -7.799 1.928 1.00 21.41 H new ATOM 0 HD12 LEU A 103 -9.431 -7.769 3.700 1.00 21.41 H new ATOM 0 HD13 LEU A 103 -10.855 -8.084 2.681 1.00 21.41 H new ATOM 0 HD21 LEU A 103 -10.147 -5.979 0.557 1.00 62.12 H new ATOM 0 HD22 LEU A 103 -11.774 -6.221 1.237 1.00 62.12 H new ATOM 0 HD23 LEU A 103 -11.014 -4.613 1.298 1.00 62.12 H new ATOM 1603 N ALA A 104 -12.351 -4.077 6.278 1.00 11.43 N ATOM 1604 CA ALA A 104 -13.437 -3.903 7.230 1.00 2.41 C ATOM 1605 C ALA A 104 -13.987 -2.478 7.174 1.00 1.02 C ATOM 1606 O ALA A 104 -15.199 -2.312 7.060 1.00 52.25 O ATOM 1607 CB ALA A 104 -12.963 -4.269 8.635 1.00 24.12 C ATOM 0 H ALA A 104 -11.478 -4.388 6.705 1.00 11.43 H new ATOM 0 HA ALA A 104 -14.253 -4.574 6.962 1.00 2.41 H new ATOM 0 HB1 ALA A 104 -13.782 -4.136 9.342 1.00 24.12 H new ATOM 0 HB2 ALA A 104 -12.637 -5.309 8.650 1.00 24.12 H new ATOM 0 HB3 ALA A 104 -12.131 -3.624 8.918 1.00 24.12 H new ATOM 1613 N GLU A 105 -13.118 -1.465 7.171 1.00 42.22 N ATOM 1614 CA GLU A 105 -13.501 -0.069 6.970 1.00 32.23 C ATOM 1615 C GLU A 105 -14.250 0.095 5.636 1.00 42.32 C ATOM 1616 O GLU A 105 -15.360 0.617 5.601 1.00 30.33 O ATOM 1617 CB GLU A 105 -12.244 0.813 7.017 1.00 14.14 C ATOM 1618 CG GLU A 105 -12.052 1.575 8.335 1.00 35.31 C ATOM 1619 CD GLU A 105 -12.443 3.049 8.176 1.00 42.13 C ATOM 1620 OE1 GLU A 105 -13.636 3.342 7.944 1.00 4.23 O ATOM 1621 OE2 GLU A 105 -11.537 3.919 8.212 1.00 1.44 O ATOM 0 H GLU A 105 -12.116 -1.595 7.310 1.00 42.22 H new ATOM 0 HA GLU A 105 -14.177 0.244 7.766 1.00 32.23 H new ATOM 0 HB2 GLU A 105 -11.369 0.187 6.843 1.00 14.14 H new ATOM 0 HB3 GLU A 105 -12.289 1.532 6.199 1.00 14.14 H new ATOM 0 HG2 GLU A 105 -12.657 1.116 9.117 1.00 35.31 H new ATOM 0 HG3 GLU A 105 -11.012 1.503 8.654 1.00 35.31 H new ATOM 1628 N LEU A 106 -13.687 -0.386 4.519 1.00 33.44 N ATOM 1629 CA LEU A 106 -14.308 -0.314 3.185 1.00 4.12 C ATOM 1630 C LEU A 106 -15.557 -1.188 3.048 1.00 5.00 C ATOM 1631 O LEU A 106 -16.177 -1.190 1.989 1.00 24.40 O ATOM 1632 CB LEU A 106 -13.282 -0.728 2.102 1.00 64.25 C ATOM 1633 CG LEU A 106 -13.039 0.255 0.934 1.00 34.41 C ATOM 1634 CD1 LEU A 106 -14.260 1.073 0.535 1.00 41.13 C ATOM 1635 CD2 LEU A 106 -11.928 1.229 1.315 1.00 52.13 C ATOM 0 H LEU A 106 -12.775 -0.843 4.514 1.00 33.44 H new ATOM 0 HA LEU A 106 -14.621 0.721 3.049 1.00 4.12 H new ATOM 0 HB2 LEU A 106 -12.326 -0.907 2.595 1.00 64.25 H new ATOM 0 HB3 LEU A 106 -13.605 -1.679 1.679 1.00 64.25 H new ATOM 0 HG LEU A 106 -12.773 -0.366 0.079 1.00 34.41 H new ATOM 0 HD11 LEU A 106 -14.000 1.735 -0.291 1.00 41.13 H new ATOM 0 HD12 LEU A 106 -15.061 0.403 0.224 1.00 41.13 H new ATOM 0 HD13 LEU A 106 -14.594 1.667 1.386 1.00 41.13 H new ATOM 0 HD21 LEU A 106 -11.755 1.923 0.493 1.00 52.13 H new ATOM 0 HD22 LEU A 106 -12.222 1.786 2.205 1.00 52.13 H new ATOM 0 HD23 LEU A 106 -11.012 0.674 1.520 1.00 52.13 H new ATOM 1647 N ALA A 107 -15.915 -1.954 4.068 1.00 42.12 N ATOM 1648 CA ALA A 107 -17.170 -2.678 4.148 1.00 22.23 C ATOM 1649 C ALA A 107 -18.145 -1.931 5.068 1.00 70.53 C ATOM 1650 O ALA A 107 -19.339 -1.872 4.775 1.00 3.10 O ATOM 1651 CB ALA A 107 -16.886 -4.114 4.598 1.00 51.34 C ATOM 0 H ALA A 107 -15.321 -2.091 4.886 1.00 42.12 H new ATOM 0 HA ALA A 107 -17.653 -2.734 3.172 1.00 22.23 H new ATOM 0 HB1 ALA A 107 -17.823 -4.667 4.662 1.00 51.34 H new ATOM 0 HB2 ALA A 107 -16.227 -4.598 3.877 1.00 51.34 H new ATOM 0 HB3 ALA A 107 -16.406 -4.100 5.576 1.00 51.34 H new ATOM 1657 N SER A 108 -17.674 -1.315 6.150 1.00 41.44 N ATOM 1658 CA SER A 108 -18.510 -0.585 7.094 1.00 54.21 C ATOM 1659 C SER A 108 -18.968 0.756 6.508 1.00 44.31 C ATOM 1660 O SER A 108 -20.148 1.107 6.594 1.00 62.51 O ATOM 1661 CB SER A 108 -17.729 -0.392 8.398 1.00 24.42 C ATOM 1662 OG SER A 108 -18.627 -0.166 9.455 1.00 32.13 O ATOM 0 H SER A 108 -16.684 -1.310 6.397 1.00 41.44 H new ATOM 0 HA SER A 108 -19.413 -1.160 7.300 1.00 54.21 H new ATOM 0 HB2 SER A 108 -17.123 -1.274 8.605 1.00 24.42 H new ATOM 0 HB3 SER A 108 -17.044 0.451 8.303 1.00 24.42 H new ATOM 0 HG SER A 108 -18.127 -0.044 10.289 1.00 32.13 H new ATOM 1668 N ALA A 109 -18.049 1.483 5.867 1.00 23.11 N ATOM 1669 CA ALA A 109 -18.189 2.869 5.436 1.00 65.52 C ATOM 1670 C ALA A 109 -19.219 3.103 4.330 1.00 65.13 C ATOM 1671 O ALA A 109 -19.421 4.251 3.936 1.00 53.32 O ATOM 1672 CB ALA A 109 -16.820 3.347 4.943 1.00 31.43 C ATOM 0 H ALA A 109 -17.138 1.095 5.623 1.00 23.11 H new ATOM 0 HA ALA A 109 -18.553 3.427 6.298 1.00 65.52 H new ATOM 0 HB1 ALA A 109 -16.894 4.383 4.613 1.00 31.43 H new ATOM 0 HB2 ALA A 109 -16.096 3.275 5.754 1.00 31.43 H new ATOM 0 HB3 ALA A 109 -16.495 2.723 4.110 1.00 31.43 H new ATOM 1678 N GLY A 110 -19.809 2.057 3.750 1.00 21.54 N ATOM 1679 CA GLY A 110 -20.716 2.208 2.621 1.00 12.44 C ATOM 1680 C GLY A 110 -20.000 2.566 1.316 1.00 33.22 C ATOM 1681 O GLY A 110 -20.671 2.740 0.299 1.00 45.42 O ATOM 0 H GLY A 110 -19.671 1.092 4.049 1.00 21.54 H new ATOM 0 HA2 GLY A 110 -21.270 1.279 2.481 1.00 12.44 H new ATOM 0 HA3 GLY A 110 -21.447 2.983 2.851 1.00 12.44 H new ATOM 1685 N LYS A 111 -18.664 2.684 1.296 1.00 21.51 N ATOM 1686 CA LYS A 111 -17.924 2.927 0.058 1.00 22.34 C ATOM 1687 C LYS A 111 -17.490 1.580 -0.501 1.00 13.04 C ATOM 1688 O LYS A 111 -17.727 0.539 0.117 1.00 45.31 O ATOM 1689 CB LYS A 111 -16.693 3.805 0.309 1.00 44.30 C ATOM 1690 CG LYS A 111 -16.940 5.116 1.059 1.00 10.24 C ATOM 1691 CD LYS A 111 -17.751 6.111 0.225 1.00 12.14 C ATOM 1692 CE LYS A 111 -17.715 7.465 0.935 1.00 65.21 C ATOM 1693 NZ LYS A 111 -18.203 8.555 0.073 1.00 2.43 N ATOM 0 H LYS A 111 -18.077 2.614 2.127 1.00 21.51 H new ATOM 0 HA LYS A 111 -18.565 3.454 -0.649 1.00 22.34 H new ATOM 0 HB2 LYS A 111 -15.964 3.221 0.871 1.00 44.30 H new ATOM 0 HB3 LYS A 111 -16.239 4.041 -0.653 1.00 44.30 H new ATOM 0 HG2 LYS A 111 -17.469 4.907 1.989 1.00 10.24 H new ATOM 0 HG3 LYS A 111 -15.984 5.564 1.329 1.00 10.24 H new ATOM 0 HD2 LYS A 111 -17.334 6.196 -0.778 1.00 12.14 H new ATOM 0 HD3 LYS A 111 -18.779 5.766 0.114 1.00 12.14 H new ATOM 0 HE2 LYS A 111 -18.324 7.417 1.838 1.00 65.21 H new ATOM 0 HE3 LYS A 111 -16.694 7.682 1.250 1.00 65.21 H new ATOM 0 HZ1 LYS A 111 -18.371 9.405 0.649 1.00 2.43 H new ATOM 0 HZ2 LYS A 111 -17.492 8.766 -0.656 1.00 2.43 H new ATOM 0 HZ3 LYS A 111 -19.092 8.265 -0.383 1.00 2.43 H new ATOM 1707 N SER A 112 -16.781 1.591 -1.620 1.00 22.43 N ATOM 1708 CA SER A 112 -16.324 0.386 -2.277 1.00 12.12 C ATOM 1709 C SER A 112 -14.968 0.579 -2.921 1.00 44.01 C ATOM 1710 O SER A 112 -14.459 1.691 -3.078 1.00 52.42 O ATOM 1711 CB SER A 112 -17.400 -0.005 -3.258 1.00 25.21 C ATOM 1712 OG SER A 112 -18.469 -0.618 -2.560 1.00 62.51 O ATOM 0 H SER A 112 -16.506 2.449 -2.099 1.00 22.43 H new ATOM 0 HA SER A 112 -16.170 -0.421 -1.561 1.00 12.12 H new ATOM 0 HB2 SER A 112 -17.757 0.875 -3.794 1.00 25.21 H new ATOM 0 HB3 SER A 112 -16.997 -0.690 -4.004 1.00 25.21 H new ATOM 0 HG SER A 112 -19.171 -0.872 -3.195 1.00 62.51 H new ATOM 1718 N ARG A 113 -14.313 -0.544 -3.221 1.00 62.32 N ATOM 1719 CA ARG A 113 -13.095 -0.468 -4.000 1.00 41.22 C ATOM 1720 C ARG A 113 -13.418 -0.048 -5.422 1.00 53.43 C ATOM 1721 O ARG A 113 -12.581 0.647 -5.998 1.00 52.45 O ATOM 1722 CB ARG A 113 -12.349 -1.799 -4.028 1.00 14.00 C ATOM 1723 CG ARG A 113 -11.895 -2.296 -2.657 1.00 12.11 C ATOM 1724 CD ARG A 113 -10.864 -3.421 -2.857 1.00 65.23 C ATOM 1725 NE ARG A 113 -11.211 -4.603 -2.066 1.00 33.33 N ATOM 1726 CZ ARG A 113 -10.910 -5.871 -2.372 1.00 12.03 C ATOM 1727 NH1 ARG A 113 -9.960 -6.159 -3.257 1.00 23.40 N ATOM 1728 NH2 ARG A 113 -11.566 -6.840 -1.755 1.00 61.35 N ATOM 0 H ARG A 113 -14.599 -1.483 -2.944 1.00 62.32 H new ATOM 0 HA ARG A 113 -12.450 0.271 -3.524 1.00 41.22 H new ATOM 0 HB2 ARG A 113 -12.993 -2.553 -4.480 1.00 14.00 H new ATOM 0 HB3 ARG A 113 -11.476 -1.699 -4.672 1.00 14.00 H new ATOM 0 HG2 ARG A 113 -11.456 -1.479 -2.085 1.00 12.11 H new ATOM 0 HG3 ARG A 113 -12.748 -2.662 -2.086 1.00 12.11 H new ATOM 0 HD2 ARG A 113 -10.814 -3.688 -3.912 1.00 65.23 H new ATOM 0 HD3 ARG A 113 -9.874 -3.066 -2.570 1.00 65.23 H new ATOM 0 HE ARG A 113 -11.730 -4.446 -1.202 1.00 33.33 H new ATOM 0 HH11 ARG A 113 -9.446 -5.407 -3.716 1.00 23.40 H new ATOM 0 HH12 ARG A 113 -9.745 -7.132 -3.477 1.00 23.40 H new ATOM 0 HH21 ARG A 113 -12.282 -6.612 -1.065 1.00 61.35 H new ATOM 0 HH22 ARG A 113 -11.356 -7.815 -1.970 1.00 61.35 H new ATOM 1742 N ASP A 114 -14.542 -0.494 -5.993 1.00 34.01 N ATOM 1743 CA ASP A 114 -14.921 0.003 -7.320 1.00 1.50 C ATOM 1744 C ASP A 114 -15.427 1.436 -7.140 1.00 21.41 C ATOM 1745 O ASP A 114 -16.081 1.734 -6.132 1.00 3.23 O ATOM 1746 CB ASP A 114 -15.955 -0.884 -8.056 1.00 33.44 C ATOM 1747 CG ASP A 114 -15.568 -1.347 -9.470 1.00 25.31 C ATOM 1748 OD1 ASP A 114 -14.422 -1.133 -9.928 1.00 64.11 O ATOM 1749 OD2 ASP A 114 -16.456 -1.920 -10.147 1.00 53.44 O ATOM 0 H ASP A 114 -15.183 -1.171 -5.578 1.00 34.01 H new ATOM 0 HA ASP A 114 -14.045 -0.026 -7.968 1.00 1.50 H new ATOM 0 HB2 ASP A 114 -16.144 -1.767 -7.446 1.00 33.44 H new ATOM 0 HB3 ASP A 114 -16.894 -0.334 -8.121 1.00 33.44 H new ATOM 1754 N PRO A 115 -15.164 2.329 -8.104 1.00 30.41 N ATOM 1755 CA PRO A 115 -15.352 3.765 -7.931 1.00 71.42 C ATOM 1756 C PRO A 115 -16.821 4.177 -7.883 1.00 25.43 C ATOM 1757 O PRO A 115 -17.137 5.295 -7.475 1.00 11.33 O ATOM 1758 CB PRO A 115 -14.643 4.392 -9.130 1.00 73.01 C ATOM 1759 CG PRO A 115 -14.675 3.309 -10.204 1.00 22.25 C ATOM 1760 CD PRO A 115 -14.549 2.036 -9.388 1.00 31.03 C ATOM 0 HA PRO A 115 -14.947 4.098 -6.975 1.00 71.42 H new ATOM 0 HB2 PRO A 115 -15.152 5.296 -9.463 1.00 73.01 H new ATOM 0 HB3 PRO A 115 -13.620 4.675 -8.882 1.00 73.01 H new ATOM 0 HG2 PRO A 115 -15.601 3.333 -10.778 1.00 22.25 H new ATOM 0 HG3 PRO A 115 -13.856 3.418 -10.915 1.00 22.25 H new ATOM 0 HD2 PRO A 115 -15.051 1.203 -9.881 1.00 31.03 H new ATOM 0 HD3 PRO A 115 -13.504 1.751 -9.266 1.00 31.03 H new