USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1019 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 143 GLN : amide:sc= 0.139 X(o=-0.2,f=-0.18) USER MOD Set 1.2: A 144 ASN : amide:sc= -0.0718 X(o=-0.2,f=-0.18) USER MOD Set 1.3: A 146 GLN : amide:sc= -0.266 X(o=-0.2,f=-0.41) USER MOD Set 2.1: A 40 THR OG1 : rot -163:sc= 0.144 USER MOD Set 2.2: A 98 TYR OH : rot 30:sc= 0.05 USER MOD Set 3.1: A 66 LYS NZ :NH3+ -122:sc= 0.00521 (180deg=0) USER MOD Set 3.2: A 163 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.251 X(o=0.66,f=0.42) USER MOD Set 4.2: A 53 SER OG : rot 79:sc= 0.916 USER MOD Set 5.1: A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0212) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.0072) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -1.96 (180deg=-2.51!) USER MOD Single : A 19 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.00445 X(o=0.0044,f=0) USER MOD Single : A 32 THR OG1 : rot 45:sc= 0.885 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.991 (180deg=-1.91) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 0.393 (180deg=0.214) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -9:sc= 0.0178 USER MOD Single : A 79 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 MET CE :methyl -142:sc= -0.2 (180deg=-1.66!) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0347 F(o=-1.7!,f=-0.035) USER MOD Single : A 90 CYS SG : rot -4:sc= -1.43 USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.424) USER MOD Single : A 94 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.71) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -18:sc= 0.206 USER MOD Single : A 142 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.47) USER MOD Single : A 152 MET CE :methyl 175:sc= -0.0178 (180deg=-0.0411) USER MOD Single : A 154 MET CE :methyl 167:sc= -0.218 (180deg=-0.627) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot -110:sc= 0.0324 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.765 -4.557 -10.410 1.00 0.00 N ATOM 43 CA ILE A 5 22.125 -3.287 -9.693 1.00 0.00 C ATOM 44 C ILE A 5 23.152 -2.379 -10.468 1.00 0.00 C ATOM 45 O ILE A 5 22.982 -1.156 -10.482 1.00 0.00 O ATOM 46 CB ILE A 5 22.618 -3.611 -8.232 1.00 0.00 C ATOM 47 CG1 ILE A 5 21.668 -4.509 -7.379 1.00 0.00 C ATOM 48 CG2 ILE A 5 23.035 -2.369 -7.396 1.00 0.00 C ATOM 49 CD1 ILE A 5 20.308 -3.909 -6.996 1.00 0.00 C ATOM 0 HA ILE A 5 21.214 -2.691 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 5 23.511 -4.198 -8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.489 -5.433 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.190 -4.780 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 5 23.360 -2.689 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 5 23.853 -1.852 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 5 22.185 -1.694 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.745 -4.632 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 5 20.462 -3.003 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 5 19.750 -3.666 -7.900 1.00 0.00 H new ATOM 61 N ALA A 6 24.172 -2.975 -11.120 1.00 0.00 N ATOM 62 CA ALA A 6 25.081 -2.258 -12.051 1.00 0.00 C ATOM 63 C ALA A 6 24.442 -1.668 -13.348 1.00 0.00 C ATOM 64 O ALA A 6 24.875 -0.592 -13.768 1.00 0.00 O ATOM 65 CB ALA A 6 26.249 -3.198 -12.387 1.00 0.00 C ATOM 0 H ALA A 6 24.392 -3.966 -11.019 1.00 0.00 H new ATOM 0 HA ALA A 6 25.407 -1.362 -11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.934 -2.697 -13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.778 -3.462 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 6 25.864 -4.103 -12.858 1.00 0.00 H new ATOM 71 N ARG A 7 23.424 -2.320 -13.957 1.00 0.00 N ATOM 72 CA ARG A 7 22.591 -1.706 -15.037 1.00 0.00 C ATOM 73 C ARG A 7 21.589 -0.591 -14.559 1.00 0.00 C ATOM 74 O ARG A 7 21.327 0.346 -15.316 1.00 0.00 O ATOM 75 CB ARG A 7 21.961 -2.818 -15.941 1.00 0.00 C ATOM 76 CG ARG A 7 20.520 -3.296 -15.631 1.00 0.00 C ATOM 77 CD ARG A 7 20.080 -4.581 -16.369 1.00 0.00 C ATOM 78 NE ARG A 7 18.604 -4.757 -16.381 1.00 0.00 N ATOM 79 CZ ARG A 7 17.761 -4.153 -17.244 1.00 0.00 C ATOM 80 NH1 ARG A 7 18.148 -3.317 -18.206 1.00 0.00 N ATOM 81 NH2 ARG A 7 16.470 -4.401 -17.124 1.00 0.00 N ATOM 0 H ARG A 7 23.153 -3.275 -13.723 1.00 0.00 H new ATOM 0 HA ARG A 7 23.268 -1.128 -15.666 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.976 -2.457 -16.969 1.00 0.00 H new ATOM 0 HB3 ARG A 7 22.615 -3.689 -15.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 20.433 -3.465 -14.558 1.00 0.00 H new ATOM 0 HG3 ARG A 7 19.826 -2.495 -15.885 1.00 0.00 H new ATOM 0 HD2 ARG A 7 20.447 -4.550 -17.395 1.00 0.00 H new ATOM 0 HD3 ARG A 7 20.541 -5.446 -15.892 1.00 0.00 H new ATOM 0 HE ARG A 7 18.198 -5.382 -15.684 1.00 0.00 H new ATOM 0 HH11 ARG A 7 19.137 -3.099 -18.324 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.455 -2.895 -18.824 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.138 -5.033 -16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.805 -3.961 -17.760 1.00 0.00 H new ATOM 95 N LEU A 8 21.026 -0.694 -13.336 1.00 0.00 N ATOM 96 CA LEU A 8 20.033 0.271 -12.785 1.00 0.00 C ATOM 97 C LEU A 8 20.635 1.593 -12.224 1.00 0.00 C ATOM 98 O LEU A 8 20.003 2.637 -12.386 1.00 0.00 O ATOM 99 CB LEU A 8 19.173 -0.436 -11.704 1.00 0.00 C ATOM 100 CG LEU A 8 18.386 -1.693 -12.167 1.00 0.00 C ATOM 101 CD1 LEU A 8 17.934 -2.537 -10.979 1.00 0.00 C ATOM 102 CD2 LEU A 8 17.207 -1.395 -13.108 1.00 0.00 C ATOM 0 H LEU A 8 21.246 -1.454 -12.692 1.00 0.00 H new ATOM 0 HA LEU A 8 19.420 0.584 -13.630 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.827 -0.725 -10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.461 0.287 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 8 19.097 -2.268 -12.761 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.387 -3.408 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.806 -2.865 -10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.286 -1.942 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.715 -2.328 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.494 -0.743 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.575 -0.902 -14.008 1.00 0.00 H new ATOM 114 N ARG A 9 21.838 1.591 -11.609 1.00 0.00 N ATOM 115 CA ARG A 9 22.593 2.838 -11.294 1.00 0.00 C ATOM 116 C ARG A 9 22.883 3.788 -12.509 1.00 0.00 C ATOM 117 O ARG A 9 22.711 5.003 -12.385 1.00 0.00 O ATOM 118 CB ARG A 9 23.836 2.515 -10.426 1.00 0.00 C ATOM 119 CG ARG A 9 25.005 1.767 -11.105 1.00 0.00 C ATOM 120 CD ARG A 9 26.061 1.281 -10.098 1.00 0.00 C ATOM 121 NE ARG A 9 27.231 0.696 -10.798 1.00 0.00 N ATOM 122 CZ ARG A 9 28.069 -0.214 -10.263 1.00 0.00 C ATOM 123 NH1 ARG A 9 27.946 -0.709 -9.033 1.00 0.00 N ATOM 124 NH2 ARG A 9 29.074 -0.639 -11.005 1.00 0.00 N ATOM 0 H ARG A 9 22.315 0.738 -11.317 1.00 0.00 H new ATOM 0 HA ARG A 9 21.920 3.454 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.222 3.454 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.506 1.921 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.613 0.912 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.479 2.425 -11.833 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.385 2.114 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.621 0.538 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 9 27.414 1.005 -11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.181 -0.401 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.617 -1.397 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 9 29.197 -0.279 -11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.728 -1.327 -10.632 1.00 0.00 H new ATOM 138 N GLU A 10 23.250 3.220 -13.677 1.00 0.00 N ATOM 139 CA GLU A 10 23.266 3.937 -14.986 1.00 0.00 C ATOM 140 C GLU A 10 21.899 4.147 -15.730 1.00 0.00 C ATOM 141 O GLU A 10 21.908 4.762 -16.802 1.00 0.00 O ATOM 142 CB GLU A 10 24.324 3.248 -15.898 1.00 0.00 C ATOM 143 CG GLU A 10 24.054 1.766 -16.255 1.00 0.00 C ATOM 144 CD GLU A 10 25.060 1.169 -17.239 1.00 0.00 C ATOM 145 OE1 GLU A 10 24.924 1.402 -18.460 1.00 0.00 O ATOM 146 OE2 GLU A 10 25.990 0.458 -16.795 1.00 0.00 O ATOM 0 H GLU A 10 23.546 2.247 -13.747 1.00 0.00 H new ATOM 0 HA GLU A 10 23.530 4.967 -14.748 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.400 3.816 -16.825 1.00 0.00 H new ATOM 0 HB3 GLU A 10 25.294 3.311 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.063 1.175 -15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.053 1.682 -16.679 1.00 0.00 H new ATOM 153 N ASP A 11 20.743 3.702 -15.188 1.00 0.00 N ATOM 154 CA ASP A 11 19.395 4.022 -15.750 1.00 0.00 C ATOM 155 C ASP A 11 18.768 5.378 -15.277 1.00 0.00 C ATOM 156 O ASP A 11 17.602 5.628 -15.592 1.00 0.00 O ATOM 157 CB ASP A 11 18.511 2.764 -15.481 1.00 0.00 C ATOM 158 CG ASP A 11 17.184 2.689 -16.248 1.00 0.00 C ATOM 159 OD1 ASP A 11 17.208 2.489 -17.482 1.00 0.00 O ATOM 160 OD2 ASP A 11 16.112 2.828 -15.618 1.00 0.00 O ATOM 0 H ASP A 11 20.709 3.115 -14.355 1.00 0.00 H new ATOM 0 HA ASP A 11 19.477 4.217 -16.819 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.096 1.877 -15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.292 2.721 -14.414 1.00 0.00 H new ATOM 165 N GLY A 12 19.511 6.265 -14.580 1.00 0.00 N ATOM 166 CA GLY A 12 18.928 7.466 -13.933 1.00 0.00 C ATOM 167 C GLY A 12 18.610 7.292 -12.427 1.00 0.00 C ATOM 168 O GLY A 12 18.940 8.153 -11.608 1.00 0.00 O ATOM 0 H GLY A 12 20.518 6.173 -14.450 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.620 8.300 -14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.011 7.736 -14.456 1.00 0.00 H new ATOM 172 N ILE A 13 17.979 6.157 -12.090 1.00 0.00 N ATOM 173 CA ILE A 13 17.751 5.683 -10.695 1.00 0.00 C ATOM 174 C ILE A 13 19.075 5.228 -9.996 1.00 0.00 C ATOM 175 O ILE A 13 20.123 5.089 -10.635 1.00 0.00 O ATOM 176 CB ILE A 13 16.649 4.557 -10.734 1.00 0.00 C ATOM 177 CG1 ILE A 13 17.062 3.293 -11.565 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.275 5.129 -11.147 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.973 2.434 -12.218 1.00 0.00 C ATOM 0 H ILE A 13 17.599 5.519 -12.790 1.00 0.00 H new ATOM 0 HA ILE A 13 17.391 6.507 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 13 16.552 4.189 -9.713 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.734 3.626 -12.356 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.641 2.644 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.537 4.327 -11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.967 5.890 -10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.350 5.575 -12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.436 1.604 -12.752 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.307 2.044 -11.448 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.401 3.042 -12.919 1.00 0.00 H new ATOM 191 N GLN A 14 19.013 5.014 -8.669 1.00 0.00 N ATOM 192 CA GLN A 14 20.177 4.554 -7.868 1.00 0.00 C ATOM 193 C GLN A 14 19.647 3.574 -6.794 1.00 0.00 C ATOM 194 O GLN A 14 18.841 3.963 -5.948 1.00 0.00 O ATOM 195 CB GLN A 14 20.935 5.776 -7.272 1.00 0.00 C ATOM 196 CG GLN A 14 22.200 5.475 -6.435 1.00 0.00 C ATOM 197 CD GLN A 14 23.332 4.764 -7.198 1.00 0.00 C ATOM 198 OE1 GLN A 14 24.042 5.366 -8.001 1.00 0.00 O ATOM 199 NE2 GLN A 14 23.513 3.474 -6.966 1.00 0.00 N ATOM 0 H GLN A 14 18.165 5.152 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 14 20.907 4.027 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.221 6.432 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.239 6.334 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 14 22.585 6.413 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 14 21.915 4.859 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.916 2.988 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.249 2.966 -7.456 1.00 0.00 H new ATOM 208 N LYS A 15 20.108 2.310 -6.849 1.00 0.00 N ATOM 209 CA LYS A 15 19.612 1.206 -5.984 1.00 0.00 C ATOM 210 C LYS A 15 20.621 0.893 -4.841 1.00 0.00 C ATOM 211 O LYS A 15 21.827 0.759 -5.086 1.00 0.00 O ATOM 212 CB LYS A 15 19.374 -0.050 -6.882 1.00 0.00 C ATOM 213 CG LYS A 15 17.991 -0.199 -7.559 1.00 0.00 C ATOM 214 CD LYS A 15 17.470 1.012 -8.367 1.00 0.00 C ATOM 215 CE LYS A 15 16.011 0.910 -8.848 1.00 0.00 C ATOM 216 NZ LYS A 15 15.807 -0.013 -9.962 1.00 0.00 N ATOM 0 H LYS A 15 20.840 2.017 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 15 18.677 1.502 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.132 -0.051 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.545 -0.936 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.032 -1.059 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.259 -0.430 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.570 1.907 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.112 1.150 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.387 0.595 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.669 1.901 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.921 0.225 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.602 0.065 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.752 -0.987 -9.601 1.00 0.00 H new ATOM 230 N ARG A 16 20.109 0.743 -3.598 1.00 0.00 N ATOM 231 CA ARG A 16 20.944 0.428 -2.404 1.00 0.00 C ATOM 232 C ARG A 16 20.148 -0.509 -1.447 1.00 0.00 C ATOM 233 O ARG A 16 19.092 -0.127 -0.931 1.00 0.00 O ATOM 234 CB ARG A 16 21.375 1.754 -1.712 1.00 0.00 C ATOM 235 CG ARG A 16 22.360 1.588 -0.536 1.00 0.00 C ATOM 236 CD ARG A 16 22.754 2.933 0.100 1.00 0.00 C ATOM 237 NE ARG A 16 23.727 2.729 1.200 1.00 0.00 N ATOM 238 CZ ARG A 16 24.168 3.703 2.020 1.00 0.00 C ATOM 239 NH1 ARG A 16 23.764 4.971 1.956 1.00 0.00 N ATOM 240 NH2 ARG A 16 25.056 3.381 2.943 1.00 0.00 N ATOM 0 H ARG A 16 19.115 0.835 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 16 21.851 -0.100 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.831 2.404 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.482 2.263 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.909 0.949 0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.258 1.080 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.186 3.586 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.865 3.434 0.483 1.00 0.00 H new ATOM 0 HE ARG A 16 24.087 1.786 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.080 5.253 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.139 5.659 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.387 2.419 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.411 4.094 3.580 1.00 0.00 H new ATOM 254 N VAL A 17 20.695 -1.713 -1.182 1.00 0.00 N ATOM 255 CA VAL A 17 20.068 -2.730 -0.283 1.00 0.00 C ATOM 256 C VAL A 17 20.606 -2.621 1.174 1.00 0.00 C ATOM 257 O VAL A 17 21.807 -2.451 1.412 1.00 0.00 O ATOM 258 CB VAL A 17 20.187 -4.161 -0.919 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.615 -4.749 -0.958 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.259 -5.209 -0.263 1.00 0.00 C ATOM 0 H VAL A 17 21.583 -2.017 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 17 19.001 -2.526 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 17 19.870 -3.973 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.589 -5.738 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.262 -4.096 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 17 22.004 -4.829 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.395 -6.173 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.505 -5.302 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.221 -4.892 -0.367 1.00 0.00 H new ATOM 270 N ILE A 18 19.681 -2.785 2.137 1.00 0.00 N ATOM 271 CA ILE A 18 20.000 -2.884 3.585 1.00 0.00 C ATOM 272 C ILE A 18 20.335 -4.380 3.910 1.00 0.00 C ATOM 273 O ILE A 18 21.487 -4.678 4.237 1.00 0.00 O ATOM 274 CB ILE A 18 18.856 -2.270 4.466 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.356 -0.846 4.060 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.268 -2.211 5.962 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.832 -0.714 4.116 1.00 0.00 C ATOM 0 H ILE A 18 18.683 -2.854 1.938 1.00 0.00 H new ATOM 0 HA ILE A 18 20.878 -2.287 3.832 1.00 0.00 H new ATOM 0 HB ILE A 18 18.027 -2.956 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.805 -0.106 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.699 -0.620 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.455 -1.781 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.480 -3.218 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.159 -1.592 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.543 0.296 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.379 -1.433 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.487 -0.911 5.131 1.00 0.00 H new ATOM 289 N GLN A 19 19.339 -5.291 3.814 1.00 0.00 N ATOM 290 CA GLN A 19 19.514 -6.736 4.095 1.00 0.00 C ATOM 291 C GLN A 19 19.180 -7.517 2.801 1.00 0.00 C ATOM 292 O GLN A 19 18.017 -7.595 2.395 1.00 0.00 O ATOM 293 CB GLN A 19 18.599 -7.203 5.260 1.00 0.00 C ATOM 294 CG GLN A 19 18.907 -6.614 6.663 1.00 0.00 C ATOM 295 CD GLN A 19 17.792 -5.744 7.261 1.00 0.00 C ATOM 296 OE1 GLN A 19 17.337 -5.947 8.387 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.343 -4.753 6.512 1.00 0.00 N ATOM 0 H GLN A 19 18.388 -5.044 3.539 1.00 0.00 H new ATOM 0 HA GLN A 19 20.543 -6.925 4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.569 -6.955 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.658 -8.289 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.113 -7.436 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.817 -6.018 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.732 -4.600 5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.607 -4.141 6.864 1.00 0.00 H new ATOM 306 N GLU A 20 20.201 -8.147 2.190 1.00 0.00 N ATOM 307 CA GLU A 20 20.012 -9.132 1.091 1.00 0.00 C ATOM 308 C GLU A 20 19.275 -10.404 1.607 1.00 0.00 C ATOM 309 O GLU A 20 19.720 -11.050 2.562 1.00 0.00 O ATOM 310 CB GLU A 20 21.377 -9.508 0.462 1.00 0.00 C ATOM 311 CG GLU A 20 22.017 -8.383 -0.377 1.00 0.00 C ATOM 312 CD GLU A 20 23.350 -8.791 -1.007 1.00 0.00 C ATOM 313 OE1 GLU A 20 23.344 -9.370 -2.116 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.411 -8.533 -0.396 1.00 0.00 O ATOM 0 H GLU A 20 21.178 -7.993 2.438 1.00 0.00 H new ATOM 0 HA GLU A 20 19.392 -8.672 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.066 -9.789 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.244 -10.386 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.325 -8.086 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.173 -7.509 0.256 1.00 0.00 H new ATOM 321 N GLY A 21 18.124 -10.711 0.986 1.00 0.00 N ATOM 322 CA GLY A 21 17.164 -11.701 1.523 1.00 0.00 C ATOM 323 C GLY A 21 17.536 -13.188 1.358 1.00 0.00 C ATOM 324 O GLY A 21 18.709 -13.567 1.436 1.00 0.00 O ATOM 0 H GLY A 21 17.831 -10.287 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.028 -11.501 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.200 -11.536 1.041 1.00 0.00 H new ATOM 328 N ARG A 22 16.502 -14.028 1.197 1.00 0.00 N ATOM 329 CA ARG A 22 16.658 -15.507 1.136 1.00 0.00 C ATOM 330 C ARG A 22 15.799 -16.076 -0.033 1.00 0.00 C ATOM 331 O ARG A 22 14.644 -15.684 -0.238 1.00 0.00 O ATOM 332 CB ARG A 22 16.273 -16.180 2.490 1.00 0.00 C ATOM 333 CG ARG A 22 17.330 -16.128 3.627 1.00 0.00 C ATOM 334 CD ARG A 22 17.349 -14.883 4.542 1.00 0.00 C ATOM 335 NE ARG A 22 16.190 -14.828 5.473 1.00 0.00 N ATOM 336 CZ ARG A 22 15.305 -13.815 5.558 1.00 0.00 C ATOM 337 NH1 ARG A 22 15.323 -12.738 4.780 1.00 0.00 N ATOM 338 NH2 ARG A 22 14.360 -13.897 6.476 1.00 0.00 N ATOM 0 H ARG A 22 15.536 -13.713 1.105 1.00 0.00 H new ATOM 0 HA ARG A 22 17.708 -15.736 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.359 -15.710 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.037 -17.226 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.185 -17.005 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.316 -16.223 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.273 -14.878 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.355 -13.985 3.924 1.00 0.00 H new ATOM 0 HE ARG A 22 16.054 -15.622 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.040 -12.640 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.620 -12.009 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.317 -14.709 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.673 -13.149 6.569 1.00 0.00 H new ATOM 393 N PRO A 26 12.114 -14.579 -8.637 1.00 0.00 N ATOM 394 CA PRO A 26 11.122 -14.964 -9.689 1.00 0.00 C ATOM 395 C PRO A 26 11.189 -14.118 -11.009 1.00 0.00 C ATOM 396 O PRO A 26 12.200 -13.469 -11.295 1.00 0.00 O ATOM 397 CB PRO A 26 9.797 -14.901 -8.892 1.00 0.00 C ATOM 398 CG PRO A 26 10.014 -13.860 -7.803 1.00 0.00 C ATOM 399 CD PRO A 26 11.481 -14.021 -7.424 1.00 0.00 C ATOM 0 HA PRO A 26 11.298 -15.945 -10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.965 -14.622 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.554 -15.872 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.804 -12.854 -8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.360 -14.034 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.927 -13.066 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.600 -14.688 -6.571 1.00 0.00 H new ATOM 407 N ASP A 27 10.134 -14.185 -11.849 1.00 0.00 N ATOM 408 CA ASP A 27 10.143 -13.623 -13.234 1.00 0.00 C ATOM 409 C ASP A 27 10.330 -12.077 -13.315 1.00 0.00 C ATOM 410 O ASP A 27 11.310 -11.626 -13.914 1.00 0.00 O ATOM 411 CB ASP A 27 8.885 -14.079 -14.034 1.00 0.00 C ATOM 412 CG ASP A 27 8.816 -15.577 -14.365 1.00 0.00 C ATOM 413 OD1 ASP A 27 9.468 -16.010 -15.339 1.00 0.00 O ATOM 414 OD2 ASP A 27 8.106 -16.321 -13.653 1.00 0.00 O ATOM 0 H ASP A 27 9.250 -14.627 -11.596 1.00 0.00 H new ATOM 0 HA ASP A 27 11.036 -14.039 -13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.996 -13.810 -13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.847 -13.517 -14.967 1.00 0.00 H new ATOM 419 N PHE A 28 9.401 -11.280 -12.743 1.00 0.00 N ATOM 420 CA PHE A 28 9.399 -9.787 -12.830 1.00 0.00 C ATOM 421 C PHE A 28 9.419 -9.192 -14.279 1.00 0.00 C ATOM 422 O PHE A 28 10.232 -8.315 -14.595 1.00 0.00 O ATOM 423 CB PHE A 28 10.485 -9.146 -11.920 1.00 0.00 C ATOM 424 CG PHE A 28 10.388 -9.390 -10.410 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.474 -8.665 -9.639 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.301 -10.237 -9.777 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.464 -8.799 -8.255 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.303 -10.353 -8.391 1.00 0.00 C ATOM 429 CZ PHE A 28 10.380 -9.640 -7.632 1.00 0.00 C ATOM 0 H PHE A 28 8.620 -11.650 -12.201 1.00 0.00 H new ATOM 0 HA PHE A 28 8.420 -9.504 -12.443 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.458 -9.506 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.469 -8.069 -12.087 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.773 -7.999 -10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.007 -10.803 -10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.745 -8.250 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.021 -10.996 -7.904 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.375 -9.740 -6.557 1.00 0.00 H new ATOM 439 N GLN A 29 8.507 -9.659 -15.154 1.00 0.00 N ATOM 440 CA GLN A 29 8.413 -9.178 -16.557 1.00 0.00 C ATOM 441 C GLN A 29 7.018 -9.539 -17.135 1.00 0.00 C ATOM 442 O GLN A 29 6.784 -10.668 -17.579 1.00 0.00 O ATOM 443 CB GLN A 29 9.604 -9.656 -17.446 1.00 0.00 C ATOM 444 CG GLN A 29 9.834 -11.186 -17.565 1.00 0.00 C ATOM 445 CD GLN A 29 11.231 -11.550 -18.081 1.00 0.00 C ATOM 446 OE1 GLN A 29 11.482 -11.592 -19.285 1.00 0.00 O ATOM 447 NE2 GLN A 29 12.164 -11.817 -17.181 1.00 0.00 N ATOM 0 H GLN A 29 7.819 -10.373 -14.917 1.00 0.00 H new ATOM 0 HA GLN A 29 8.504 -8.092 -16.560 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.456 -9.258 -18.450 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.517 -9.207 -17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.683 -11.646 -16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.085 -11.608 -18.235 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.940 -11.778 -16.187 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.107 -12.062 -17.482 1.00 0.00 H new ATOM 456 N ASP A 30 6.085 -8.565 -17.097 1.00 0.00 N ATOM 457 CA ASP A 30 4.655 -8.732 -17.516 1.00 0.00 C ATOM 458 C ASP A 30 3.929 -9.998 -16.949 1.00 0.00 C ATOM 459 O ASP A 30 3.484 -10.877 -17.694 1.00 0.00 O ATOM 460 CB ASP A 30 4.457 -8.543 -19.048 1.00 0.00 C ATOM 461 CG ASP A 30 4.811 -7.156 -19.604 1.00 0.00 C ATOM 462 OD1 ASP A 30 3.953 -6.247 -19.554 1.00 0.00 O ATOM 463 OD2 ASP A 30 5.949 -6.971 -20.091 1.00 0.00 O ATOM 0 H ASP A 30 6.295 -7.622 -16.771 1.00 0.00 H new ATOM 0 HA ASP A 30 4.136 -7.908 -17.026 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.062 -9.286 -19.567 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.415 -8.755 -19.289 1.00 0.00 H new ATOM 468 N GLY A 31 3.842 -10.064 -15.612 1.00 0.00 N ATOM 469 CA GLY A 31 3.161 -11.152 -14.890 1.00 0.00 C ATOM 470 C GLY A 31 4.024 -11.621 -13.715 1.00 0.00 C ATOM 471 O GLY A 31 4.843 -12.523 -13.896 1.00 0.00 O ATOM 0 H GLY A 31 4.245 -9.359 -14.995 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.193 -10.808 -14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.970 -11.985 -15.567 1.00 0.00 H new ATOM 475 N THR A 32 3.826 -11.017 -12.530 1.00 0.00 N ATOM 476 CA THR A 32 4.364 -11.505 -11.236 1.00 0.00 C ATOM 477 C THR A 32 3.544 -10.739 -10.147 1.00 0.00 C ATOM 478 O THR A 32 3.400 -9.514 -10.191 1.00 0.00 O ATOM 479 CB THR A 32 5.920 -11.345 -11.154 1.00 0.00 C ATOM 480 OG1 THR A 32 6.536 -12.518 -11.674 1.00 0.00 O ATOM 481 CG2 THR A 32 6.527 -11.110 -9.766 1.00 0.00 C ATOM 0 H THR A 32 3.279 -10.161 -12.437 1.00 0.00 H new ATOM 0 HA THR A 32 4.240 -12.578 -11.092 1.00 0.00 H new ATOM 0 HB THR A 32 6.113 -10.438 -11.726 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.094 -12.777 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.610 -11.017 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.117 -10.194 -9.340 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.286 -11.952 -9.116 1.00 0.00 H new ATOM 489 N LYS A 33 3.048 -11.463 -9.130 1.00 0.00 N ATOM 490 CA LYS A 33 2.380 -10.849 -7.951 1.00 0.00 C ATOM 491 C LYS A 33 3.426 -10.611 -6.829 1.00 0.00 C ATOM 492 O LYS A 33 3.774 -11.535 -6.092 1.00 0.00 O ATOM 493 CB LYS A 33 1.231 -11.808 -7.541 1.00 0.00 C ATOM 494 CG LYS A 33 0.479 -11.554 -6.212 1.00 0.00 C ATOM 495 CD LYS A 33 -0.603 -10.452 -6.197 1.00 0.00 C ATOM 496 CE LYS A 33 -0.126 -8.988 -6.226 1.00 0.00 C ATOM 497 NZ LYS A 33 0.774 -8.646 -5.110 1.00 0.00 N ATOM 0 H LYS A 33 3.094 -12.481 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 33 1.953 -9.870 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.493 -11.799 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.643 -12.816 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.009 -12.489 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.219 -11.308 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.256 -10.610 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.212 -10.590 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.387 -8.799 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.994 -8.330 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.005 -7.633 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.305 -8.861 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.649 -9.203 -5.186 1.00 0.00 H new ATOM 511 N ALA A 34 3.884 -9.356 -6.697 1.00 0.00 N ATOM 512 CA ALA A 34 4.864 -8.949 -5.659 1.00 0.00 C ATOM 513 C ALA A 34 4.158 -8.226 -4.484 1.00 0.00 C ATOM 514 O ALA A 34 3.647 -7.111 -4.625 1.00 0.00 O ATOM 515 CB ALA A 34 5.943 -8.081 -6.332 1.00 0.00 C ATOM 0 H ALA A 34 3.590 -8.590 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 34 5.344 -9.824 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.676 -7.769 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.440 -8.658 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.478 -7.200 -6.774 1.00 0.00 H new ATOM 521 N THR A 35 4.156 -8.900 -3.322 1.00 0.00 N ATOM 522 CA THR A 35 3.574 -8.386 -2.053 1.00 0.00 C ATOM 523 C THR A 35 4.750 -7.900 -1.157 1.00 0.00 C ATOM 524 O THR A 35 5.685 -8.648 -0.852 1.00 0.00 O ATOM 525 CB THR A 35 2.737 -9.511 -1.375 1.00 0.00 C ATOM 526 OG1 THR A 35 1.680 -9.926 -2.236 1.00 0.00 O ATOM 527 CG2 THR A 35 2.098 -9.096 -0.041 1.00 0.00 C ATOM 0 H THR A 35 4.562 -9.831 -3.227 1.00 0.00 H new ATOM 0 HA THR A 35 2.899 -7.549 -2.228 1.00 0.00 H new ATOM 0 HB THR A 35 3.447 -10.314 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.162 -10.634 -1.800 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.532 -9.933 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.879 -8.808 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.428 -8.252 -0.205 1.00 0.00 H new ATOM 535 N PHE A 36 4.680 -6.627 -0.749 1.00 0.00 N ATOM 536 CA PHE A 36 5.790 -5.942 -0.031 1.00 0.00 C ATOM 537 C PHE A 36 5.254 -4.711 0.757 1.00 0.00 C ATOM 538 O PHE A 36 4.140 -4.236 0.536 1.00 0.00 O ATOM 539 CB PHE A 36 6.972 -5.593 -0.994 1.00 0.00 C ATOM 540 CG PHE A 36 6.693 -4.785 -2.264 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.317 -5.451 -3.433 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.831 -3.396 -2.280 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.059 -4.732 -4.592 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.554 -2.678 -3.436 1.00 0.00 C ATOM 545 CZ PHE A 36 6.175 -3.345 -4.591 1.00 0.00 C ATOM 0 H PHE A 36 3.863 -6.036 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 36 6.205 -6.631 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.715 -5.045 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.434 -6.532 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.227 -6.527 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.155 -2.878 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.768 -5.249 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.634 -1.601 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.969 -2.787 -5.492 1.00 0.00 H new ATOM 555 N HIS A 37 6.076 -4.171 1.670 1.00 0.00 N ATOM 556 CA HIS A 37 5.833 -2.842 2.296 1.00 0.00 C ATOM 557 C HIS A 37 6.504 -1.682 1.508 1.00 0.00 C ATOM 558 O HIS A 37 7.393 -1.893 0.685 1.00 0.00 O ATOM 559 CB HIS A 37 6.375 -2.882 3.748 1.00 0.00 C ATOM 560 CG HIS A 37 5.481 -3.602 4.749 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.324 -3.048 5.237 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.748 -4.809 5.418 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.998 -3.975 6.174 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.774 -5.086 6.365 1.00 0.00 N ATOM 0 H HIS A 37 6.924 -4.631 2.000 1.00 0.00 H new ATOM 0 HA HIS A 37 4.761 -2.647 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.352 -3.366 3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.528 -1.859 4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.602 -5.440 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.113 -3.834 6.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.669 -5.873 7.005 1.00 0.00 H new ATOM 572 N TYR A 38 6.061 -0.444 1.786 1.00 0.00 N ATOM 573 CA TYR A 38 6.570 0.789 1.125 1.00 0.00 C ATOM 574 C TYR A 38 6.534 1.979 2.127 1.00 0.00 C ATOM 575 O TYR A 38 5.599 2.113 2.924 1.00 0.00 O ATOM 576 CB TYR A 38 5.756 1.068 -0.186 1.00 0.00 C ATOM 577 CG TYR A 38 4.418 1.851 -0.112 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.287 1.294 0.487 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.323 3.128 -0.678 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.070 1.969 0.476 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.111 3.815 -0.677 1.00 0.00 C ATOM 582 CZ TYR A 38 1.982 3.228 -0.113 1.00 0.00 C ATOM 583 OH TYR A 38 0.771 3.866 -0.165 1.00 0.00 O ATOM 0 H TYR A 38 5.335 -0.260 2.479 1.00 0.00 H new ATOM 0 HA TYR A 38 7.610 0.654 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.412 1.610 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.543 0.104 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.357 0.328 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.197 3.584 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.196 1.518 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.048 4.801 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 38 0.878 4.735 -0.606 1.00 0.00 H new ATOM 593 N ARG A 39 7.525 2.879 2.031 1.00 0.00 N ATOM 594 CA ARG A 39 7.560 4.118 2.851 1.00 0.00 C ATOM 595 C ARG A 39 8.200 5.225 1.988 1.00 0.00 C ATOM 596 O ARG A 39 9.427 5.347 1.899 1.00 0.00 O ATOM 597 CB ARG A 39 8.312 3.873 4.184 1.00 0.00 C ATOM 598 CG ARG A 39 7.931 4.806 5.360 1.00 0.00 C ATOM 599 CD ARG A 39 8.912 5.967 5.632 1.00 0.00 C ATOM 600 NE ARG A 39 10.268 5.522 6.053 1.00 0.00 N ATOM 601 CZ ARG A 39 10.647 5.290 7.326 1.00 0.00 C ATOM 602 NH1 ARG A 39 9.851 5.447 8.381 1.00 0.00 N ATOM 603 NH2 ARG A 39 11.884 4.878 7.538 1.00 0.00 N ATOM 0 H ARG A 39 8.317 2.779 1.396 1.00 0.00 H new ATOM 0 HA ARG A 39 6.557 4.432 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.137 2.842 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.381 3.973 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.944 5.226 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.847 4.205 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.002 6.573 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.494 6.609 6.407 1.00 0.00 H new ATOM 0 HE ARG A 39 10.965 5.382 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.889 5.761 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.203 5.253 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.519 4.745 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.204 4.693 8.489 1.00 0.00 H new ATOM 617 N THR A 40 7.340 6.031 1.348 1.00 0.00 N ATOM 618 CA THR A 40 7.777 7.136 0.466 1.00 0.00 C ATOM 619 C THR A 40 7.957 8.414 1.314 1.00 0.00 C ATOM 620 O THR A 40 7.017 8.887 1.959 1.00 0.00 O ATOM 621 CB THR A 40 6.807 7.347 -0.725 1.00 0.00 C ATOM 622 OG1 THR A 40 5.467 7.550 -0.300 1.00 0.00 O ATOM 623 CG2 THR A 40 6.844 6.166 -1.692 1.00 0.00 C ATOM 0 H THR A 40 6.327 5.941 1.423 1.00 0.00 H new ATOM 0 HA THR A 40 8.736 6.877 0.017 1.00 0.00 H new ATOM 0 HB THR A 40 7.152 8.247 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.859 7.408 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.152 6.347 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.854 6.050 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.553 5.256 -1.167 1.00 0.00 H new ATOM 631 N LEU A 41 9.184 8.948 1.310 1.00 0.00 N ATOM 632 CA LEU A 41 9.523 10.205 2.009 1.00 0.00 C ATOM 633 C LEU A 41 10.419 11.093 1.104 1.00 0.00 C ATOM 634 O LEU A 41 11.158 10.614 0.241 1.00 0.00 O ATOM 635 CB LEU A 41 10.098 9.890 3.419 1.00 0.00 C ATOM 636 CG LEU A 41 11.570 9.393 3.551 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.169 9.838 4.898 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.706 7.869 3.385 1.00 0.00 C ATOM 0 H LEU A 41 9.974 8.525 0.823 1.00 0.00 H new ATOM 0 HA LEU A 41 8.631 10.803 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.003 10.794 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.456 9.135 3.873 1.00 0.00 H new ATOM 0 HG LEU A 41 12.129 9.851 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.197 9.483 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.155 10.926 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.579 9.420 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.753 7.584 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.116 7.366 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.345 7.577 2.399 1.00 0.00 H new ATOM 650 N HIS A 42 10.372 12.411 1.343 1.00 0.00 N ATOM 651 CA HIS A 42 11.168 13.407 0.580 1.00 0.00 C ATOM 652 C HIS A 42 12.672 13.333 0.964 1.00 0.00 C ATOM 653 O HIS A 42 13.029 13.224 2.142 1.00 0.00 O ATOM 654 CB HIS A 42 10.580 14.822 0.822 1.00 0.00 C ATOM 655 CG HIS A 42 9.259 15.081 0.092 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.003 14.719 0.545 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.161 15.627 -1.190 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.245 15.109 -0.522 1.00 0.00 C ATOM 659 NE2 HIS A 42 7.842 15.665 -1.624 1.00 0.00 N ATOM 0 H HIS A 42 9.785 12.825 2.067 1.00 0.00 H new ATOM 0 HA HIS A 42 11.106 13.181 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.425 14.962 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.310 15.567 0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.003 15.975 -1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.173 14.979 -0.498 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.439 16.004 -2.498 1.00 0.00 H new ATOM 667 N SER A 43 13.536 13.356 -0.068 1.00 0.00 N ATOM 668 CA SER A 43 14.984 13.047 0.079 1.00 0.00 C ATOM 669 C SER A 43 15.771 14.139 0.866 1.00 0.00 C ATOM 670 O SER A 43 16.215 13.869 1.986 1.00 0.00 O ATOM 671 CB SER A 43 15.567 12.713 -1.317 1.00 0.00 C ATOM 672 OG SER A 43 16.899 12.227 -1.208 1.00 0.00 O ATOM 0 H SER A 43 13.260 13.586 -1.023 1.00 0.00 H new ATOM 0 HA SER A 43 15.101 12.166 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.942 11.966 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.551 13.604 -1.945 1.00 0.00 H new ATOM 0 HG SER A 43 17.301 12.172 -2.100 1.00 0.00 H new ATOM 678 N ASP A 44 15.910 15.352 0.298 1.00 0.00 N ATOM 679 CA ASP A 44 16.489 16.537 1.002 1.00 0.00 C ATOM 680 C ASP A 44 15.691 17.876 0.806 1.00 0.00 C ATOM 681 O ASP A 44 16.023 18.864 1.468 1.00 0.00 O ATOM 682 CB ASP A 44 17.985 16.656 0.584 1.00 0.00 C ATOM 683 CG ASP A 44 18.850 17.563 1.473 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.251 17.124 2.574 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.129 18.715 1.073 1.00 0.00 O ATOM 0 H ASP A 44 15.627 15.549 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 44 16.408 16.368 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.423 15.658 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.030 17.030 -0.439 1.00 0.00 H new ATOM 690 N ASP A 45 14.647 17.926 -0.047 1.00 0.00 N ATOM 691 CA ASP A 45 13.836 19.148 -0.305 1.00 0.00 C ATOM 692 C ASP A 45 12.935 19.565 0.897 1.00 0.00 C ATOM 693 O ASP A 45 13.062 20.696 1.374 1.00 0.00 O ATOM 694 CB ASP A 45 12.997 18.946 -1.593 1.00 0.00 C ATOM 695 CG ASP A 45 13.796 18.919 -2.907 1.00 0.00 C ATOM 696 OD1 ASP A 45 14.323 17.844 -3.270 1.00 0.00 O ATOM 697 OD2 ASP A 45 13.893 19.968 -3.580 1.00 0.00 O ATOM 0 H ASP A 45 14.336 17.116 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 45 14.532 19.976 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.446 18.010 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.259 19.745 -1.654 1.00 0.00 H new ATOM 702 N GLU A 46 12.044 18.671 1.372 1.00 0.00 N ATOM 703 CA GLU A 46 11.249 18.885 2.609 1.00 0.00 C ATOM 704 C GLU A 46 11.813 18.042 3.796 1.00 0.00 C ATOM 705 O GLU A 46 11.773 18.510 4.938 1.00 0.00 O ATOM 706 CB GLU A 46 9.762 18.529 2.336 1.00 0.00 C ATOM 707 CG GLU A 46 9.013 19.473 1.366 1.00 0.00 C ATOM 708 CD GLU A 46 7.575 19.023 1.088 1.00 0.00 C ATOM 709 OE1 GLU A 46 6.690 19.258 1.942 1.00 0.00 O ATOM 710 OE2 GLU A 46 7.321 18.438 0.014 1.00 0.00 O ATOM 0 H GLU A 46 11.852 17.780 0.913 1.00 0.00 H new ATOM 0 HA GLU A 46 11.319 19.935 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.718 17.516 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.230 18.519 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.999 20.479 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.560 19.527 0.425 1.00 0.00 H new ATOM 717 N GLY A 47 12.270 16.795 3.543 1.00 0.00 N ATOM 718 CA GLY A 47 12.488 15.780 4.596 1.00 0.00 C ATOM 719 C GLY A 47 11.240 15.061 5.181 1.00 0.00 C ATOM 720 O GLY A 47 11.389 14.317 6.155 1.00 0.00 O ATOM 0 H GLY A 47 12.497 16.465 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.155 15.018 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.014 16.261 5.421 1.00 0.00 H new ATOM 724 N THR A 48 10.036 15.282 4.615 1.00 0.00 N ATOM 725 CA THR A 48 8.751 14.793 5.183 1.00 0.00 C ATOM 726 C THR A 48 8.358 13.410 4.603 1.00 0.00 C ATOM 727 O THR A 48 8.516 13.156 3.408 1.00 0.00 O ATOM 728 CB THR A 48 7.647 15.872 4.960 1.00 0.00 C ATOM 729 OG1 THR A 48 6.513 15.573 5.766 1.00 0.00 O ATOM 730 CG2 THR A 48 7.162 16.057 3.509 1.00 0.00 C ATOM 0 H THR A 48 9.921 15.806 3.748 1.00 0.00 H new ATOM 0 HA THR A 48 8.867 14.640 6.256 1.00 0.00 H new ATOM 0 HB THR A 48 8.131 16.808 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.822 16.254 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.396 16.832 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.002 16.351 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.745 15.119 3.143 1.00 0.00 H new ATOM 738 N VAL A 49 7.749 12.564 5.447 1.00 0.00 N ATOM 739 CA VAL A 49 7.126 11.291 4.998 1.00 0.00 C ATOM 740 C VAL A 49 5.707 11.604 4.453 1.00 0.00 C ATOM 741 O VAL A 49 4.807 12.028 5.187 1.00 0.00 O ATOM 742 CB VAL A 49 7.233 10.148 6.056 1.00 0.00 C ATOM 743 CG1 VAL A 49 6.718 10.518 7.464 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.577 8.829 5.595 1.00 0.00 C ATOM 0 H VAL A 49 7.670 12.732 6.450 1.00 0.00 H new ATOM 0 HA VAL A 49 7.689 10.861 4.169 1.00 0.00 H new ATOM 0 HB VAL A 49 8.309 9.995 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.833 9.663 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.292 11.359 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.665 10.794 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.686 8.076 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.518 8.998 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.063 8.480 4.684 1.00 0.00 H new ATOM 754 N LEU A 50 5.561 11.383 3.139 1.00 0.00 N ATOM 755 CA LEU A 50 4.270 11.516 2.430 1.00 0.00 C ATOM 756 C LEU A 50 3.344 10.263 2.534 1.00 0.00 C ATOM 757 O LEU A 50 2.122 10.426 2.567 1.00 0.00 O ATOM 758 CB LEU A 50 4.545 11.970 0.966 1.00 0.00 C ATOM 759 CG LEU A 50 5.124 10.921 -0.028 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.084 10.518 -1.081 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.431 11.374 -0.700 1.00 0.00 C ATOM 0 H LEU A 50 6.333 11.106 2.532 1.00 0.00 H new ATOM 0 HA LEU A 50 3.685 12.285 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.609 12.342 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.235 12.813 1.002 1.00 0.00 H new ATOM 0 HG LEU A 50 5.372 10.046 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.519 9.785 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.215 10.084 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.778 11.399 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.779 10.596 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.253 12.292 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.188 11.555 0.063 1.00 0.00 H new ATOM 773 N ASP A 51 3.923 9.040 2.556 1.00 0.00 N ATOM 774 CA ASP A 51 3.165 7.771 2.631 1.00 0.00 C ATOM 775 C ASP A 51 3.997 6.717 3.422 1.00 0.00 C ATOM 776 O ASP A 51 5.232 6.707 3.386 1.00 0.00 O ATOM 777 CB ASP A 51 2.765 7.272 1.209 1.00 0.00 C ATOM 778 CG ASP A 51 1.322 6.759 1.105 1.00 0.00 C ATOM 779 OD1 ASP A 51 0.926 5.880 1.902 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.578 7.232 0.217 1.00 0.00 O ATOM 0 H ASP A 51 4.934 8.906 2.522 1.00 0.00 H new ATOM 0 HA ASP A 51 2.231 7.935 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.901 8.087 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.445 6.474 0.912 1.00 0.00 H new ATOM 785 N ASP A 52 3.301 5.837 4.162 1.00 0.00 N ATOM 786 CA ASP A 52 3.933 4.922 5.150 1.00 0.00 C ATOM 787 C ASP A 52 3.000 3.709 5.415 1.00 0.00 C ATOM 788 O ASP A 52 1.868 3.877 5.880 1.00 0.00 O ATOM 789 CB ASP A 52 4.346 5.668 6.453 1.00 0.00 C ATOM 790 CG ASP A 52 3.276 6.491 7.201 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.472 5.908 7.963 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.237 7.728 7.019 1.00 0.00 O ATOM 0 H ASP A 52 2.288 5.734 4.099 1.00 0.00 H new ATOM 0 HA ASP A 52 4.863 4.539 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.740 4.927 7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.167 6.340 6.204 1.00 0.00 H new ATOM 797 N SER A 53 3.500 2.492 5.119 1.00 0.00 N ATOM 798 CA SER A 53 2.721 1.228 5.273 1.00 0.00 C ATOM 799 C SER A 53 3.210 0.305 6.418 1.00 0.00 C ATOM 800 O SER A 53 2.404 -0.103 7.256 1.00 0.00 O ATOM 801 CB SER A 53 2.624 0.488 3.931 1.00 0.00 C ATOM 802 OG SER A 53 3.829 -0.158 3.560 1.00 0.00 O ATOM 0 H SER A 53 4.447 2.349 4.768 1.00 0.00 H new ATOM 0 HA SER A 53 1.719 1.527 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.826 -0.252 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.345 1.197 3.152 1.00 0.00 H new ATOM 0 HG SER A 53 3.919 -0.995 4.061 1.00 0.00 H new ATOM 808 N ARG A 54 4.519 -0.012 6.459 1.00 0.00 N ATOM 809 CA ARG A 54 5.181 -0.659 7.621 1.00 0.00 C ATOM 810 C ARG A 54 5.193 0.147 8.956 1.00 0.00 C ATOM 811 O ARG A 54 5.338 -0.458 10.021 1.00 0.00 O ATOM 812 CB ARG A 54 6.628 -1.101 7.243 1.00 0.00 C ATOM 813 CG ARG A 54 7.565 -0.101 6.503 1.00 0.00 C ATOM 814 CD ARG A 54 8.104 1.100 7.301 1.00 0.00 C ATOM 815 NE ARG A 54 8.966 0.698 8.443 1.00 0.00 N ATOM 816 CZ ARG A 54 9.101 1.393 9.588 1.00 0.00 C ATOM 817 NH1 ARG A 54 8.488 2.546 9.843 1.00 0.00 N ATOM 818 NH2 ARG A 54 9.894 0.897 10.519 1.00 0.00 N ATOM 0 H ARG A 54 5.156 0.173 5.684 1.00 0.00 H new ATOM 0 HA ARG A 54 4.550 -1.521 7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.130 -1.399 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.546 -1.993 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.419 -0.661 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.026 0.286 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.673 1.747 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.265 1.687 7.675 1.00 0.00 H new ATOM 0 HE ARG A 54 9.495 -0.169 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.868 2.959 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.638 3.017 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.380 0.015 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.021 1.396 11.400 1.00 0.00 H new ATOM 832 N ALA A 55 4.995 1.482 8.898 1.00 0.00 N ATOM 833 CA ALA A 55 4.634 2.300 10.084 1.00 0.00 C ATOM 834 C ALA A 55 3.360 1.839 10.861 1.00 0.00 C ATOM 835 O ALA A 55 3.349 1.778 12.093 1.00 0.00 O ATOM 836 CB ALA A 55 4.443 3.754 9.616 1.00 0.00 C ATOM 0 H ALA A 55 5.079 2.022 8.037 1.00 0.00 H new ATOM 0 HA ALA A 55 5.452 2.184 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.177 4.379 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.370 4.119 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.647 3.795 8.873 1.00 0.00 H new ATOM 842 N ARG A 56 2.316 1.508 10.090 1.00 0.00 N ATOM 843 CA ARG A 56 1.047 0.901 10.569 1.00 0.00 C ATOM 844 C ARG A 56 1.156 -0.613 10.912 1.00 0.00 C ATOM 845 O ARG A 56 0.437 -1.081 11.798 1.00 0.00 O ATOM 846 CB ARG A 56 -0.018 1.089 9.445 1.00 0.00 C ATOM 847 CG ARG A 56 -0.280 2.557 9.039 1.00 0.00 C ATOM 848 CD ARG A 56 -0.801 2.802 7.618 1.00 0.00 C ATOM 849 NE ARG A 56 -2.243 2.488 7.466 1.00 0.00 N ATOM 850 CZ ARG A 56 -3.248 3.385 7.542 1.00 0.00 C ATOM 851 NH1 ARG A 56 -3.073 4.688 7.755 1.00 0.00 N ATOM 852 NH2 ARG A 56 -4.484 2.944 7.396 1.00 0.00 N ATOM 0 H ARG A 56 2.322 1.656 9.081 1.00 0.00 H new ATOM 0 HA ARG A 56 0.775 1.402 11.498 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.303 0.535 8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.957 0.645 9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.998 2.980 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.649 3.113 9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.632 3.845 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.227 2.196 6.917 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.495 1.515 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.132 5.064 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.880 5.310 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.655 1.952 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.267 3.595 7.448 1.00 0.00 H new ATOM 866 N GLY A 57 2.000 -1.366 10.178 1.00 0.00 N ATOM 867 CA GLY A 57 1.983 -2.840 10.182 1.00 0.00 C ATOM 868 C GLY A 57 1.289 -3.560 9.014 1.00 0.00 C ATOM 869 O GLY A 57 1.224 -4.792 9.079 1.00 0.00 O ATOM 0 H GLY A 57 2.712 -0.968 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.016 -3.185 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.504 -3.165 11.106 1.00 0.00 H new ATOM 873 N LYS A 58 0.775 -2.854 7.984 1.00 0.00 N ATOM 874 CA LYS A 58 -0.031 -3.500 6.906 1.00 0.00 C ATOM 875 C LYS A 58 0.618 -3.302 5.491 1.00 0.00 C ATOM 876 O LYS A 58 0.886 -2.151 5.138 1.00 0.00 O ATOM 877 CB LYS A 58 -1.536 -3.143 7.015 1.00 0.00 C ATOM 878 CG LYS A 58 -1.977 -1.666 6.974 1.00 0.00 C ATOM 879 CD LYS A 58 -1.877 -1.011 5.579 1.00 0.00 C ATOM 880 CE LYS A 58 -3.106 -0.172 5.200 1.00 0.00 C ATOM 881 NZ LYS A 58 -2.914 0.542 3.925 1.00 0.00 N ATOM 0 H LYS A 58 0.897 -1.848 7.869 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.008 -4.579 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.052 -3.659 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.904 -3.567 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.008 -1.597 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.366 -1.097 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.992 -0.376 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.736 -1.791 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.979 -0.821 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.312 0.548 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.766 1.096 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.097 1.180 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.743 -0.146 3.164 1.00 0.00 H new ATOM 895 N PRO A 59 0.902 -4.351 4.657 1.00 0.00 N ATOM 896 CA PRO A 59 1.622 -4.191 3.362 1.00 0.00 C ATOM 897 C PRO A 59 0.711 -3.902 2.139 1.00 0.00 C ATOM 898 O PRO A 59 -0.483 -4.218 2.108 1.00 0.00 O ATOM 899 CB PRO A 59 2.374 -5.535 3.227 1.00 0.00 C ATOM 900 CG PRO A 59 1.544 -6.556 3.999 1.00 0.00 C ATOM 901 CD PRO A 59 0.857 -5.757 5.100 1.00 0.00 C ATOM 0 HA PRO A 59 2.269 -3.314 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.474 -5.824 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.382 -5.462 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.815 -7.042 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.174 -7.342 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.171 -6.090 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.369 -5.884 6.054 1.00 0.00 H new ATOM 909 N MET A 60 1.355 -3.325 1.115 1.00 0.00 N ATOM 910 CA MET A 60 0.754 -3.106 -0.226 1.00 0.00 C ATOM 911 C MET A 60 0.904 -4.350 -1.164 1.00 0.00 C ATOM 912 O MET A 60 1.530 -5.363 -0.827 1.00 0.00 O ATOM 913 CB MET A 60 1.346 -1.792 -0.822 1.00 0.00 C ATOM 914 CG MET A 60 2.880 -1.711 -0.945 1.00 0.00 C ATOM 915 SD MET A 60 3.568 -3.073 -1.891 1.00 0.00 S ATOM 916 CE MET A 60 3.157 -2.597 -3.562 1.00 0.00 C ATOM 0 H MET A 60 2.316 -2.991 1.186 1.00 0.00 H new ATOM 0 HA MET A 60 -0.325 -2.984 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.918 -1.647 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.011 -0.958 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.154 -0.769 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.321 -1.706 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.295 -3.449 -4.227 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.118 -2.270 -3.602 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.807 -1.781 -3.878 1.00 0.00 H new ATOM 926 N GLU A 61 0.302 -4.234 -2.359 1.00 0.00 N ATOM 927 CA GLU A 61 0.353 -5.265 -3.423 1.00 0.00 C ATOM 928 C GLU A 61 0.501 -4.578 -4.807 1.00 0.00 C ATOM 929 O GLU A 61 -0.332 -3.764 -5.220 1.00 0.00 O ATOM 930 CB GLU A 61 -0.921 -6.151 -3.393 1.00 0.00 C ATOM 931 CG GLU A 61 -0.945 -7.214 -2.275 1.00 0.00 C ATOM 932 CD GLU A 61 -1.661 -6.806 -0.981 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.886 -6.548 -1.021 1.00 0.00 O ATOM 934 OE2 GLU A 61 -1.007 -6.749 0.085 1.00 0.00 O ATOM 0 H GLU A 61 -0.242 -3.413 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 61 1.215 -5.909 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.792 -5.506 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.019 -6.654 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.423 -8.113 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.083 -7.480 -2.031 1.00 0.00 H new ATOM 941 N LEU A 62 1.578 -4.960 -5.514 1.00 0.00 N ATOM 942 CA LEU A 62 1.891 -4.491 -6.887 1.00 0.00 C ATOM 943 C LEU A 62 1.821 -5.729 -7.818 1.00 0.00 C ATOM 944 O LEU A 62 2.435 -6.773 -7.576 1.00 0.00 O ATOM 945 CB LEU A 62 3.287 -3.801 -6.904 1.00 0.00 C ATOM 946 CG LEU A 62 4.023 -3.596 -8.261 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.571 -2.340 -9.005 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.538 -3.661 -8.121 1.00 0.00 C ATOM 0 H LEU A 62 2.270 -5.613 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 62 1.178 -3.744 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.172 -2.820 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.946 -4.381 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 62 3.727 -4.441 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.121 -2.254 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.504 -2.406 -9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.765 -1.462 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.000 -3.512 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.874 -2.881 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.826 -4.636 -7.729 1.00 0.00 H new ATOM 960 N ILE A 63 1.118 -5.527 -8.937 1.00 0.00 N ATOM 961 CA ILE A 63 1.063 -6.493 -10.065 1.00 0.00 C ATOM 962 C ILE A 63 2.073 -5.952 -11.122 1.00 0.00 C ATOM 963 O ILE A 63 2.024 -4.790 -11.542 1.00 0.00 O ATOM 964 CB ILE A 63 -0.398 -6.682 -10.616 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.377 -7.386 -9.626 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.443 -7.502 -11.934 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.792 -6.574 -8.394 1.00 0.00 C ATOM 0 H ILE A 63 0.564 -4.686 -9.097 1.00 0.00 H new ATOM 0 HA ILE A 63 1.343 -7.500 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.724 -5.655 -10.779 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.278 -7.663 -10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.914 -8.312 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.476 -7.600 -12.267 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.138 -6.990 -12.701 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.022 -8.492 -11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.472 -7.165 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.907 -6.319 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.292 -5.660 -8.713 1.00 0.00 H new ATOM 979 N ILE A 64 2.955 -6.854 -11.574 1.00 0.00 N ATOM 980 CA ILE A 64 3.952 -6.550 -12.638 1.00 0.00 C ATOM 981 C ILE A 64 3.221 -6.594 -14.019 1.00 0.00 C ATOM 982 O ILE A 64 2.752 -7.652 -14.445 1.00 0.00 O ATOM 983 CB ILE A 64 5.224 -7.471 -12.597 1.00 0.00 C ATOM 984 CG1 ILE A 64 5.934 -7.620 -11.217 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.269 -7.064 -13.667 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.574 -6.376 -10.600 1.00 0.00 C ATOM 0 H ILE A 64 3.007 -7.810 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 64 4.351 -5.551 -12.463 1.00 0.00 H new ATOM 0 HB ILE A 64 4.807 -8.454 -12.817 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.204 -8.007 -10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.710 -8.378 -11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.132 -7.727 -13.603 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.824 -7.142 -14.659 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.587 -6.036 -13.492 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.027 -6.636 -9.644 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.341 -5.990 -11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.811 -5.614 -10.444 1.00 0.00 H new ATOM 998 N GLY A 65 3.141 -5.435 -14.693 1.00 0.00 N ATOM 999 CA GLY A 65 2.756 -5.323 -16.126 1.00 0.00 C ATOM 1000 C GLY A 65 1.474 -6.021 -16.627 1.00 0.00 C ATOM 1001 O GLY A 65 1.530 -6.807 -17.578 1.00 0.00 O ATOM 0 H GLY A 65 3.343 -4.533 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.661 -4.262 -16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.588 -5.704 -16.718 1.00 0.00 H new ATOM 1005 N LYS A 66 0.337 -5.727 -15.977 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.983 -6.325 -16.308 1.00 0.00 C ATOM 1007 C LYS A 66 -2.090 -5.387 -15.739 1.00 0.00 C ATOM 1008 O LYS A 66 -2.838 -4.792 -16.520 1.00 0.00 O ATOM 1009 CB LYS A 66 -1.093 -7.810 -15.837 1.00 0.00 C ATOM 1010 CG LYS A 66 -2.376 -8.545 -16.292 1.00 0.00 C ATOM 1011 CD LYS A 66 -2.525 -9.991 -15.773 1.00 0.00 C ATOM 1012 CE LYS A 66 -2.763 -10.109 -14.253 1.00 0.00 C ATOM 1013 NZ LYS A 66 -3.101 -11.488 -13.860 1.00 0.00 N ATOM 0 H LYS A 66 0.299 -5.065 -15.202 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.113 -6.390 -17.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.227 -8.358 -16.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.044 -7.835 -14.748 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.241 -7.968 -15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.398 -8.563 -17.382 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.356 -10.466 -16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.625 -10.550 -16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.869 -9.787 -13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.570 -9.438 -13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.026 -11.497 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.141 -12.091 -14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.375 -11.852 -13.210 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.196 -5.269 -14.398 1.00 0.00 N ATOM 1028 CA LYS A 67 -3.215 -4.439 -13.708 1.00 0.00 C ATOM 1029 C LYS A 67 -2.711 -3.045 -13.224 1.00 0.00 C ATOM 1030 O LYS A 67 -3.540 -2.137 -13.111 1.00 0.00 O ATOM 1031 CB LYS A 67 -3.809 -5.247 -12.521 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.708 -6.438 -12.930 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.119 -7.314 -11.734 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.154 -8.390 -12.104 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.507 -9.227 -10.944 1.00 0.00 N ATOM 0 H LYS A 67 -1.570 -5.752 -13.754 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.980 -4.213 -14.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.989 -5.623 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.390 -4.570 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.604 -6.059 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.180 -7.052 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.232 -7.797 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.529 -6.678 -10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.052 -7.912 -12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.756 -9.020 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.207 -9.941 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.654 -9.702 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.910 -8.629 -10.194 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.411 -2.867 -12.898 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.894 -1.647 -12.237 1.00 0.00 C ATOM 1051 C PHE A 68 -0.400 -0.593 -13.265 1.00 0.00 C ATOM 1052 O PHE A 68 0.231 -0.910 -14.280 1.00 0.00 O ATOM 1053 CB PHE A 68 0.245 -2.050 -11.259 1.00 0.00 C ATOM 1054 CG PHE A 68 0.311 -1.209 -9.975 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.379 -1.654 -8.843 1.00 0.00 C ATOM 1056 CD2 PHE A 68 1.155 -0.095 -9.872 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.213 -1.013 -7.622 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.317 0.548 -8.646 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.645 0.075 -7.522 1.00 0.00 C ATOM 0 H PHE A 68 -0.691 -3.565 -13.086 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.707 -1.179 -11.682 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.118 -3.098 -10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.199 -1.970 -11.780 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.045 -2.501 -8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.681 0.266 -10.744 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.750 -1.360 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.962 1.411 -8.568 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.792 0.557 -6.567 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.684 0.673 -12.941 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.319 1.847 -13.784 1.00 0.00 C ATOM 1071 C LYS A 69 1.151 2.358 -13.664 1.00 0.00 C ATOM 1072 O LYS A 69 1.662 2.858 -14.667 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.326 2.994 -13.487 1.00 0.00 C ATOM 1074 CG LYS A 69 -2.632 3.035 -14.309 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.607 1.837 -14.229 1.00 0.00 C ATOM 1076 CE LYS A 69 -3.407 0.786 -15.340 1.00 0.00 C ATOM 1077 NZ LYS A 69 -4.478 -0.225 -15.333 1.00 0.00 N ATOM 0 H LYS A 69 -1.176 0.927 -12.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.380 1.503 -14.817 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.596 2.939 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.808 3.941 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.182 3.927 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.358 3.167 -15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.491 1.352 -13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.630 2.211 -14.278 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.382 1.282 -16.310 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.443 0.295 -15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.537 -0.675 -16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.269 -0.947 -14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.385 0.232 -15.111 1.00 0.00 H new ATOM 1091 N LEU A 70 1.794 2.294 -12.480 1.00 0.00 N ATOM 1092 CA LEU A 70 3.109 2.936 -12.211 1.00 0.00 C ATOM 1093 C LEU A 70 4.277 1.918 -12.459 1.00 0.00 C ATOM 1094 O LEU A 70 4.460 1.031 -11.616 1.00 0.00 O ATOM 1095 CB LEU A 70 3.080 3.543 -10.772 1.00 0.00 C ATOM 1096 CG LEU A 70 4.097 4.634 -10.314 1.00 0.00 C ATOM 1097 CD1 LEU A 70 5.083 4.115 -9.261 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.808 5.412 -11.437 1.00 0.00 C ATOM 0 H LEU A 70 1.418 1.794 -11.675 1.00 0.00 H new ATOM 0 HA LEU A 70 3.297 3.757 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.084 3.961 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.179 2.709 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 70 3.460 5.382 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.767 4.915 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.533 3.780 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.650 3.281 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.489 6.142 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.371 4.718 -12.060 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.067 5.928 -12.047 1.00 0.00 H new ATOM 1110 N PRO A 71 5.079 1.986 -13.567 1.00 0.00 N ATOM 1111 CA PRO A 71 6.182 1.021 -13.854 1.00 0.00 C ATOM 1112 C PRO A 71 7.506 1.141 -13.036 1.00 0.00 C ATOM 1113 O PRO A 71 8.289 0.187 -13.035 1.00 0.00 O ATOM 1114 CB PRO A 71 6.439 1.270 -15.356 1.00 0.00 C ATOM 1115 CG PRO A 71 6.120 2.752 -15.566 1.00 0.00 C ATOM 1116 CD PRO A 71 4.926 2.985 -14.642 1.00 0.00 C ATOM 0 HA PRO A 71 5.869 0.018 -13.563 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.472 1.046 -15.623 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.805 0.637 -15.976 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.965 3.388 -15.301 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.873 2.968 -16.606 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.927 3.999 -14.242 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.983 2.853 -15.173 1.00 0.00 H new ATOM 1124 N VAL A 72 7.763 2.283 -12.362 1.00 0.00 N ATOM 1125 CA VAL A 72 8.953 2.456 -11.475 1.00 0.00 C ATOM 1126 C VAL A 72 8.916 1.571 -10.187 1.00 0.00 C ATOM 1127 O VAL A 72 9.961 1.032 -9.836 1.00 0.00 O ATOM 1128 CB VAL A 72 9.312 3.953 -11.222 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.294 4.737 -10.386 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.728 4.142 -10.623 1.00 0.00 C ATOM 0 H VAL A 72 7.164 3.107 -12.411 1.00 0.00 H new ATOM 0 HA VAL A 72 9.798 2.058 -12.037 1.00 0.00 H new ATOM 0 HB VAL A 72 9.286 4.378 -12.225 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.635 5.765 -10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.328 4.731 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.194 4.273 -9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.919 5.204 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.792 3.620 -9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.471 3.735 -11.309 1.00 0.00 H new ATOM 1140 N TRP A 73 7.751 1.362 -9.534 1.00 0.00 N ATOM 1141 CA TRP A 73 7.564 0.289 -8.507 1.00 0.00 C ATOM 1142 C TRP A 73 7.983 -1.144 -8.941 1.00 0.00 C ATOM 1143 O TRP A 73 8.574 -1.859 -8.133 1.00 0.00 O ATOM 1144 CB TRP A 73 6.089 0.321 -7.997 1.00 0.00 C ATOM 1145 CG TRP A 73 5.777 1.379 -6.927 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.506 2.563 -6.687 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.770 1.377 -5.975 1.00 0.00 C ATOM 1148 NE1 TRP A 73 6.002 3.280 -5.601 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.925 2.539 -5.177 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.717 0.466 -5.710 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 4.038 2.798 -4.114 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.837 0.756 -4.662 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.996 1.901 -3.881 1.00 0.00 C ATOM 0 H TRP A 73 6.914 1.923 -9.696 1.00 0.00 H new ATOM 0 HA TRP A 73 8.259 0.522 -7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.432 0.489 -8.851 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.842 -0.661 -7.594 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.355 2.878 -7.275 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.353 4.155 -5.211 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.597 -0.429 -6.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.162 3.673 -3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.020 0.081 -4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.298 2.097 -3.080 1.00 0.00 H new ATOM 1164 N GLU A 74 7.711 -1.514 -10.202 1.00 0.00 N ATOM 1165 CA GLU A 74 8.139 -2.811 -10.808 1.00 0.00 C ATOM 1166 C GLU A 74 9.680 -2.957 -11.038 1.00 0.00 C ATOM 1167 O GLU A 74 10.222 -4.037 -10.802 1.00 0.00 O ATOM 1168 CB GLU A 74 7.368 -3.039 -12.144 1.00 0.00 C ATOM 1169 CG GLU A 74 5.828 -2.856 -12.152 1.00 0.00 C ATOM 1170 CD GLU A 74 5.153 -2.939 -13.527 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.716 -3.536 -14.472 1.00 0.00 O ATOM 1172 OE2 GLU A 74 4.030 -2.405 -13.661 1.00 0.00 O ATOM 0 H GLU A 74 7.184 -0.925 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 74 7.890 -3.580 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.786 -2.360 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.583 -4.053 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.387 -3.615 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.594 -1.887 -11.711 1.00 0.00 H new ATOM 1179 N THR A 75 10.365 -1.883 -11.479 1.00 0.00 N ATOM 1180 CA THR A 75 11.851 -1.804 -11.607 1.00 0.00 C ATOM 1181 C THR A 75 12.595 -1.694 -10.230 1.00 0.00 C ATOM 1182 O THR A 75 13.623 -2.356 -10.064 1.00 0.00 O ATOM 1183 CB THR A 75 12.163 -0.630 -12.592 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.450 -0.790 -13.819 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.640 -0.488 -12.982 1.00 0.00 C ATOM 0 H THR A 75 9.899 -1.022 -11.765 1.00 0.00 H new ATOM 0 HA THR A 75 12.241 -2.737 -12.012 1.00 0.00 H new ATOM 0 HB THR A 75 11.859 0.257 -12.035 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.659 -0.044 -14.419 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.756 0.352 -13.667 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.237 -0.312 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.977 -1.403 -13.469 1.00 0.00 H new ATOM 1193 N ILE A 76 12.064 -0.930 -9.243 1.00 0.00 N ATOM 1194 CA ILE A 76 12.456 -1.008 -7.796 1.00 0.00 C ATOM 1195 C ILE A 76 12.516 -2.480 -7.258 1.00 0.00 C ATOM 1196 O ILE A 76 13.543 -2.879 -6.699 1.00 0.00 O ATOM 1197 CB ILE A 76 11.543 -0.048 -6.924 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.786 1.464 -7.227 1.00 0.00 C ATOM 1199 CG2 ILE A 76 11.638 -0.280 -5.390 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.782 2.460 -6.618 1.00 0.00 C ATOM 0 H ILE A 76 11.343 -0.232 -9.422 1.00 0.00 H new ATOM 0 HA ILE A 76 13.480 -0.647 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 76 10.534 -0.321 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.783 1.726 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.786 1.599 -8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.981 0.420 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.335 -1.301 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.665 -0.123 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.060 3.475 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.781 2.241 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.794 2.370 -5.532 1.00 0.00 H new ATOM 1212 N VAL A 77 11.427 -3.254 -7.429 1.00 0.00 N ATOM 1213 CA VAL A 77 11.340 -4.658 -6.939 1.00 0.00 C ATOM 1214 C VAL A 77 11.865 -5.777 -7.887 1.00 0.00 C ATOM 1215 O VAL A 77 11.918 -6.929 -7.445 1.00 0.00 O ATOM 1216 CB VAL A 77 9.914 -4.983 -6.400 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.528 -4.082 -5.204 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.781 -5.124 -7.435 1.00 0.00 C ATOM 0 H VAL A 77 10.584 -2.934 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 77 12.059 -4.680 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 77 10.016 -6.008 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.527 -4.343 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.240 -4.230 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.544 -3.038 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.846 -5.350 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.675 -4.191 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.019 -5.931 -8.128 1.00 0.00 H new ATOM 1228 N CYS A 78 12.275 -5.482 -9.136 1.00 0.00 N ATOM 1229 CA CYS A 78 12.863 -6.492 -10.054 1.00 0.00 C ATOM 1230 C CYS A 78 14.145 -7.210 -9.532 1.00 0.00 C ATOM 1231 O CYS A 78 14.275 -8.422 -9.721 1.00 0.00 O ATOM 1232 CB CYS A 78 13.119 -5.830 -11.427 1.00 0.00 C ATOM 1233 SG CYS A 78 13.776 -7.032 -12.634 1.00 0.00 S ATOM 0 H CYS A 78 12.211 -4.547 -9.539 1.00 0.00 H new ATOM 0 HA CYS A 78 12.129 -7.294 -10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.190 -5.403 -11.805 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.824 -5.007 -11.310 1.00 0.00 H new ATOM 0 HG CYS A 78 14.068 -8.143 -12.025 1.00 0.00 H new ATOM 1239 N THR A 79 15.047 -6.480 -8.844 1.00 0.00 N ATOM 1240 CA THR A 79 16.214 -7.074 -8.126 1.00 0.00 C ATOM 1241 C THR A 79 15.912 -7.714 -6.717 1.00 0.00 C ATOM 1242 O THR A 79 16.833 -8.259 -6.102 1.00 0.00 O ATOM 1243 CB THR A 79 17.349 -6.012 -8.001 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.960 -4.937 -7.147 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.803 -5.422 -9.346 1.00 0.00 C ATOM 0 H THR A 79 14.995 -5.464 -8.765 1.00 0.00 H new ATOM 0 HA THR A 79 16.521 -7.918 -8.744 1.00 0.00 H new ATOM 0 HB THR A 79 18.191 -6.557 -7.575 1.00 0.00 H new ATOM 0 HG1 THR A 79 17.619 -4.214 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.594 -4.692 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.179 -6.221 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.959 -4.934 -9.833 1.00 0.00 H new ATOM 1253 N MET A 80 14.664 -7.637 -6.200 1.00 0.00 N ATOM 1254 CA MET A 80 14.318 -7.977 -4.795 1.00 0.00 C ATOM 1255 C MET A 80 13.626 -9.368 -4.720 1.00 0.00 C ATOM 1256 O MET A 80 12.682 -9.657 -5.459 1.00 0.00 O ATOM 1257 CB MET A 80 13.406 -6.886 -4.170 1.00 0.00 C ATOM 1258 CG MET A 80 14.090 -5.541 -3.843 1.00 0.00 C ATOM 1259 SD MET A 80 12.858 -4.321 -3.331 1.00 0.00 S ATOM 1260 CE MET A 80 12.520 -4.815 -1.630 1.00 0.00 C ATOM 0 H MET A 80 13.859 -7.335 -6.749 1.00 0.00 H new ATOM 0 HA MET A 80 15.244 -8.020 -4.222 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.580 -6.694 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.973 -7.284 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.824 -5.682 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.631 -5.178 -4.717 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.458 -4.690 -1.419 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.796 -5.860 -1.493 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.101 -4.194 -0.948 1.00 0.00 H new ATOM 1270 N ARG A 81 14.110 -10.205 -3.791 1.00 0.00 N ATOM 1271 CA ARG A 81 13.591 -11.582 -3.536 1.00 0.00 C ATOM 1272 C ARG A 81 12.808 -11.653 -2.190 1.00 0.00 C ATOM 1273 O ARG A 81 12.781 -10.688 -1.425 1.00 0.00 O ATOM 1274 CB ARG A 81 14.780 -12.586 -3.594 1.00 0.00 C ATOM 1275 CG ARG A 81 15.934 -12.333 -2.593 1.00 0.00 C ATOM 1276 CD ARG A 81 17.104 -13.302 -2.780 1.00 0.00 C ATOM 1277 NE ARG A 81 18.248 -12.874 -1.945 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.460 -13.463 -1.960 1.00 0.00 C ATOM 1279 NH1 ARG A 81 19.755 -14.539 -2.690 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.415 -12.949 -1.208 1.00 0.00 N ATOM 0 H ARG A 81 14.886 -9.952 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 81 12.873 -11.855 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.391 -13.589 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.192 -12.572 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.293 -11.310 -2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.553 -12.423 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.799 -14.312 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.399 -13.332 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 81 18.110 -12.082 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.042 -14.964 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.694 -14.937 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 20.226 -12.127 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.342 -13.374 -1.200 1.00 0.00 H new ATOM 1294 N GLU A 82 12.191 -12.813 -1.884 1.00 0.00 N ATOM 1295 CA GLU A 82 11.361 -13.018 -0.658 1.00 0.00 C ATOM 1296 C GLU A 82 12.181 -12.826 0.652 1.00 0.00 C ATOM 1297 O GLU A 82 13.047 -13.638 0.992 1.00 0.00 O ATOM 1298 CB GLU A 82 10.703 -14.426 -0.680 1.00 0.00 C ATOM 1299 CG GLU A 82 9.661 -14.631 -1.799 1.00 0.00 C ATOM 1300 CD GLU A 82 8.933 -15.974 -1.725 1.00 0.00 C ATOM 1301 OE1 GLU A 82 7.892 -16.061 -1.035 1.00 0.00 O ATOM 1302 OE2 GLU A 82 9.396 -16.948 -2.358 1.00 0.00 O ATOM 0 H GLU A 82 12.249 -13.642 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 82 10.583 -12.255 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.486 -15.177 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.223 -14.603 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.927 -13.827 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.159 -14.551 -2.765 1.00 0.00 H new ATOM 1309 N GLY A 83 11.910 -11.705 1.339 1.00 0.00 N ATOM 1310 CA GLY A 83 12.716 -11.270 2.507 1.00 0.00 C ATOM 1311 C GLY A 83 13.865 -10.248 2.282 1.00 0.00 C ATOM 1312 O GLY A 83 14.646 -10.052 3.216 1.00 0.00 O ATOM 0 H GLY A 83 11.139 -11.078 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.032 -10.842 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.150 -12.162 2.959 1.00 0.00 H new ATOM 1316 N GLU A 84 13.981 -9.596 1.105 1.00 0.00 N ATOM 1317 CA GLU A 84 15.030 -8.579 0.822 1.00 0.00 C ATOM 1318 C GLU A 84 14.474 -7.160 1.099 1.00 0.00 C ATOM 1319 O GLU A 84 13.367 -6.824 0.680 1.00 0.00 O ATOM 1320 CB GLU A 84 15.535 -8.746 -0.638 1.00 0.00 C ATOM 1321 CG GLU A 84 16.717 -7.820 -1.010 1.00 0.00 C ATOM 1322 CD GLU A 84 17.485 -8.219 -2.272 1.00 0.00 C ATOM 1323 OE1 GLU A 84 18.079 -9.320 -2.299 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.528 -7.417 -3.231 1.00 0.00 O ATOM 0 H GLU A 84 13.351 -9.757 0.319 1.00 0.00 H new ATOM 0 HA GLU A 84 15.885 -8.724 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.838 -9.782 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.708 -8.553 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.337 -6.807 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.414 -7.793 -0.173 1.00 0.00 H new ATOM 1331 N ILE A 85 15.270 -6.336 1.797 1.00 0.00 N ATOM 1332 CA ILE A 85 14.848 -4.986 2.251 1.00 0.00 C ATOM 1333 C ILE A 85 15.849 -3.990 1.610 1.00 0.00 C ATOM 1334 O ILE A 85 17.041 -4.035 1.922 1.00 0.00 O ATOM 1335 CB ILE A 85 14.785 -4.881 3.818 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.908 -5.968 4.526 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.268 -3.490 4.251 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.681 -7.217 4.978 1.00 0.00 C ATOM 0 H ILE A 85 16.224 -6.578 2.066 1.00 0.00 H new ATOM 0 HA ILE A 85 13.831 -4.758 1.933 1.00 0.00 H new ATOM 0 HB ILE A 85 15.814 -5.048 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.428 -5.519 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.113 -6.275 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.232 -3.438 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.939 -2.719 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.268 -3.331 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.995 -7.915 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.139 -7.695 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.458 -6.928 5.685 1.00 0.00 H new ATOM 1350 N ALA A 86 15.350 -3.091 0.740 1.00 0.00 N ATOM 1351 CA ALA A 86 16.183 -2.069 0.060 1.00 0.00 C ATOM 1352 C ALA A 86 15.521 -0.669 0.116 1.00 0.00 C ATOM 1353 O ALA A 86 14.331 -0.511 -0.170 1.00 0.00 O ATOM 1354 CB ALA A 86 16.453 -2.515 -1.390 1.00 0.00 C ATOM 0 H ALA A 86 14.363 -3.049 0.487 1.00 0.00 H new ATOM 0 HA ALA A 86 17.135 -1.981 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.065 -1.766 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.979 -3.470 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.506 -2.625 -1.919 1.00 0.00 H new ATOM 1360 N GLN A 87 16.332 0.341 0.488 1.00 0.00 N ATOM 1361 CA GLN A 87 15.878 1.741 0.695 1.00 0.00 C ATOM 1362 C GLN A 87 16.775 2.677 -0.131 1.00 0.00 C ATOM 1363 O GLN A 87 18.003 2.674 0.032 1.00 0.00 O ATOM 1364 CB GLN A 87 15.916 2.058 2.216 1.00 0.00 C ATOM 1365 CG GLN A 87 15.614 3.500 2.690 1.00 0.00 C ATOM 1366 CD GLN A 87 16.810 4.465 2.694 1.00 0.00 C ATOM 1367 OE1 GLN A 87 16.856 5.335 1.707 1.00 0.00 O flip ATOM 1368 NE2 GLN A 87 17.671 4.440 3.573 1.00 0.00 N flip ATOM 0 H GLN A 87 17.330 0.213 0.656 1.00 0.00 H new ATOM 0 HA GLN A 87 14.852 1.886 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.205 1.394 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.907 1.792 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.836 3.917 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.206 3.453 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.611 3.755 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.445 5.104 3.548 1.00 0.00 H new ATOM 1377 N PHE A 88 16.148 3.490 -1.009 1.00 0.00 N ATOM 1378 CA PHE A 88 16.889 4.250 -2.050 1.00 0.00 C ATOM 1379 C PHE A 88 15.968 5.233 -2.845 1.00 0.00 C ATOM 1380 O PHE A 88 14.742 5.091 -2.855 1.00 0.00 O ATOM 1381 CB PHE A 88 17.637 3.270 -2.993 1.00 0.00 C ATOM 1382 CG PHE A 88 16.778 2.261 -3.764 1.00 0.00 C ATOM 1383 CD1 PHE A 88 16.090 2.675 -4.905 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.684 0.929 -3.346 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.328 1.772 -5.623 1.00 0.00 C ATOM 1386 CE2 PHE A 88 15.945 0.016 -4.088 1.00 0.00 C ATOM 1387 CZ PHE A 88 15.280 0.438 -5.232 1.00 0.00 C ATOM 0 H PHE A 88 15.139 3.639 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 88 17.625 4.875 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 88 18.201 3.859 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.363 2.714 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.153 3.704 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.187 0.610 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.770 2.102 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 88 15.888 -1.017 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.722 -0.274 -5.822 1.00 0.00 H new ATOM 1397 N LEU A 89 16.590 6.177 -3.585 1.00 0.00 N ATOM 1398 CA LEU A 89 15.864 7.156 -4.449 1.00 0.00 C ATOM 1399 C LEU A 89 15.677 6.706 -5.930 1.00 0.00 C ATOM 1400 O LEU A 89 16.478 5.942 -6.479 1.00 0.00 O ATOM 1401 CB LEU A 89 16.430 8.607 -4.325 1.00 0.00 C ATOM 1402 CG LEU A 89 17.936 8.895 -4.606 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.302 8.860 -6.105 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.331 10.266 -4.017 1.00 0.00 C ATOM 0 H LEU A 89 17.604 6.288 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 89 14.853 7.177 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.851 9.237 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.221 8.949 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 89 18.494 8.092 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.365 9.069 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.078 7.874 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.722 9.613 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.385 10.458 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.725 11.047 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.162 10.262 -2.940 1.00 0.00 H new ATOM 1416 N CYS A 90 14.619 7.248 -6.570 1.00 0.00 N ATOM 1417 CA CYS A 90 14.439 7.193 -8.046 1.00 0.00 C ATOM 1418 C CYS A 90 14.318 8.632 -8.615 1.00 0.00 C ATOM 1419 O CYS A 90 13.701 9.512 -8.000 1.00 0.00 O ATOM 1420 CB CYS A 90 13.183 6.383 -8.424 1.00 0.00 C ATOM 1421 SG CYS A 90 13.190 4.744 -7.621 1.00 0.00 S ATOM 0 H CYS A 90 13.866 7.735 -6.085 1.00 0.00 H new ATOM 0 HA CYS A 90 15.310 6.698 -8.475 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.290 6.933 -8.128 1.00 0.00 H new ATOM 0 HB3 CYS A 90 13.138 6.261 -9.506 1.00 0.00 H new ATOM 0 HG CYS A 90 14.301 4.587 -6.964 1.00 0.00 H new ATOM 1427 N ASP A 91 14.860 8.849 -9.830 1.00 0.00 N ATOM 1428 CA ASP A 91 14.780 10.156 -10.534 1.00 0.00 C ATOM 1429 C ASP A 91 13.328 10.475 -11.013 1.00 0.00 C ATOM 1430 O ASP A 91 12.557 9.575 -11.362 1.00 0.00 O ATOM 1431 CB ASP A 91 15.833 10.156 -11.679 1.00 0.00 C ATOM 1432 CG ASP A 91 16.118 11.534 -12.295 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.919 12.301 -11.714 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.537 11.858 -13.353 1.00 0.00 O ATOM 0 H ASP A 91 15.363 8.132 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 91 15.020 10.969 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.767 9.746 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.491 9.485 -12.467 1.00 0.00 H new ATOM 1439 N ILE A 92 12.977 11.775 -11.014 1.00 0.00 N ATOM 1440 CA ILE A 92 11.643 12.289 -11.441 1.00 0.00 C ATOM 1441 C ILE A 92 11.129 11.933 -12.863 1.00 0.00 C ATOM 1442 O ILE A 92 9.914 11.825 -13.015 1.00 0.00 O ATOM 1443 CB ILE A 92 11.463 13.828 -11.171 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.747 14.711 -11.251 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.686 14.027 -9.858 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.516 16.227 -11.331 1.00 0.00 C ATOM 0 H ILE A 92 13.613 12.514 -10.716 1.00 0.00 H new ATOM 0 HA ILE A 92 10.998 11.707 -10.783 1.00 0.00 H new ATOM 0 HB ILE A 92 10.885 14.207 -12.014 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.363 14.503 -10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.321 14.404 -12.125 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.560 15.093 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.707 13.554 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.240 13.575 -9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.477 16.739 -11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.933 16.460 -12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.974 16.560 -10.446 1.00 0.00 H new ATOM 1458 N LYS A 93 11.989 11.707 -13.867 1.00 0.00 N ATOM 1459 CA LYS A 93 11.573 11.039 -15.144 1.00 0.00 C ATOM 1460 C LYS A 93 10.830 9.652 -15.037 1.00 0.00 C ATOM 1461 O LYS A 93 10.057 9.304 -15.932 1.00 0.00 O ATOM 1462 CB LYS A 93 12.795 10.975 -16.101 1.00 0.00 C ATOM 1463 CG LYS A 93 13.898 9.952 -15.733 1.00 0.00 C ATOM 1464 CD LYS A 93 15.244 10.101 -16.477 1.00 0.00 C ATOM 1465 CE LYS A 93 15.273 9.635 -17.947 1.00 0.00 C ATOM 1466 NZ LYS A 93 14.636 10.584 -18.881 1.00 0.00 N ATOM 0 H LYS A 93 12.974 11.969 -13.836 1.00 0.00 H new ATOM 0 HA LYS A 93 10.783 11.672 -15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.434 10.744 -17.103 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.247 11.966 -16.146 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.089 10.025 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.512 8.950 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.537 11.151 -16.446 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.001 9.543 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.309 9.480 -18.250 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.771 8.671 -18.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.011 10.433 -19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.607 10.431 -18.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.840 11.558 -18.579 1.00 0.00 H new ATOM 1480 N HIS A 94 11.077 8.891 -13.954 1.00 0.00 N ATOM 1481 CA HIS A 94 10.418 7.595 -13.651 1.00 0.00 C ATOM 1482 C HIS A 94 9.219 7.795 -12.663 1.00 0.00 C ATOM 1483 O HIS A 94 8.161 7.205 -12.896 1.00 0.00 O ATOM 1484 CB HIS A 94 11.439 6.559 -13.101 1.00 0.00 C ATOM 1485 CG HIS A 94 12.755 6.368 -13.874 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.982 5.487 -14.917 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.920 7.108 -13.615 1.00 0.00 C ATOM 1488 CE1 HIS A 94 14.297 5.781 -15.190 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.949 6.750 -14.471 1.00 0.00 N ATOM 0 H HIS A 94 11.757 9.163 -13.244 1.00 0.00 H new ATOM 0 HA HIS A 94 10.018 7.196 -14.583 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.689 6.845 -12.080 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.939 5.592 -13.047 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.003 7.861 -12.846 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.817 5.248 -15.972 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.904 7.101 -14.544 1.00 0.00 H new ATOM 1497 N VAL A 95 9.365 8.613 -11.586 1.00 0.00 N ATOM 1498 CA VAL A 95 8.253 8.938 -10.632 1.00 0.00 C ATOM 1499 C VAL A 95 7.388 10.191 -11.032 1.00 0.00 C ATOM 1500 O VAL A 95 6.746 10.801 -10.170 1.00 0.00 O ATOM 1501 CB VAL A 95 8.811 9.015 -9.166 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.478 7.702 -8.705 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.758 10.198 -8.868 1.00 0.00 C ATOM 0 H VAL A 95 10.248 9.066 -11.350 1.00 0.00 H new ATOM 0 HA VAL A 95 7.538 8.117 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 95 7.905 9.191 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.843 7.818 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.749 6.892 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.313 7.467 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.082 10.152 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.628 10.141 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.233 11.137 -9.043 1.00 0.00 H new ATOM 1513 N VAL A 96 7.322 10.546 -12.333 1.00 0.00 N ATOM 1514 CA VAL A 96 6.517 11.696 -12.856 1.00 0.00 C ATOM 1515 C VAL A 96 4.971 11.506 -12.706 1.00 0.00 C ATOM 1516 O VAL A 96 4.273 12.435 -12.292 1.00 0.00 O ATOM 1517 CB VAL A 96 7.033 12.100 -14.297 1.00 0.00 C ATOM 1518 CG1 VAL A 96 6.085 11.893 -15.503 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.564 13.551 -14.324 1.00 0.00 C ATOM 0 H VAL A 96 7.826 10.045 -13.065 1.00 0.00 H new ATOM 0 HA VAL A 96 6.688 12.564 -12.219 1.00 0.00 H new ATOM 0 HB VAL A 96 7.826 11.367 -14.448 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.583 12.217 -16.417 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.826 10.837 -15.585 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.178 12.479 -15.357 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.910 13.793 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.765 14.236 -14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.392 13.648 -13.622 1.00 0.00 H new ATOM 1529 N LEU A 97 4.480 10.299 -13.042 1.00 0.00 N ATOM 1530 CA LEU A 97 3.090 9.852 -12.754 1.00 0.00 C ATOM 1531 C LEU A 97 2.880 9.045 -11.426 1.00 0.00 C ATOM 1532 O LEU A 97 1.808 8.465 -11.240 1.00 0.00 O ATOM 1533 CB LEU A 97 2.543 9.091 -14.000 1.00 0.00 C ATOM 1534 CG LEU A 97 3.266 7.758 -14.381 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.282 6.588 -14.564 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.166 7.904 -15.623 1.00 0.00 C ATOM 0 H LEU A 97 5.036 9.594 -13.526 1.00 0.00 H new ATOM 0 HA LEU A 97 2.511 10.757 -12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.490 8.870 -13.828 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.592 9.762 -14.857 1.00 0.00 H new ATOM 0 HG LEU A 97 3.910 7.525 -13.533 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.834 5.686 -14.828 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.738 6.422 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.576 6.827 -15.360 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.643 6.948 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.561 8.211 -16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.932 8.656 -15.431 1.00 0.00 H new ATOM 1548 N TYR A 98 3.832 9.067 -10.469 1.00 0.00 N ATOM 1549 CA TYR A 98 3.583 8.658 -9.064 1.00 0.00 C ATOM 1550 C TYR A 98 2.495 9.492 -8.299 1.00 0.00 C ATOM 1551 O TYR A 98 1.687 8.816 -7.666 1.00 0.00 O ATOM 1552 CB TYR A 98 4.929 8.588 -8.292 1.00 0.00 C ATOM 1553 CG TYR A 98 4.827 8.067 -6.840 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.286 6.804 -6.564 1.00 0.00 C ATOM 1555 CD2 TYR A 98 5.092 8.942 -5.781 1.00 0.00 C ATOM 1556 CE1 TYR A 98 3.961 6.449 -5.258 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.785 8.578 -4.475 1.00 0.00 C ATOM 1558 CZ TYR A 98 4.198 7.340 -4.215 1.00 0.00 C ATOM 1559 OH TYR A 98 3.813 7.014 -2.940 1.00 0.00 O ATOM 0 H TYR A 98 4.791 9.367 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 98 3.138 7.664 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.614 7.945 -8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.372 9.584 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.120 6.103 -7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.538 9.906 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.525 5.482 -5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.001 9.254 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 98 3.846 6.041 -2.827 1.00 0.00 H new ATOM 1569 N PRO A 99 2.375 10.857 -8.284 1.00 0.00 N ATOM 1570 CA PRO A 99 1.172 11.543 -7.726 1.00 0.00 C ATOM 1571 C PRO A 99 -0.195 11.310 -8.450 1.00 0.00 C ATOM 1572 O PRO A 99 -1.235 11.617 -7.867 1.00 0.00 O ATOM 1573 CB PRO A 99 1.580 13.021 -7.770 1.00 0.00 C ATOM 1574 CG PRO A 99 2.583 13.134 -8.922 1.00 0.00 C ATOM 1575 CD PRO A 99 3.269 11.776 -9.010 1.00 0.00 C ATOM 0 HA PRO A 99 0.946 11.138 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.715 13.662 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.029 13.333 -6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.079 13.379 -9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.307 13.926 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.400 11.465 -10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.261 11.803 -8.558 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.201 10.773 -9.687 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.446 10.330 -10.374 1.00 0.00 C ATOM 1585 C LEU A 100 -1.914 8.920 -9.885 1.00 0.00 C ATOM 1586 O LEU A 100 -3.110 8.717 -9.656 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.283 10.377 -11.926 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.594 11.611 -12.586 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.639 11.512 -14.122 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.125 12.980 -12.119 1.00 0.00 C ATOM 0 H LEU A 100 0.645 10.632 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.233 11.034 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.722 9.491 -12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.278 10.285 -12.362 1.00 0.00 H new ATOM 0 HG LEU A 100 0.440 11.569 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.152 12.385 -14.557 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.120 10.609 -14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.677 11.472 -14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.585 13.775 -12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.188 13.056 -12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.979 13.079 -11.043 1.00 0.00 H new ATOM 1602 N VAL A 101 -0.969 7.969 -9.726 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.238 6.571 -9.284 1.00 0.00 C ATOM 1604 C VAL A 101 -1.336 6.415 -7.734 1.00 0.00 C ATOM 1605 O VAL A 101 -2.141 5.603 -7.285 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.212 5.574 -9.920 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.503 4.096 -9.548 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.153 5.699 -11.460 1.00 0.00 C ATOM 0 H VAL A 101 0.020 8.147 -9.902 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.229 6.313 -9.656 1.00 0.00 H new ATOM 0 HB VAL A 101 0.754 5.856 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.239 3.450 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.456 3.977 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.497 3.821 -9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.572 4.988 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.136 5.486 -11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.146 6.711 -11.732 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.566 7.165 -6.926 1.00 0.00 N ATOM 1619 CA ALA A 102 -0.847 7.358 -5.473 1.00 0.00 C ATOM 1620 C ALA A 102 -2.277 7.846 -5.089 1.00 0.00 C ATOM 1621 O ALA A 102 -2.783 7.461 -4.031 1.00 0.00 O ATOM 1622 CB ALA A 102 0.184 8.334 -4.887 1.00 0.00 C ATOM 0 H ALA A 102 0.267 7.657 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.776 6.356 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.015 8.480 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.186 7.925 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.114 9.291 -5.404 1.00 0.00 H new ATOM 1628 N LYS A 103 -2.929 8.643 -5.963 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.378 8.956 -5.860 1.00 0.00 C ATOM 1630 C LYS A 103 -5.369 7.830 -6.353 1.00 0.00 C ATOM 1631 O LYS A 103 -6.564 8.104 -6.501 1.00 0.00 O ATOM 1632 CB LYS A 103 -4.598 10.310 -6.610 1.00 0.00 C ATOM 1633 CG LYS A 103 -4.419 11.613 -5.796 1.00 0.00 C ATOM 1634 CD LYS A 103 -3.037 11.900 -5.161 1.00 0.00 C ATOM 1635 CE LYS A 103 -2.522 13.352 -5.263 1.00 0.00 C ATOM 1636 NZ LYS A 103 -3.335 14.325 -4.512 1.00 0.00 N ATOM 0 H LYS A 103 -2.471 9.088 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.632 9.027 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.909 10.343 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.607 10.306 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.664 12.450 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.158 11.608 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.082 11.627 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.303 11.244 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.496 13.390 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.497 13.646 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.931 15.276 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.309 14.317 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.339 14.069 -3.504 1.00 0.00 H new ATOM 1650 N SER A 104 -4.916 6.573 -6.542 1.00 0.00 N ATOM 1651 CA SER A 104 -5.774 5.400 -6.851 1.00 0.00 C ATOM 1652 C SER A 104 -5.314 4.085 -6.144 1.00 0.00 C ATOM 1653 O SER A 104 -6.173 3.340 -5.667 1.00 0.00 O ATOM 1654 CB SER A 104 -5.909 5.217 -8.380 1.00 0.00 C ATOM 1655 OG SER A 104 -4.658 4.950 -9.009 1.00 0.00 O ATOM 0 H SER A 104 -3.926 6.336 -6.484 1.00 0.00 H new ATOM 0 HA SER A 104 -6.760 5.614 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.598 4.398 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.346 6.117 -8.814 1.00 0.00 H new ATOM 0 HG SER A 104 -3.928 5.215 -8.411 1.00 0.00 H new ATOM 1661 N LEU A 105 -3.999 3.789 -6.017 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.473 2.731 -5.100 1.00 0.00 C ATOM 1663 C LEU A 105 -3.862 2.854 -3.585 1.00 0.00 C ATOM 1664 O LEU A 105 -3.862 1.846 -2.877 1.00 0.00 O ATOM 1665 CB LEU A 105 -1.943 2.547 -5.352 1.00 0.00 C ATOM 1666 CG LEU A 105 -0.929 3.437 -4.570 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -0.527 2.841 -3.204 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.348 3.699 -5.391 1.00 0.00 C ATOM 0 H LEU A 105 -3.269 4.271 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.996 1.812 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.698 1.506 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.765 2.704 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.453 4.376 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.180 3.508 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.414 2.727 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.062 1.867 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.030 4.322 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.832 2.750 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.086 4.210 -6.318 1.00 0.00 H new ATOM 2135 N ASP A 137 1.257 16.511 0.840 1.00 0.00 N ATOM 2136 CA ASP A 137 2.608 15.903 0.695 1.00 0.00 C ATOM 2137 C ASP A 137 2.762 15.204 -0.691 1.00 0.00 C ATOM 2138 O ASP A 137 3.721 15.491 -1.411 1.00 0.00 O ATOM 2139 CB ASP A 137 2.882 14.916 1.856 1.00 0.00 C ATOM 2140 CG ASP A 137 2.948 15.502 3.276 1.00 0.00 C ATOM 2141 OD1 ASP A 137 3.784 16.397 3.528 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.164 15.061 4.145 1.00 0.00 O ATOM 0 HA ASP A 137 3.351 16.699 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.104 14.153 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 137 3.827 14.411 1.655 1.00 0.00 H new ATOM 2147 N LEU A 138 1.820 14.313 -1.076 1.00 0.00 N ATOM 2148 CA LEU A 138 1.675 13.828 -2.471 1.00 0.00 C ATOM 2149 C LEU A 138 1.002 14.850 -3.453 1.00 0.00 C ATOM 2150 O LEU A 138 1.248 14.734 -4.659 1.00 0.00 O ATOM 2151 CB LEU A 138 1.034 12.407 -2.511 1.00 0.00 C ATOM 2152 CG LEU A 138 -0.225 12.063 -1.655 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.903 10.803 -2.220 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.064 11.794 -0.157 1.00 0.00 C ATOM 0 H LEU A 138 1.140 13.910 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 138 2.687 13.737 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 138 0.777 12.203 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.813 11.698 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.858 12.948 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.782 10.563 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.205 10.984 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.203 9.968 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.869 11.564 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.748 10.950 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 138 0.517 12.679 0.291 1.00 0.00 H new ATOM 2166 N ASP A 139 0.234 15.866 -2.981 1.00 0.00 N ATOM 2167 CA ASP A 139 -0.113 17.060 -3.807 1.00 0.00 C ATOM 2168 C ASP A 139 1.000 18.165 -3.889 1.00 0.00 C ATOM 2169 O ASP A 139 0.943 18.983 -4.812 1.00 0.00 O ATOM 2170 CB ASP A 139 -1.464 17.639 -3.313 1.00 0.00 C ATOM 2171 CG ASP A 139 -2.216 18.500 -4.338 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -2.920 17.933 -5.202 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.105 19.745 -4.281 1.00 0.00 O ATOM 0 H ASP A 139 -0.156 15.886 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 139 -0.201 16.712 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.108 16.812 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.280 18.239 -2.422 1.00 0.00 H new ATOM 2178 N ALA A 140 2.024 18.190 -3.000 1.00 0.00 N ATOM 2179 CA ALA A 140 3.278 18.965 -3.230 1.00 0.00 C ATOM 2180 C ALA A 140 4.078 18.630 -4.526 1.00 0.00 C ATOM 2181 O ALA A 140 4.709 19.533 -5.071 1.00 0.00 O ATOM 2182 CB ALA A 140 4.205 18.832 -2.010 1.00 0.00 C ATOM 0 H ALA A 140 2.010 17.683 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 140 2.935 19.989 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.119 19.400 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.700 19.219 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.454 17.782 -1.855 1.00 0.00 H new ATOM 2188 N LEU A 141 4.036 17.382 -5.034 1.00 0.00 N ATOM 2189 CA LEU A 141 4.590 17.011 -6.371 1.00 0.00 C ATOM 2190 C LEU A 141 3.856 17.623 -7.602 1.00 0.00 C ATOM 2191 O LEU A 141 4.504 17.977 -8.589 1.00 0.00 O ATOM 2192 CB LEU A 141 4.634 15.464 -6.562 1.00 0.00 C ATOM 2193 CG LEU A 141 5.065 14.571 -5.372 1.00 0.00 C ATOM 2194 CD1 LEU A 141 4.900 13.081 -5.714 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.496 14.859 -4.885 1.00 0.00 C ATOM 0 H LEU A 141 3.619 16.596 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 141 5.591 17.443 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.639 15.142 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.309 15.254 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 141 4.399 14.822 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.209 12.476 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 141 3.855 12.874 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.518 12.835 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 141 6.736 14.200 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.199 14.684 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.568 15.897 -4.560 1.00 0.00 H new ATOM 2207 N GLN A 142 2.519 17.743 -7.533 1.00 0.00 N ATOM 2208 CA GLN A 142 1.689 18.473 -8.538 1.00 0.00 C ATOM 2209 C GLN A 142 2.087 19.960 -8.813 1.00 0.00 C ATOM 2210 O GLN A 142 2.058 20.395 -9.967 1.00 0.00 O ATOM 2211 CB GLN A 142 0.197 18.398 -8.103 1.00 0.00 C ATOM 2212 CG GLN A 142 -0.426 16.991 -7.950 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.649 16.244 -9.275 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -1.716 16.321 -9.885 1.00 0.00 O ATOM 2215 NE2 GLN A 142 0.349 15.513 -9.745 1.00 0.00 N ATOM 0 H GLN A 142 1.969 17.337 -6.776 1.00 0.00 H new ATOM 0 HA GLN A 142 1.871 17.967 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 142 0.097 18.917 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -0.395 18.952 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.221 16.389 -7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -1.382 17.085 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.228 15.458 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.240 15.005 -10.623 1.00 0.00 H new ATOM 2224 N GLN A 143 2.467 20.702 -7.760 1.00 0.00 N ATOM 2225 CA GLN A 143 3.100 22.042 -7.873 1.00 0.00 C ATOM 2226 C GLN A 143 4.649 22.011 -8.060 1.00 0.00 C ATOM 2227 O GLN A 143 5.171 22.924 -8.708 1.00 0.00 O ATOM 2228 CB GLN A 143 2.674 22.944 -6.677 1.00 0.00 C ATOM 2229 CG GLN A 143 2.910 22.399 -5.245 1.00 0.00 C ATOM 2230 CD GLN A 143 2.542 23.396 -4.138 1.00 0.00 C ATOM 2231 OE1 GLN A 143 1.377 23.549 -3.774 1.00 0.00 O ATOM 2232 NE2 GLN A 143 3.524 24.083 -3.578 1.00 0.00 N ATOM 0 H GLN A 143 2.346 20.393 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 143 2.725 22.479 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.204 23.892 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.611 23.161 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.326 21.489 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.959 22.123 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.485 23.946 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.320 24.750 -2.834 1.00 0.00 H new ATOM 2241 N ASN A 144 5.386 21.027 -7.492 1.00 0.00 N ATOM 2242 CA ASN A 144 6.871 21.007 -7.525 1.00 0.00 C ATOM 2243 C ASN A 144 7.355 19.530 -7.414 1.00 0.00 C ATOM 2244 O ASN A 144 7.506 19.054 -6.287 1.00 0.00 O ATOM 2245 CB ASN A 144 7.563 21.967 -6.508 1.00 0.00 C ATOM 2246 CG ASN A 144 6.974 22.139 -5.090 1.00 0.00 C ATOM 2247 OD1 ASN A 144 6.317 23.136 -4.798 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.183 21.191 -4.193 1.00 0.00 N ATOM 0 H ASN A 144 4.975 20.232 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 144 7.187 21.418 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.593 21.631 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.599 22.955 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 144 6.798 21.285 -3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.729 20.366 -4.441 1.00 0.00 H new ATOM 2255 N PRO A 145 7.625 18.766 -8.512 1.00 0.00 N ATOM 2256 CA PRO A 145 8.103 17.361 -8.422 1.00 0.00 C ATOM 2257 C PRO A 145 9.626 17.269 -8.106 1.00 0.00 C ATOM 2258 O PRO A 145 10.432 18.043 -8.637 1.00 0.00 O ATOM 2259 CB PRO A 145 7.702 16.800 -9.801 1.00 0.00 C ATOM 2260 CG PRO A 145 7.709 17.996 -10.756 1.00 0.00 C ATOM 2261 CD PRO A 145 7.302 19.188 -9.889 1.00 0.00 C ATOM 0 HA PRO A 145 7.670 16.791 -7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.403 16.033 -10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 145 6.716 16.336 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 145 8.695 18.145 -11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 145 7.011 17.849 -11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 145 7.850 20.088 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 145 6.241 19.414 -9.997 1.00 0.00 H new ATOM 2269 N GLN A 146 9.996 16.321 -7.224 1.00 0.00 N ATOM 2270 CA GLN A 146 11.404 16.124 -6.780 1.00 0.00 C ATOM 2271 C GLN A 146 11.696 14.608 -6.490 1.00 0.00 C ATOM 2272 O GLN A 146 10.766 13.895 -6.098 1.00 0.00 O ATOM 2273 CB GLN A 146 11.768 17.058 -5.589 1.00 0.00 C ATOM 2274 CG GLN A 146 10.944 16.928 -4.281 1.00 0.00 C ATOM 2275 CD GLN A 146 10.077 18.156 -3.948 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.575 19.260 -3.732 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.768 18.000 -3.881 1.00 0.00 N ATOM 0 H GLN A 146 9.337 15.670 -6.797 1.00 0.00 H new ATOM 0 HA GLN A 146 12.063 16.416 -7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.816 16.889 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.684 18.088 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 146 10.298 16.053 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.628 16.746 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 146 8.354 17.085 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 146 8.171 18.794 -3.650 1.00 0.00 H new ATOM 2286 N PRO A 147 12.937 14.053 -6.673 1.00 0.00 N ATOM 2287 CA PRO A 147 13.191 12.584 -6.602 1.00 0.00 C ATOM 2288 C PRO A 147 13.113 12.016 -5.151 1.00 0.00 C ATOM 2289 O PRO A 147 13.787 12.504 -4.237 1.00 0.00 O ATOM 2290 CB PRO A 147 14.603 12.474 -7.211 1.00 0.00 C ATOM 2291 CG PRO A 147 15.276 13.824 -6.969 1.00 0.00 C ATOM 2292 CD PRO A 147 14.128 14.822 -7.096 1.00 0.00 C ATOM 0 HA PRO A 147 12.441 11.992 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.168 11.668 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.551 12.250 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.741 13.870 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 147 16.060 14.019 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 147 14.286 15.695 -6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 147 14.026 15.185 -8.119 1.00 0.00 H new ATOM 2300 N LEU A 148 12.247 11.008 -4.963 1.00 0.00 N ATOM 2301 CA LEU A 148 11.784 10.575 -3.608 1.00 0.00 C ATOM 2302 C LEU A 148 12.476 9.261 -3.146 1.00 0.00 C ATOM 2303 O LEU A 148 12.896 8.443 -3.966 1.00 0.00 O ATOM 2304 CB LEU A 148 10.239 10.367 -3.594 1.00 0.00 C ATOM 2305 CG LEU A 148 9.355 11.523 -4.135 1.00 0.00 C ATOM 2306 CD1 LEU A 148 7.940 11.039 -4.478 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.347 12.731 -3.182 1.00 0.00 C ATOM 0 H LEU A 148 11.844 10.467 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 148 12.057 11.371 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.015 9.472 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.936 10.165 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 148 9.803 11.867 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.350 11.875 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 148 7.996 10.263 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.467 10.634 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.717 13.518 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 148 8.955 12.426 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.363 13.106 -3.061 1.00 0.00 H new ATOM 2319 N ILE A 149 12.517 9.058 -1.819 1.00 0.00 N ATOM 2320 CA ILE A 149 13.085 7.839 -1.170 1.00 0.00 C ATOM 2321 C ILE A 149 11.938 6.810 -0.994 1.00 0.00 C ATOM 2322 O ILE A 149 11.013 7.034 -0.217 1.00 0.00 O ATOM 2323 CB ILE A 149 13.807 8.172 0.185 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.069 9.074 0.019 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.164 6.908 1.005 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.326 8.415 -0.568 1.00 0.00 C ATOM 0 H ILE A 149 12.155 9.737 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 149 13.860 7.411 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 149 13.068 8.745 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 149 14.801 9.918 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.325 9.481 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.660 7.202 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.253 6.358 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.830 6.272 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.128 9.151 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.638 7.591 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.105 8.035 -1.565 1.00 0.00 H new ATOM 2338 N PHE A 150 12.085 5.654 -1.650 1.00 0.00 N ATOM 2339 CA PHE A 150 11.137 4.521 -1.567 1.00 0.00 C ATOM 2340 C PHE A 150 11.839 3.429 -0.712 1.00 0.00 C ATOM 2341 O PHE A 150 12.680 2.674 -1.215 1.00 0.00 O ATOM 2342 CB PHE A 150 10.821 4.017 -3.007 1.00 0.00 C ATOM 2343 CG PHE A 150 10.065 4.976 -3.947 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.751 6.032 -4.558 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.696 4.831 -4.181 1.00 0.00 C ATOM 2346 CE1 PHE A 150 10.063 6.971 -5.313 1.00 0.00 C ATOM 2347 CE2 PHE A 150 8.010 5.772 -4.948 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.690 6.838 -5.516 1.00 0.00 C ATOM 0 H PHE A 150 12.877 5.469 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 150 10.188 4.799 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.764 3.752 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.238 3.100 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.821 6.116 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.166 3.986 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.593 7.807 -5.745 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.946 5.670 -5.100 1.00 0.00 H new ATOM 0 HZ PHE A 150 8.158 7.563 -6.114 1.00 0.00 H new ATOM 2358 N HIS A 151 11.480 3.353 0.586 1.00 0.00 N ATOM 2359 CA HIS A 151 11.936 2.265 1.486 1.00 0.00 C ATOM 2360 C HIS A 151 10.939 1.094 1.337 1.00 0.00 C ATOM 2361 O HIS A 151 9.873 1.086 1.958 1.00 0.00 O ATOM 2362 CB HIS A 151 12.091 2.758 2.953 1.00 0.00 C ATOM 2363 CG HIS A 151 12.590 1.759 4.024 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.368 2.134 5.105 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.301 0.377 4.128 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.522 0.927 5.733 1.00 0.00 C ATOM 2367 NE2 HIS A 151 12.914 -0.194 5.232 1.00 0.00 N ATOM 0 H HIS A 151 10.872 4.035 1.040 1.00 0.00 H new ATOM 0 HA HIS A 151 12.932 1.923 1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.777 3.605 2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.122 3.135 3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.679 -0.166 3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 151 14.125 0.858 6.626 1.00 0.00 H new ATOM 0 HE2 HIS A 151 12.913 -1.157 5.569 1.00 0.00 H new ATOM 2375 N MET A 152 11.354 0.077 0.573 1.00 0.00 N ATOM 2376 CA MET A 152 10.529 -1.126 0.312 1.00 0.00 C ATOM 2377 C MET A 152 11.103 -2.378 1.016 1.00 0.00 C ATOM 2378 O MET A 152 12.320 -2.546 1.141 1.00 0.00 O ATOM 2379 CB MET A 152 10.373 -1.339 -1.208 1.00 0.00 C ATOM 2380 CG MET A 152 9.556 -0.201 -1.831 1.00 0.00 C ATOM 2381 SD MET A 152 9.033 -0.585 -3.492 1.00 0.00 S ATOM 2382 CE MET A 152 7.877 0.782 -3.599 1.00 0.00 C ATOM 0 H MET A 152 12.266 0.057 0.116 1.00 0.00 H new ATOM 0 HA MET A 152 9.538 -0.963 0.736 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.356 -1.387 -1.677 1.00 0.00 H new ATOM 0 HB3 MET A 152 9.882 -2.293 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 152 8.681 -0.002 -1.212 1.00 0.00 H new ATOM 0 HG3 MET A 152 10.153 0.711 -1.841 1.00 0.00 H new ATOM 0 HE1 MET A 152 7.460 0.828 -4.605 1.00 0.00 H new ATOM 0 HE2 MET A 152 7.072 0.635 -2.878 1.00 0.00 H new ATOM 0 HE3 MET A 152 8.396 1.715 -3.379 1.00 0.00 H new ATOM 2392 N GLU A 153 10.189 -3.251 1.472 1.00 0.00 N ATOM 2393 CA GLU A 153 10.535 -4.442 2.272 1.00 0.00 C ATOM 2394 C GLU A 153 9.776 -5.621 1.613 1.00 0.00 C ATOM 2395 O GLU A 153 8.574 -5.779 1.833 1.00 0.00 O ATOM 2396 CB GLU A 153 10.236 -4.122 3.775 1.00 0.00 C ATOM 2397 CG GLU A 153 9.645 -5.253 4.632 1.00 0.00 C ATOM 2398 CD GLU A 153 9.784 -5.025 6.137 1.00 0.00 C ATOM 2399 OE1 GLU A 153 8.884 -4.396 6.738 1.00 0.00 O ATOM 2400 OE2 GLU A 153 10.795 -5.467 6.723 1.00 0.00 O ATOM 0 H GLU A 153 9.189 -3.152 1.297 1.00 0.00 H new ATOM 0 HA GLU A 153 11.586 -4.730 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 153 11.165 -3.795 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.548 -3.277 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.589 -5.367 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 153 10.136 -6.190 4.369 1.00 0.00 H new ATOM 2407 N MET A 154 10.480 -6.473 0.842 1.00 0.00 N ATOM 2408 CA MET A 154 9.892 -7.710 0.271 1.00 0.00 C ATOM 2409 C MET A 154 9.649 -8.780 1.365 1.00 0.00 C ATOM 2410 O MET A 154 10.506 -9.050 2.208 1.00 0.00 O ATOM 2411 CB MET A 154 10.757 -8.241 -0.896 1.00 0.00 C ATOM 2412 CG MET A 154 10.059 -9.256 -1.826 1.00 0.00 C ATOM 2413 SD MET A 154 8.615 -8.543 -2.642 1.00 0.00 S ATOM 2414 CE MET A 154 9.379 -7.329 -3.738 1.00 0.00 C ATOM 0 H MET A 154 11.460 -6.330 0.597 1.00 0.00 H new ATOM 0 HA MET A 154 8.913 -7.465 -0.141 1.00 0.00 H new ATOM 0 HB2 MET A 154 11.089 -7.393 -1.495 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.650 -8.708 -0.481 1.00 0.00 H new ATOM 0 HG2 MET A 154 10.766 -9.604 -2.579 1.00 0.00 H new ATOM 0 HG3 MET A 154 9.755 -10.128 -1.247 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.643 -6.979 -4.462 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.740 -6.485 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.215 -7.789 -4.264 1.00 0.00 H new ATOM 2424 N LEU A 155 8.444 -9.357 1.308 1.00 0.00 N ATOM 2425 CA LEU A 155 8.008 -10.478 2.183 1.00 0.00 C ATOM 2426 C LEU A 155 7.687 -11.743 1.335 1.00 0.00 C ATOM 2427 O LEU A 155 8.307 -12.788 1.560 1.00 0.00 O ATOM 2428 CB LEU A 155 6.891 -10.091 3.206 1.00 0.00 C ATOM 2429 CG LEU A 155 5.868 -8.968 2.834 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.423 -9.322 3.204 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.265 -7.623 3.467 1.00 0.00 C ATOM 0 H LEU A 155 7.725 -9.062 0.647 1.00 0.00 H new ATOM 0 HA LEU A 155 8.851 -10.731 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 155 6.321 -10.994 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.384 -9.792 4.131 1.00 0.00 H new ATOM 0 HG LEU A 155 5.905 -8.877 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.763 -8.502 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 155 4.124 -10.228 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.353 -9.488 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.536 -6.862 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.290 -7.725 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.251 -7.328 3.107 1.00 0.00 H new ATOM 2443 N LYS A 156 6.725 -11.661 0.393 1.00 0.00 N ATOM 2444 CA LYS A 156 6.348 -12.782 -0.505 1.00 0.00 C ATOM 2445 C LYS A 156 6.180 -12.241 -1.943 1.00 0.00 C ATOM 2446 O LYS A 156 5.747 -11.110 -2.173 1.00 0.00 O ATOM 2447 CB LYS A 156 5.039 -13.509 -0.084 1.00 0.00 C ATOM 2448 CG LYS A 156 5.118 -14.311 1.232 1.00 0.00 C ATOM 2449 CD LYS A 156 4.685 -13.512 2.484 1.00 0.00 C ATOM 2450 CE LYS A 156 5.499 -13.803 3.756 1.00 0.00 C ATOM 2451 NZ LYS A 156 5.229 -15.132 4.333 1.00 0.00 N ATOM 0 H LYS A 156 6.183 -10.813 0.230 1.00 0.00 H new ATOM 0 HA LYS A 156 7.151 -13.517 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.246 -12.767 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 156 4.747 -14.187 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 156 4.489 -15.197 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.141 -14.659 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 156 4.758 -12.448 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 156 3.635 -13.724 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 156 6.561 -13.725 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 156 5.278 -13.040 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 5.809 -15.264 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 4.222 -15.204 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 5.465 -15.867 3.637 1.00 0.00 H new ATOM 2465 N VAL A 157 6.511 -13.091 -2.922 1.00 0.00 N ATOM 2466 CA VAL A 157 6.447 -12.739 -4.359 1.00 0.00 C ATOM 2467 C VAL A 157 6.314 -14.062 -5.173 1.00 0.00 C ATOM 2468 O VAL A 157 7.065 -15.026 -4.982 1.00 0.00 O ATOM 2469 CB VAL A 157 7.566 -11.741 -4.812 1.00 0.00 C ATOM 2470 CG1 VAL A 157 9.008 -12.092 -4.396 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.489 -11.440 -6.315 1.00 0.00 C ATOM 0 H VAL A 157 6.832 -14.044 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 157 5.558 -12.145 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 157 7.335 -10.839 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.690 -11.327 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 157 9.072 -12.138 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.283 -13.059 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.282 -10.744 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.609 -12.366 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.521 -10.996 -6.548 1.00 0.00 H new ATOM 2481 N GLU A 158 5.315 -14.069 -6.073 1.00 0.00 N ATOM 2482 CA GLU A 158 4.800 -15.293 -6.734 1.00 0.00 C ATOM 2483 C GLU A 158 4.837 -15.136 -8.280 1.00 0.00 C ATOM 2484 O GLU A 158 4.593 -14.056 -8.828 1.00 0.00 O ATOM 2485 CB GLU A 158 3.338 -15.532 -6.271 1.00 0.00 C ATOM 2486 CG GLU A 158 3.153 -16.061 -4.834 1.00 0.00 C ATOM 2487 CD GLU A 158 1.679 -16.334 -4.525 1.00 0.00 C ATOM 2488 OE1 GLU A 158 0.972 -15.403 -4.076 1.00 0.00 O ATOM 2489 OE2 GLU A 158 1.215 -17.474 -4.747 1.00 0.00 O ATOM 0 H GLU A 158 4.834 -13.219 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 158 5.427 -16.141 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.793 -14.593 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 158 2.873 -16.239 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 158 3.729 -16.977 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 158 3.547 -15.334 -4.124 1.00 0.00 H new ATOM 2496 N SER A 159 5.099 -16.258 -8.973 1.00 0.00 N ATOM 2497 CA SER A 159 5.141 -16.310 -10.460 1.00 0.00 C ATOM 2498 C SER A 159 3.785 -16.769 -11.108 1.00 0.00 C ATOM 2499 O SER A 159 2.997 -17.440 -10.434 1.00 0.00 O ATOM 2500 CB SER A 159 6.290 -17.262 -10.872 1.00 0.00 C ATOM 2501 OG SER A 159 7.560 -16.720 -10.530 1.00 0.00 O ATOM 0 H SER A 159 5.288 -17.156 -8.528 1.00 0.00 H new ATOM 0 HA SER A 159 5.313 -15.300 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.160 -18.226 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.247 -17.443 -11.946 1.00 0.00 H new ATOM 0 HG SER A 159 8.039 -16.469 -11.347 1.00 0.00 H new ATOM 2507 N PRO A 160 3.464 -16.449 -12.404 1.00 0.00 N ATOM 2508 CA PRO A 160 2.162 -16.787 -13.046 1.00 0.00 C ATOM 2509 C PRO A 160 1.970 -18.311 -13.276 1.00 0.00 C ATOM 2510 O PRO A 160 2.764 -18.962 -13.965 1.00 0.00 O ATOM 2511 CB PRO A 160 2.178 -15.962 -14.351 1.00 0.00 C ATOM 2512 CG PRO A 160 3.649 -15.655 -14.627 1.00 0.00 C ATOM 2513 CD PRO A 160 4.265 -15.538 -13.233 1.00 0.00 C ATOM 0 HA PRO A 160 1.309 -16.540 -12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.734 -16.522 -15.174 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.600 -15.044 -14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 160 4.121 -16.448 -15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 160 3.765 -14.732 -15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.316 -15.825 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.216 -14.515 -12.861 1.00 0.00 H new ATOM 2521 N GLY A 161 0.934 -18.853 -12.623 1.00 0.00 N ATOM 2522 CA GLY A 161 0.851 -20.300 -12.329 1.00 0.00 C ATOM 2523 C GLY A 161 0.414 -20.565 -10.876 1.00 0.00 C ATOM 2524 O GLY A 161 -0.571 -21.273 -10.649 1.00 0.00 O ATOM 0 H GLY A 161 0.137 -18.314 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 161 0.144 -20.770 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.822 -20.763 -12.507 1.00 0.00 H new ATOM 2528 N THR A 162 1.165 -20.002 -9.910 1.00 0.00 N ATOM 2529 CA THR A 162 0.830 -20.062 -8.464 1.00 0.00 C ATOM 2530 C THR A 162 -0.057 -18.881 -7.957 1.00 0.00 C ATOM 2531 O THR A 162 -0.870 -19.117 -7.057 1.00 0.00 O ATOM 2532 CB THR A 162 2.117 -20.328 -7.623 1.00 0.00 C ATOM 2533 OG1 THR A 162 1.781 -20.451 -6.244 1.00 0.00 O ATOM 2534 CG2 THR A 162 3.262 -19.306 -7.754 1.00 0.00 C ATOM 0 H THR A 162 2.025 -19.490 -10.106 1.00 0.00 H new ATOM 0 HA THR A 162 0.171 -20.917 -8.314 1.00 0.00 H new ATOM 0 HB THR A 162 2.509 -21.252 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.594 -20.619 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 162 4.094 -19.609 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.594 -19.263 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 162 2.909 -18.322 -7.445 1.00 0.00 H new ATOM 2542 N TYR A 163 0.073 -17.644 -8.493 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.666 -16.466 -7.967 1.00 0.00 C ATOM 2544 C TYR A 163 -2.166 -16.419 -8.387 1.00 0.00 C ATOM 2545 O TYR A 163 -2.521 -16.786 -9.511 1.00 0.00 O ATOM 2546 CB TYR A 163 0.118 -15.151 -8.229 1.00 0.00 C ATOM 2547 CG TYR A 163 0.055 -14.414 -9.585 1.00 0.00 C ATOM 2548 CD1 TYR A 163 -1.060 -13.639 -9.924 1.00 0.00 C ATOM 2549 CD2 TYR A 163 1.194 -14.349 -10.393 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -1.045 -12.834 -11.060 1.00 0.00 C ATOM 2551 CE2 TYR A 163 1.208 -13.549 -11.532 1.00 0.00 C ATOM 2552 CZ TYR A 163 0.093 -12.787 -11.863 1.00 0.00 C ATOM 2553 OH TYR A 163 0.130 -11.969 -12.962 1.00 0.00 O ATOM 0 H TYR A 163 0.679 -17.434 -9.286 1.00 0.00 H new ATOM 0 HA TYR A 163 -0.720 -16.581 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.202 -14.438 -7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.169 -15.369 -8.039 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.940 -13.666 -9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.070 -14.924 -10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -1.914 -12.247 -11.318 1.00 0.00 H new ATOM 0 HE2 TYR A 163 2.086 -13.520 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 163 -0.436 -11.185 -12.805 1.00 0.00 H new