USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 89 SER OG : rot 66:sc= 1.27 USER MOD Set 1.2: A 93 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.1: A 42 SER OG : rot -138:sc= 1.25 USER MOD Set 2.2: A 45 ASN : amide:sc= -0.205 K(o=1,f=-3.8!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0.793 USER MOD Set 3.2: A 104 LYS NZ :NH3+ -179:sc= 0.938 (180deg=-0.0509) USER MOD Single : A 7 LYS NZ :NH3+ -131:sc= 2.29 (180deg=-1.25) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.94) USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 0.682 (180deg=-1.31) USER MOD Single : A 18 CYS SG : rot 75:sc= -3.26! USER MOD Single : A 20 SER OG : rot 84:sc= 1.21 USER MOD Single : A 28 THR OG1 : rot 73:sc= -0.85 USER MOD Single : A 38 ASN : amide:sc= 0.175 K(o=0.18,f=-1.7!) USER MOD Single : A 41 THR OG1 : rot 34:sc= 1.27 USER MOD Single : A 47 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.14 K(o=1.1,f=-0.037) USER MOD Single : A 54 HIS : no HE2:sc= -0.052 K(o=-0.052,f=-1) USER MOD Single : A 57 SER OG : rot 77:sc= 1.04 USER MOD Single : A 60 MET CE :methyl 144:sc= -2.98 (180deg=-4.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.15 (180deg=1.04) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 0.917 (180deg=0.0412) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -101:sc= -0.883! USER MOD Single : A 79 TYR OH : rot -66:sc= -1.13! USER MOD Single : A 83 THR OG1 : rot 87:sc= 0.891 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 88 SER OG : rot 87:sc= 1.08 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.45) USER MOD Single : A 101 GLN : amide:sc= -0.236 K(o=-0.24,f=-3.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 168:sc= 1.18 USER MOD Single : A 112 SER OG : rot 76:sc= 1.2 USER MOD Single : A 115 TYR OH : rot 114:sc= 1.27 USER MOD Single : A 117 SER OG : rot 125:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -7.101 -16.889 -3.480 1.00 0.00 N ATOM 92 CA LYS A 7 -6.010 -15.891 -3.530 1.00 0.00 C ATOM 93 C LYS A 7 -6.346 -14.775 -4.523 1.00 0.00 C ATOM 94 O LYS A 7 -6.082 -13.603 -4.265 1.00 0.00 O ATOM 95 CB LYS A 7 -4.664 -16.529 -3.888 1.00 0.00 C ATOM 96 CG LYS A 7 -3.451 -15.665 -3.527 1.00 0.00 C ATOM 97 CD LYS A 7 -2.692 -16.211 -2.313 1.00 0.00 C ATOM 98 CE LYS A 7 -2.520 -15.151 -1.214 1.00 0.00 C ATOM 99 NZ LYS A 7 -1.908 -13.890 -1.703 1.00 0.00 N ATOM 0 HA LYS A 7 -5.918 -15.465 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.580 -17.488 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.645 -16.736 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.777 -15.613 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.781 -14.647 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.227 -17.069 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.712 -16.567 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.494 -14.929 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.900 -15.562 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.128 -13.615 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.541 -14.033 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.626 -13.137 -1.714 1.00 0.00 H new ATOM 113 N ARG A 8 -6.986 -15.143 -5.639 1.00 0.00 N ATOM 114 CA ARG A 8 -7.420 -14.167 -6.632 1.00 0.00 C ATOM 115 C ARG A 8 -8.179 -12.994 -6.001 1.00 0.00 C ATOM 116 O ARG A 8 -8.024 -11.843 -6.444 1.00 0.00 O ATOM 117 CB ARG A 8 -8.243 -14.822 -7.726 1.00 0.00 C ATOM 118 CG ARG A 8 -9.401 -15.633 -7.225 1.00 0.00 C ATOM 119 CD ARG A 8 -10.601 -15.409 -8.108 1.00 0.00 C ATOM 120 NE ARG A 8 -10.348 -15.845 -9.497 1.00 0.00 N ATOM 121 CZ ARG A 8 -10.525 -15.078 -10.604 1.00 0.00 C ATOM 122 NH1 ARG A 8 -11.008 -13.830 -10.499 1.00 0.00 N ATOM 123 NH2 ARG A 8 -10.222 -15.573 -11.807 1.00 0.00 N ATOM 0 H ARG A 8 -7.212 -16.110 -5.872 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.517 -13.757 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.619 -14.048 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.592 -15.466 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.138 -16.691 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.636 -15.353 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.455 -15.954 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.865 -14.352 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.014 -16.799 -9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.245 -13.450 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.138 -13.261 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.860 -16.523 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.353 -15.001 -12.641 1.00 0.00 H new ATOM 137 N HIS A 9 -8.953 -13.278 -4.938 1.00 0.00 N ATOM 138 CA HIS A 9 -9.684 -12.243 -4.218 1.00 0.00 C ATOM 139 C HIS A 9 -8.722 -11.291 -3.536 1.00 0.00 C ATOM 140 O HIS A 9 -8.802 -10.068 -3.746 1.00 0.00 O ATOM 141 CB HIS A 9 -10.643 -12.845 -3.166 1.00 0.00 C ATOM 142 CG HIS A 9 -11.970 -13.257 -3.717 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.129 -13.292 -2.963 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.328 -13.652 -4.963 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.133 -13.691 -3.723 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.673 -13.915 -4.943 1.00 0.00 N ATOM 0 H HIS A 9 -9.082 -14.219 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.279 -11.699 -4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.166 -13.712 -2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.802 -12.114 -2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.673 -13.743 -5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.157 -13.814 -3.402 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.228 -14.231 -5.738 1.00 0.00 H new ATOM 155 N ASP A 10 -7.781 -11.839 -2.747 1.00 0.00 N ATOM 156 CA ASP A 10 -6.811 -10.990 -2.049 1.00 0.00 C ATOM 157 C ASP A 10 -5.905 -10.259 -3.015 1.00 0.00 C ATOM 158 O ASP A 10 -5.686 -9.061 -2.856 1.00 0.00 O ATOM 159 CB ASP A 10 -6.010 -11.717 -0.937 1.00 0.00 C ATOM 160 CG ASP A 10 -5.209 -12.904 -1.390 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.242 -12.740 -2.135 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.530 -14.011 -0.946 1.00 0.00 O ATOM 0 H ASP A 10 -7.675 -12.840 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.409 -10.245 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.333 -11.000 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.707 -12.044 -0.165 1.00 0.00 H new ATOM 167 N VAL A 11 -5.424 -10.945 -4.045 1.00 0.00 N ATOM 168 CA VAL A 11 -4.588 -10.294 -5.051 1.00 0.00 C ATOM 169 C VAL A 11 -5.335 -9.082 -5.654 1.00 0.00 C ATOM 170 O VAL A 11 -4.867 -7.933 -5.544 1.00 0.00 O ATOM 171 CB VAL A 11 -4.135 -11.276 -6.185 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.051 -10.645 -7.042 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.635 -12.601 -5.605 1.00 0.00 C ATOM 0 H VAL A 11 -5.594 -11.938 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.683 -9.953 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.005 -11.480 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.751 -11.344 -7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.434 -9.733 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.189 -10.405 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.328 -13.261 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.785 -12.413 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.435 -13.074 -5.036 1.00 0.00 H new ATOM 183 N ALA A 12 -6.525 -9.337 -6.237 1.00 0.00 N ATOM 184 CA ALA A 12 -7.350 -8.261 -6.820 1.00 0.00 C ATOM 185 C ALA A 12 -7.639 -7.165 -5.796 1.00 0.00 C ATOM 186 O ALA A 12 -7.472 -5.974 -6.087 1.00 0.00 O ATOM 187 CB ALA A 12 -8.653 -8.810 -7.396 1.00 0.00 C ATOM 0 H ALA A 12 -6.932 -10.269 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.777 -7.821 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.238 -7.992 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.428 -9.536 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.225 -9.295 -6.605 1.00 0.00 H new ATOM 193 N GLN A 13 -8.052 -7.565 -4.590 1.00 0.00 N ATOM 194 CA GLN A 13 -8.326 -6.602 -3.527 1.00 0.00 C ATOM 195 C GLN A 13 -7.065 -5.790 -3.194 1.00 0.00 C ATOM 196 O GLN A 13 -7.137 -4.570 -3.043 1.00 0.00 O ATOM 197 CB GLN A 13 -8.864 -7.302 -2.263 1.00 0.00 C ATOM 198 CG GLN A 13 -10.378 -7.531 -2.267 1.00 0.00 C ATOM 199 CD GLN A 13 -10.777 -8.847 -1.615 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.399 -9.712 -2.253 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.442 -9.013 -0.349 1.00 0.00 N ATOM 0 H GLN A 13 -8.202 -8.540 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.096 -5.919 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.363 -8.264 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.601 -6.704 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.867 -6.709 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.741 -7.515 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.931 -8.281 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.694 -9.874 0.137 1.00 0.00 H new ATOM 210 N LEU A 14 -5.907 -6.471 -3.097 1.00 0.00 N ATOM 211 CA LEU A 14 -4.637 -5.804 -2.776 1.00 0.00 C ATOM 212 C LEU A 14 -4.358 -4.664 -3.725 1.00 0.00 C ATOM 213 O LEU A 14 -4.160 -3.527 -3.277 1.00 0.00 O ATOM 214 CB LEU A 14 -3.452 -6.793 -2.747 1.00 0.00 C ATOM 215 CG LEU A 14 -2.259 -6.396 -1.853 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.708 -6.084 -0.435 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.218 -7.496 -1.833 1.00 0.00 C ATOM 0 H LEU A 14 -5.828 -7.478 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.744 -5.393 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.822 -7.763 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.089 -6.923 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.817 -5.495 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.843 -5.808 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.418 -5.257 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.186 -6.963 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.385 -7.197 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.663 -8.411 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.856 -7.673 -2.846 1.00 0.00 H new ATOM 229 N LYS A 15 -4.364 -4.946 -5.038 1.00 0.00 N ATOM 230 CA LYS A 15 -4.126 -3.883 -6.017 1.00 0.00 C ATOM 231 C LYS A 15 -5.127 -2.753 -5.824 1.00 0.00 C ATOM 232 O LYS A 15 -4.727 -1.612 -5.671 1.00 0.00 O ATOM 233 CB LYS A 15 -4.119 -4.385 -7.481 1.00 0.00 C ATOM 234 CG LYS A 15 -5.206 -5.393 -7.830 1.00 0.00 C ATOM 235 CD LYS A 15 -5.413 -5.516 -9.339 1.00 0.00 C ATOM 236 CE LYS A 15 -6.119 -4.290 -9.943 1.00 0.00 C ATOM 237 NZ LYS A 15 -7.308 -3.837 -9.167 1.00 0.00 N ATOM 0 H LYS A 15 -4.526 -5.872 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.121 -3.504 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.219 -3.525 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.149 -4.836 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.941 -6.368 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.142 -5.093 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.446 -5.649 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.001 -6.409 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.406 -3.468 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.430 -4.526 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.077 -3.591 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.623 -4.601 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.055 -3.002 -8.600 1.00 0.00 H new ATOM 251 N PHE A 16 -6.427 -3.094 -5.722 1.00 0.00 N ATOM 252 CA PHE A 16 -7.471 -2.085 -5.466 1.00 0.00 C ATOM 253 C PHE A 16 -7.143 -1.254 -4.230 1.00 0.00 C ATOM 254 O PHE A 16 -7.131 -0.010 -4.291 1.00 0.00 O ATOM 255 CB PHE A 16 -8.858 -2.729 -5.321 1.00 0.00 C ATOM 256 CG PHE A 16 -9.481 -3.108 -6.632 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.695 -2.154 -7.608 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.841 -4.414 -6.896 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.253 -2.492 -8.813 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.399 -4.761 -8.102 1.00 0.00 C ATOM 261 CZ PHE A 16 -10.606 -3.798 -9.063 1.00 0.00 C ATOM 0 H PHE A 16 -6.775 -4.049 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.495 -1.423 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.773 -3.619 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.519 -2.036 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.419 -1.127 -7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.682 -5.173 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.415 -1.734 -9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.675 -5.787 -8.296 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.045 -4.067 -10.012 1.00 0.00 H new ATOM 271 N LEU A 17 -6.843 -1.921 -3.108 1.00 0.00 N ATOM 272 CA LEU A 17 -6.466 -1.206 -1.878 1.00 0.00 C ATOM 273 C LEU A 17 -5.303 -0.248 -2.172 1.00 0.00 C ATOM 274 O LEU A 17 -5.355 0.944 -1.815 1.00 0.00 O ATOM 275 CB LEU A 17 -6.069 -2.189 -0.750 1.00 0.00 C ATOM 276 CG LEU A 17 -7.187 -2.611 0.234 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.999 -1.410 0.708 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.093 -3.661 -0.393 1.00 0.00 C ATOM 0 H LEU A 17 -6.853 -2.938 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.332 -0.638 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.665 -3.090 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.262 -1.737 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.706 -3.050 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.775 -1.744 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.342 -0.704 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.462 -0.922 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.871 -3.942 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.554 -3.254 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.505 -4.541 -0.653 1.00 0.00 H new ATOM 290 N CYS A 18 -4.288 -0.761 -2.885 1.00 0.00 N ATOM 291 CA CYS A 18 -3.136 0.043 -3.292 1.00 0.00 C ATOM 292 C CYS A 18 -3.578 1.189 -4.198 1.00 0.00 C ATOM 293 O CYS A 18 -3.343 2.344 -3.874 1.00 0.00 O ATOM 294 CB CYS A 18 -2.077 -0.823 -3.989 1.00 0.00 C ATOM 295 SG CYS A 18 -1.516 -2.235 -3.005 1.00 0.00 S ATOM 0 H CYS A 18 -4.247 -1.733 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.684 0.466 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.485 -1.189 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.217 -0.200 -4.234 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.438 -3.151 -2.995 1.00 0.00 H new ATOM 301 N GLU A 19 -4.261 0.856 -5.306 1.00 0.00 N ATOM 302 CA GLU A 19 -4.795 1.853 -6.250 1.00 0.00 C ATOM 303 C GLU A 19 -5.557 2.964 -5.507 1.00 0.00 C ATOM 304 O GLU A 19 -5.371 4.156 -5.789 1.00 0.00 O ATOM 305 CB GLU A 19 -5.727 1.170 -7.268 1.00 0.00 C ATOM 306 CG GLU A 19 -5.035 0.145 -8.161 1.00 0.00 C ATOM 307 CD GLU A 19 -5.955 -0.429 -9.184 1.00 0.00 C ATOM 308 OE1 GLU A 19 -6.716 -1.346 -8.859 1.00 0.00 O ATOM 309 OE2 GLU A 19 -5.927 0.034 -10.320 1.00 0.00 O ATOM 0 H GLU A 19 -4.458 -0.109 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.955 2.306 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.537 0.678 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.182 1.935 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.188 0.615 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.635 -0.659 -7.544 1.00 0.00 H new ATOM 316 N SER A 20 -6.396 2.565 -4.551 1.00 0.00 N ATOM 317 CA SER A 20 -7.166 3.514 -3.750 1.00 0.00 C ATOM 318 C SER A 20 -6.225 4.430 -2.946 1.00 0.00 C ATOM 319 O SER A 20 -6.271 5.665 -3.098 1.00 0.00 O ATOM 320 CB SER A 20 -8.152 2.781 -2.808 1.00 0.00 C ATOM 321 OG SER A 20 -8.811 1.685 -3.479 1.00 0.00 O ATOM 0 H SER A 20 -6.559 1.587 -4.313 1.00 0.00 H new ATOM 0 HA SER A 20 -7.752 4.131 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.614 2.405 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.898 3.486 -2.441 1.00 0.00 H new ATOM 0 HG SER A 20 -8.238 0.890 -3.447 1.00 0.00 H new ATOM 327 N LEU A 21 -5.347 3.828 -2.124 1.00 0.00 N ATOM 328 CA LEU A 21 -4.381 4.604 -1.320 1.00 0.00 C ATOM 329 C LEU A 21 -3.457 5.434 -2.209 1.00 0.00 C ATOM 330 O LEU A 21 -3.160 6.583 -1.886 1.00 0.00 O ATOM 331 CB LEU A 21 -3.563 3.696 -0.389 1.00 0.00 C ATOM 332 CG LEU A 21 -2.656 4.418 0.626 1.00 0.00 C ATOM 333 CD1 LEU A 21 -3.041 4.064 2.047 1.00 0.00 C ATOM 334 CD2 LEU A 21 -1.196 4.083 0.376 1.00 0.00 C ATOM 0 H LEU A 21 -5.285 2.818 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.958 5.288 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.253 3.055 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.942 3.044 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.794 5.491 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.385 4.587 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.074 4.361 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.942 2.988 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.573 4.603 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.047 3.008 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.918 4.397 -0.630 1.00 0.00 H new ATOM 346 N TYR A 22 -3.020 4.844 -3.323 1.00 0.00 N ATOM 347 CA TYR A 22 -2.146 5.507 -4.307 1.00 0.00 C ATOM 348 C TYR A 22 -2.592 6.950 -4.544 1.00 0.00 C ATOM 349 O TYR A 22 -1.776 7.882 -4.496 1.00 0.00 O ATOM 350 CB TYR A 22 -2.211 4.750 -5.649 1.00 0.00 C ATOM 351 CG TYR A 22 -0.919 4.693 -6.429 1.00 0.00 C ATOM 352 CD1 TYR A 22 -0.411 5.814 -7.072 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.222 3.506 -6.542 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.759 5.743 -7.801 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.942 3.426 -7.266 1.00 0.00 C ATOM 356 CZ TYR A 22 1.429 4.541 -7.893 1.00 0.00 C ATOM 357 OH TYR A 22 2.604 4.456 -8.613 1.00 0.00 O ATOM 0 H TYR A 22 -3.261 3.885 -3.574 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.129 5.504 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.543 3.730 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.971 5.219 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.938 6.754 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.601 2.622 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.147 6.622 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.471 2.487 -7.340 1.00 0.00 H new ATOM 0 HH TYR A 22 2.946 3.538 -8.574 1.00 0.00 H new ATOM 367 N ASP A 23 -3.900 7.123 -4.790 1.00 0.00 N ATOM 368 CA ASP A 23 -4.465 8.445 -5.067 1.00 0.00 C ATOM 369 C ASP A 23 -4.503 9.289 -3.814 1.00 0.00 C ATOM 370 O ASP A 23 -3.976 10.410 -3.802 1.00 0.00 O ATOM 371 CB ASP A 23 -5.873 8.331 -5.676 1.00 0.00 C ATOM 372 CG ASP A 23 -6.499 9.658 -5.953 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.091 10.318 -6.907 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.409 10.039 -5.228 1.00 0.00 O ATOM 0 H ASP A 23 -4.581 6.364 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.817 8.934 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.816 7.762 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.513 7.769 -4.996 1.00 0.00 H new ATOM 379 N GLU A 24 -5.098 8.741 -2.748 1.00 0.00 N ATOM 380 CA GLU A 24 -5.180 9.449 -1.456 1.00 0.00 C ATOM 381 C GLU A 24 -3.785 9.926 -1.024 1.00 0.00 C ATOM 382 O GLU A 24 -3.620 11.055 -0.532 1.00 0.00 O ATOM 383 CB GLU A 24 -5.797 8.556 -0.347 1.00 0.00 C ATOM 384 CG GLU A 24 -7.010 7.709 -0.762 1.00 0.00 C ATOM 385 CD GLU A 24 -8.316 8.387 -0.498 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.620 8.683 0.660 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.044 8.629 -1.454 1.00 0.00 O ATOM 0 H GLU A 24 -5.528 7.816 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.834 10.310 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.022 7.887 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.093 9.196 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.937 7.476 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.984 6.761 -0.225 1.00 0.00 H new ATOM 394 N GLY A 25 -2.791 9.058 -1.203 1.00 0.00 N ATOM 395 CA GLY A 25 -1.436 9.379 -0.839 1.00 0.00 C ATOM 396 C GLY A 25 -0.876 10.493 -1.665 1.00 0.00 C ATOM 397 O GLY A 25 -0.557 11.540 -1.121 1.00 0.00 O ATOM 0 H GLY A 25 -2.912 8.126 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.401 9.657 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.811 8.493 -0.955 1.00 0.00 H new ATOM 401 N ILE A 26 -0.789 10.298 -2.993 1.00 0.00 N ATOM 402 CA ILE A 26 -0.275 11.349 -3.894 1.00 0.00 C ATOM 403 C ILE A 26 -1.014 12.676 -3.654 1.00 0.00 C ATOM 404 O ILE A 26 -0.380 13.728 -3.479 1.00 0.00 O ATOM 405 CB ILE A 26 -0.388 10.943 -5.409 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.425 9.675 -5.702 1.00 0.00 C ATOM 407 CG2 ILE A 26 0.079 12.074 -6.324 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.934 9.898 -5.691 1.00 0.00 C ATOM 0 H ILE A 26 -1.063 9.435 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 26 0.783 11.475 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.440 10.743 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.174 8.914 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.132 9.283 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.012 11.761 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.538 12.957 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.120 12.312 -6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.442 8.958 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.198 10.635 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.241 10.260 -4.710 1.00 0.00 H new ATOM 420 N ALA A 27 -2.349 12.609 -3.601 1.00 0.00 N ATOM 421 CA ALA A 27 -3.176 13.792 -3.364 1.00 0.00 C ATOM 422 C ALA A 27 -2.766 14.511 -2.084 1.00 0.00 C ATOM 423 O ALA A 27 -2.673 15.749 -2.063 1.00 0.00 O ATOM 424 CB ALA A 27 -4.661 13.424 -3.308 1.00 0.00 C ATOM 0 H ALA A 27 -2.878 11.745 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.017 14.470 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.252 14.323 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.960 12.974 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.829 12.713 -2.499 1.00 0.00 H new ATOM 430 N THR A 28 -2.550 13.751 -1.015 1.00 0.00 N ATOM 431 CA THR A 28 -2.198 14.338 0.274 1.00 0.00 C ATOM 432 C THR A 28 -0.698 14.634 0.402 1.00 0.00 C ATOM 433 O THR A 28 -0.316 15.713 0.867 1.00 0.00 O ATOM 434 CB THR A 28 -2.683 13.445 1.419 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.968 12.928 1.146 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.738 14.151 2.755 1.00 0.00 C ATOM 0 H THR A 28 -2.612 12.733 -1.015 1.00 0.00 H new ATOM 0 HA THR A 28 -2.707 15.300 0.337 1.00 0.00 H new ATOM 0 HB THR A 28 -1.946 12.645 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.903 12.241 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.090 13.458 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.742 14.507 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.421 14.998 2.691 1.00 0.00 H new ATOM 444 N LEU A 29 0.149 13.677 0.016 1.00 0.00 N ATOM 445 CA LEU A 29 1.595 13.846 0.128 1.00 0.00 C ATOM 446 C LEU A 29 2.109 14.938 -0.803 1.00 0.00 C ATOM 447 O LEU A 29 3.150 15.533 -0.536 1.00 0.00 O ATOM 448 CB LEU A 29 2.328 12.537 -0.182 1.00 0.00 C ATOM 449 CG LEU A 29 2.047 11.365 0.756 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.413 10.040 0.113 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.773 11.540 2.075 1.00 0.00 C ATOM 0 H LEU A 29 -0.142 12.781 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 29 1.797 14.140 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.070 12.233 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.400 12.734 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 29 0.975 11.353 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.200 9.227 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.828 9.903 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.474 10.037 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.556 10.692 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.847 11.594 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.439 12.460 2.555 1.00 0.00 H new ATOM 576 N ASN A 38 1.436 19.570 6.813 1.00 0.00 N ATOM 577 CA ASN A 38 0.244 18.740 6.639 1.00 0.00 C ATOM 578 C ASN A 38 -0.313 18.384 7.999 1.00 0.00 C ATOM 579 O ASN A 38 0.435 18.358 8.986 1.00 0.00 O ATOM 580 CB ASN A 38 0.559 17.446 5.856 1.00 0.00 C ATOM 581 CG ASN A 38 -0.204 17.364 4.546 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.259 17.995 4.390 1.00 0.00 O ATOM 583 ND2 ASN A 38 0.316 16.610 3.592 1.00 0.00 N ATOM 0 HA ASN A 38 -0.487 19.308 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.629 17.398 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.312 16.582 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.154 16.533 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.187 16.105 3.758 1.00 0.00 H new ATOM 590 N ASP A 39 -1.608 18.095 8.066 1.00 0.00 N ATOM 591 CA ASP A 39 -2.218 17.716 9.333 1.00 0.00 C ATOM 592 C ASP A 39 -2.244 16.223 9.467 1.00 0.00 C ATOM 593 O ASP A 39 -3.007 15.560 8.759 1.00 0.00 O ATOM 594 CB ASP A 39 -3.651 18.251 9.478 1.00 0.00 C ATOM 595 CG ASP A 39 -4.058 18.347 10.919 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.761 19.365 11.546 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.670 17.410 11.432 1.00 0.00 O ATOM 0 H ASP A 39 -2.246 18.115 7.271 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.609 18.160 10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.723 19.234 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.341 17.595 8.947 1.00 0.00 H new ATOM 602 N PRO A 40 -1.465 15.647 10.410 1.00 0.00 N ATOM 603 CA PRO A 40 -1.485 14.198 10.655 1.00 0.00 C ATOM 604 C PRO A 40 -2.924 13.679 10.820 1.00 0.00 C ATOM 605 O PRO A 40 -3.219 12.524 10.484 1.00 0.00 O ATOM 606 CB PRO A 40 -0.703 14.046 11.964 1.00 0.00 C ATOM 607 CG PRO A 40 0.207 15.229 11.998 1.00 0.00 C ATOM 608 CD PRO A 40 -0.551 16.353 11.341 1.00 0.00 C ATOM 0 HA PRO A 40 -1.058 13.628 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.371 14.034 12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.141 13.112 11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.475 15.486 13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.136 15.022 11.467 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.100 16.948 12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.116 17.033 10.812 1.00 0.00 H new ATOM 616 N THR A 41 -3.818 14.546 11.305 1.00 0.00 N ATOM 617 CA THR A 41 -5.213 14.198 11.482 1.00 0.00 C ATOM 618 C THR A 41 -6.137 14.865 10.445 1.00 0.00 C ATOM 619 O THR A 41 -7.344 15.032 10.682 1.00 0.00 O ATOM 620 CB THR A 41 -5.636 14.490 12.916 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.045 15.714 13.413 1.00 0.00 O ATOM 622 CG2 THR A 41 -5.192 13.390 13.824 1.00 0.00 C ATOM 0 H THR A 41 -3.588 15.500 11.582 1.00 0.00 H new ATOM 0 HA THR A 41 -5.319 13.128 11.301 1.00 0.00 H new ATOM 0 HB THR A 41 -6.722 14.581 12.905 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.967 16.360 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.502 13.614 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.644 12.451 13.505 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.106 13.302 13.785 1.00 0.00 H new ATOM 630 N SER A 42 -5.587 15.189 9.282 1.00 0.00 N ATOM 631 CA SER A 42 -6.374 15.738 8.192 1.00 0.00 C ATOM 632 C SER A 42 -7.328 14.653 7.678 1.00 0.00 C ATOM 633 O SER A 42 -7.040 13.455 7.819 1.00 0.00 O ATOM 634 CB SER A 42 -5.448 16.267 7.065 1.00 0.00 C ATOM 635 OG SER A 42 -5.298 15.335 5.980 1.00 0.00 O ATOM 0 H SER A 42 -4.595 15.080 9.071 1.00 0.00 H new ATOM 0 HA SER A 42 -6.962 16.585 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.852 17.203 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.467 16.491 7.483 1.00 0.00 H new ATOM 0 HG SER A 42 -4.361 15.313 5.695 1.00 0.00 H new ATOM 641 N ALA A 43 -8.456 15.051 7.092 1.00 0.00 N ATOM 642 CA ALA A 43 -9.432 14.070 6.587 1.00 0.00 C ATOM 643 C ALA A 43 -8.806 13.035 5.646 1.00 0.00 C ATOM 644 O ALA A 43 -9.226 11.876 5.638 1.00 0.00 O ATOM 645 CB ALA A 43 -10.620 14.741 5.933 1.00 0.00 C ATOM 0 H ALA A 43 -8.720 16.027 6.954 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.788 13.529 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.315 13.982 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.123 15.379 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.279 15.346 5.093 1.00 0.00 H new ATOM 651 N VAL A 44 -7.757 13.420 4.919 1.00 0.00 N ATOM 652 CA VAL A 44 -7.061 12.499 4.066 1.00 0.00 C ATOM 653 C VAL A 44 -6.054 11.737 4.884 1.00 0.00 C ATOM 654 O VAL A 44 -6.027 10.508 4.849 1.00 0.00 O ATOM 655 CB VAL A 44 -6.325 13.168 2.888 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.810 12.631 1.555 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.431 14.658 2.917 1.00 0.00 C ATOM 0 H VAL A 44 -7.382 14.368 4.914 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.821 11.846 3.637 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.271 12.914 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.271 13.124 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.631 11.557 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.877 12.826 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.895 15.078 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.480 14.949 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.995 15.036 3.842 1.00 0.00 H new ATOM 667 N ASN A 45 -5.235 12.475 5.665 1.00 0.00 N ATOM 668 CA ASN A 45 -4.235 11.840 6.523 1.00 0.00 C ATOM 669 C ASN A 45 -4.908 10.769 7.384 1.00 0.00 C ATOM 670 O ASN A 45 -4.379 9.667 7.559 1.00 0.00 O ATOM 671 CB ASN A 45 -3.493 12.849 7.432 1.00 0.00 C ATOM 672 CG ASN A 45 -2.509 13.745 6.687 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.897 14.476 5.769 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.242 13.731 7.087 1.00 0.00 N ATOM 0 H ASN A 45 -5.252 13.494 5.713 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.487 11.392 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.228 13.475 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.955 12.300 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.557 14.336 6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.954 13.116 7.848 1.00 0.00 H new ATOM 681 N LEU A 46 -6.114 11.090 7.880 1.00 0.00 N ATOM 682 CA LEU A 46 -6.922 10.165 8.663 1.00 0.00 C ATOM 683 C LEU A 46 -7.378 9.010 7.788 1.00 0.00 C ATOM 684 O LEU A 46 -7.174 7.844 8.147 1.00 0.00 O ATOM 685 CB LEU A 46 -8.146 10.876 9.260 1.00 0.00 C ATOM 686 CG LEU A 46 -7.865 11.905 10.357 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.149 12.592 10.785 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.181 11.254 11.554 1.00 0.00 C ATOM 0 H LEU A 46 -6.549 12.002 7.744 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.310 9.784 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.680 11.375 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.817 10.119 9.665 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.189 12.657 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.929 13.320 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.592 13.100 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.849 11.849 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.992 12.007 12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.825 10.475 11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.235 10.814 11.238 1.00 0.00 H new ATOM 700 N GLN A 47 -7.948 9.338 6.607 1.00 0.00 N ATOM 701 CA GLN A 47 -8.369 8.340 5.650 1.00 0.00 C ATOM 702 C GLN A 47 -7.268 7.370 5.337 1.00 0.00 C ATOM 703 O GLN A 47 -7.451 6.160 5.447 1.00 0.00 O ATOM 704 CB GLN A 47 -8.821 8.996 4.416 1.00 0.00 C ATOM 705 CG GLN A 47 -10.298 9.236 4.487 1.00 0.00 C ATOM 706 CD GLN A 47 -10.796 9.567 3.188 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.620 8.863 2.605 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.316 10.624 2.692 1.00 0.00 N ATOM 0 H GLN A 47 -8.120 10.299 6.310 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.191 7.778 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.295 9.941 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.585 8.373 3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.803 8.347 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.511 10.045 5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.635 11.171 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.609 10.931 1.765 1.00 0.00 H new ATOM 717 N LEU A 48 -6.101 7.907 4.983 1.00 0.00 N ATOM 718 CA LEU A 48 -4.912 7.101 4.693 1.00 0.00 C ATOM 719 C LEU A 48 -4.498 6.320 5.913 1.00 0.00 C ATOM 720 O LEU A 48 -4.229 5.143 5.819 1.00 0.00 O ATOM 721 CB LEU A 48 -3.768 7.997 4.247 1.00 0.00 C ATOM 722 CG LEU A 48 -4.027 8.718 2.938 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.608 10.178 3.006 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.353 7.999 1.790 1.00 0.00 C ATOM 0 H LEU A 48 -5.952 8.912 4.889 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.155 6.404 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.573 8.735 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.865 7.394 4.146 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.102 8.706 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.810 10.659 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.171 10.682 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.542 10.241 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.551 8.532 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.278 7.962 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.744 6.984 1.717 1.00 0.00 H new ATOM 736 N ASN A 49 -4.499 6.975 7.073 1.00 0.00 N ATOM 737 CA ASN A 49 -4.180 6.296 8.345 1.00 0.00 C ATOM 738 C ASN A 49 -5.094 5.089 8.512 1.00 0.00 C ATOM 739 O ASN A 49 -4.628 3.967 8.765 1.00 0.00 O ATOM 740 CB ASN A 49 -4.355 7.241 9.536 1.00 0.00 C ATOM 741 CG ASN A 49 -3.044 7.794 10.035 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.307 7.119 10.757 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.727 9.016 9.647 1.00 0.00 N ATOM 0 H ASN A 49 -4.714 7.968 7.167 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.138 5.977 8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.007 8.066 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.853 6.709 10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.845 9.433 9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.364 9.543 9.049 1.00 0.00 H new ATOM 750 N ASP A 50 -6.395 5.319 8.277 1.00 0.00 N ATOM 751 CA ASP A 50 -7.402 4.261 8.293 1.00 0.00 C ATOM 752 C ASP A 50 -7.046 3.211 7.244 1.00 0.00 C ATOM 753 O ASP A 50 -6.888 2.027 7.570 1.00 0.00 O ATOM 754 CB ASP A 50 -8.785 4.853 7.996 1.00 0.00 C ATOM 755 CG ASP A 50 -9.893 3.870 8.178 1.00 0.00 C ATOM 756 OD1 ASP A 50 -10.382 3.743 9.297 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.288 3.227 7.201 1.00 0.00 O ATOM 0 H ASP A 50 -6.772 6.244 8.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.425 3.795 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.955 5.709 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.802 5.225 6.972 1.00 0.00 H new ATOM 762 N LEU A 51 -6.862 3.680 5.998 1.00 0.00 N ATOM 763 CA LEU A 51 -6.441 2.853 4.870 1.00 0.00 C ATOM 764 C LEU A 51 -5.290 1.940 5.279 1.00 0.00 C ATOM 765 O LEU A 51 -5.391 0.732 5.192 1.00 0.00 O ATOM 766 CB LEU A 51 -5.953 3.758 3.730 1.00 0.00 C ATOM 767 CG LEU A 51 -7.003 4.191 2.733 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.937 5.679 2.462 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.813 3.458 1.469 1.00 0.00 C ATOM 0 H LEU A 51 -7.005 4.659 5.750 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.290 2.250 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.505 4.651 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.162 3.236 3.191 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.981 3.967 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.707 5.952 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.100 6.226 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.956 5.932 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.570 3.770 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.822 3.673 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.906 2.387 1.652 1.00 0.00 H new ATOM 781 N ILE A 52 -4.192 2.561 5.703 1.00 0.00 N ATOM 782 CA ILE A 52 -2.965 1.867 6.120 1.00 0.00 C ATOM 783 C ILE A 52 -3.270 0.610 6.955 1.00 0.00 C ATOM 784 O ILE A 52 -2.837 -0.484 6.600 1.00 0.00 O ATOM 785 CB ILE A 52 -2.007 2.833 6.910 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.512 3.964 6.013 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.805 2.109 7.510 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.002 5.149 6.789 1.00 0.00 C ATOM 0 H ILE A 52 -4.123 3.577 5.769 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.458 1.545 5.210 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.599 3.241 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.717 3.588 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.324 4.286 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.179 2.824 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.151 1.342 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.226 1.643 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.664 5.920 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.802 5.547 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.170 4.839 7.421 1.00 0.00 H new ATOM 800 N GLU A 53 -4.052 0.761 8.025 1.00 0.00 N ATOM 801 CA GLU A 53 -4.411 -0.394 8.876 1.00 0.00 C ATOM 802 C GLU A 53 -5.375 -1.295 8.158 1.00 0.00 C ATOM 803 O GLU A 53 -5.175 -2.508 8.101 1.00 0.00 O ATOM 804 CB GLU A 53 -5.011 0.037 10.213 1.00 0.00 C ATOM 805 CG GLU A 53 -4.353 1.239 10.822 1.00 0.00 C ATOM 806 CD GLU A 53 -5.184 1.873 11.877 1.00 0.00 C ATOM 807 OE1 GLU A 53 -6.072 2.663 11.537 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.977 1.562 13.053 1.00 0.00 O ATOM 0 H GLU A 53 -4.447 1.652 8.326 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.488 -0.934 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.071 0.249 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.943 -0.795 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.393 0.946 11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.145 1.970 10.040 1.00 0.00 H new ATOM 815 N HIS A 54 -6.402 -0.696 7.574 1.00 0.00 N ATOM 816 CA HIS A 54 -7.392 -1.441 6.796 1.00 0.00 C ATOM 817 C HIS A 54 -6.688 -2.365 5.793 1.00 0.00 C ATOM 818 O HIS A 54 -6.982 -3.566 5.722 1.00 0.00 O ATOM 819 CB HIS A 54 -8.328 -0.480 6.061 1.00 0.00 C ATOM 820 CG HIS A 54 -9.649 -1.079 5.697 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.827 -2.422 5.397 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.874 -0.514 5.615 1.00 0.00 C ATOM 823 CE1 HIS A 54 -11.107 -2.646 5.151 1.00 0.00 C ATOM 824 NE2 HIS A 54 -11.763 -1.505 5.278 1.00 0.00 N ATOM 0 H HIS A 54 -6.576 0.308 7.622 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.986 -2.048 7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.498 0.396 6.687 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.835 -0.132 5.153 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.088 -3.125 5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.110 0.526 5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.543 -3.599 4.891 1.00 0.00 H new ATOM 833 N ILE A 55 -5.715 -1.811 5.073 1.00 0.00 N ATOM 834 CA ILE A 55 -4.911 -2.577 4.145 1.00 0.00 C ATOM 835 C ILE A 55 -4.011 -3.545 4.926 1.00 0.00 C ATOM 836 O ILE A 55 -3.956 -4.721 4.599 1.00 0.00 O ATOM 837 CB ILE A 55 -4.042 -1.655 3.220 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.918 -0.627 2.490 1.00 0.00 C ATOM 839 CG2 ILE A 55 -3.264 -2.476 2.197 1.00 0.00 C ATOM 840 CD1 ILE A 55 -4.123 0.423 1.745 1.00 0.00 C ATOM 0 H ILE A 55 -5.468 -0.822 5.121 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.586 -3.138 3.499 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.334 -1.129 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.566 -1.149 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.566 -0.134 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.671 -1.809 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.603 -3.171 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.961 -3.035 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.806 1.116 1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.495 0.970 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.494 -0.060 0.997 1.00 0.00 H new ATOM 852 N ALA A 56 -3.352 -3.048 5.995 1.00 0.00 N ATOM 853 CA ALA A 56 -2.477 -3.882 6.851 1.00 0.00 C ATOM 854 C ALA A 56 -3.193 -5.158 7.277 1.00 0.00 C ATOM 855 O ALA A 56 -2.717 -6.282 7.013 1.00 0.00 O ATOM 856 CB ALA A 56 -2.009 -3.095 8.093 1.00 0.00 C ATOM 0 H ALA A 56 -3.409 -2.072 6.287 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.600 -4.155 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.368 -3.729 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.451 -2.214 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.877 -2.786 8.676 1.00 0.00 H new ATOM 862 N SER A 57 -4.345 -4.984 7.911 1.00 0.00 N ATOM 863 CA SER A 57 -5.167 -6.097 8.370 1.00 0.00 C ATOM 864 C SER A 57 -5.590 -6.992 7.196 1.00 0.00 C ATOM 865 O SER A 57 -5.564 -8.224 7.310 1.00 0.00 O ATOM 866 CB SER A 57 -6.392 -5.584 9.140 1.00 0.00 C ATOM 867 OG SER A 57 -6.133 -4.307 9.757 1.00 0.00 O ATOM 0 H SER A 57 -4.737 -4.066 8.122 1.00 0.00 H new ATOM 0 HA SER A 57 -4.568 -6.703 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.239 -5.495 8.460 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.672 -6.309 9.905 1.00 0.00 H new ATOM 0 HG SER A 57 -6.168 -3.602 9.077 1.00 0.00 H new ATOM 873 N PHE A 58 -5.932 -6.380 6.050 1.00 0.00 N ATOM 874 CA PHE A 58 -6.291 -7.151 4.855 1.00 0.00 C ATOM 875 C PHE A 58 -5.077 -7.960 4.369 1.00 0.00 C ATOM 876 O PHE A 58 -5.164 -9.185 4.180 1.00 0.00 O ATOM 877 CB PHE A 58 -6.812 -6.233 3.724 1.00 0.00 C ATOM 878 CG PHE A 58 -6.797 -6.891 2.373 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.538 -8.035 2.142 1.00 0.00 C ATOM 880 CD2 PHE A 58 -6.019 -6.388 1.349 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.505 -8.658 0.924 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.989 -7.010 0.129 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.731 -8.145 -0.082 1.00 0.00 C ATOM 0 H PHE A 58 -5.967 -5.368 5.929 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.096 -7.835 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.830 -5.921 3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.202 -5.330 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.151 -8.442 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.430 -5.498 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.088 -9.552 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.381 -6.607 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.704 -8.635 -1.044 1.00 0.00 H new ATOM 893 N VAL A 59 -3.938 -7.267 4.207 1.00 0.00 N ATOM 894 CA VAL A 59 -2.687 -7.888 3.784 1.00 0.00 C ATOM 895 C VAL A 59 -2.396 -9.108 4.637 1.00 0.00 C ATOM 896 O VAL A 59 -2.006 -10.138 4.107 1.00 0.00 O ATOM 897 CB VAL A 59 -1.481 -6.889 3.843 1.00 0.00 C ATOM 898 CG1 VAL A 59 -0.169 -7.563 3.443 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.741 -5.689 2.948 1.00 0.00 C ATOM 0 H VAL A 59 -3.866 -6.262 4.367 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.809 -8.190 2.744 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.385 -6.553 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.643 -6.838 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.037 -8.390 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.251 -7.942 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.894 -5.005 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.873 -6.024 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.643 -5.175 3.281 1.00 0.00 H new ATOM 909 N MET A 60 -2.644 -9.002 5.959 1.00 0.00 N ATOM 910 CA MET A 60 -2.462 -10.138 6.864 1.00 0.00 C ATOM 911 C MET A 60 -3.093 -11.390 6.264 1.00 0.00 C ATOM 912 O MET A 60 -2.413 -12.379 6.052 1.00 0.00 O ATOM 913 CB MET A 60 -3.072 -9.865 8.256 1.00 0.00 C ATOM 914 CG MET A 60 -2.066 -9.680 9.349 1.00 0.00 C ATOM 915 SD MET A 60 -2.689 -8.685 10.718 1.00 0.00 S ATOM 916 CE MET A 60 -2.356 -7.028 10.123 1.00 0.00 C ATOM 0 H MET A 60 -2.967 -8.147 6.413 1.00 0.00 H new ATOM 0 HA MET A 60 -1.390 -10.290 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.694 -8.972 8.197 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.728 -10.694 8.520 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.763 -10.657 9.726 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.175 -9.206 8.938 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.157 -6.360 10.440 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.408 -6.678 10.532 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.301 -7.037 9.034 1.00 0.00 H new ATOM 926 N SER A 61 -4.376 -11.295 5.909 1.00 0.00 N ATOM 927 CA SER A 61 -5.094 -12.385 5.299 1.00 0.00 C ATOM 928 C SER A 61 -4.502 -12.740 3.928 1.00 0.00 C ATOM 929 O SER A 61 -4.289 -13.923 3.631 1.00 0.00 O ATOM 930 CB SER A 61 -6.560 -12.011 5.191 1.00 0.00 C ATOM 931 OG SER A 61 -7.108 -11.718 6.485 1.00 0.00 O ATOM 0 H SER A 61 -4.936 -10.453 6.042 1.00 0.00 H new ATOM 0 HA SER A 61 -4.999 -13.274 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.672 -11.145 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.116 -12.829 4.732 1.00 0.00 H new ATOM 0 HG SER A 61 -8.054 -11.478 6.393 1.00 0.00 H new ATOM 937 N PHE A 62 -4.162 -11.717 3.129 1.00 0.00 N ATOM 938 CA PHE A 62 -3.506 -11.926 1.829 1.00 0.00 C ATOM 939 C PHE A 62 -2.290 -12.873 1.999 1.00 0.00 C ATOM 940 O PHE A 62 -2.258 -13.974 1.417 1.00 0.00 O ATOM 941 CB PHE A 62 -3.072 -10.550 1.250 1.00 0.00 C ATOM 942 CG PHE A 62 -2.196 -10.598 0.018 1.00 0.00 C ATOM 943 CD1 PHE A 62 -0.828 -10.765 0.126 1.00 0.00 C ATOM 944 CD2 PHE A 62 -2.741 -10.460 -1.243 1.00 0.00 C ATOM 945 CE1 PHE A 62 -0.029 -10.797 -0.997 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.946 -10.498 -2.369 1.00 0.00 C ATOM 947 CZ PHE A 62 -0.588 -10.666 -2.243 1.00 0.00 C ATOM 0 H PHE A 62 -4.330 -10.738 3.360 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.200 -12.394 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.969 -9.978 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.541 -10.001 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.379 -10.872 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.807 -10.320 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.039 -10.925 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.390 -10.396 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.038 -10.695 -3.123 1.00 0.00 H new ATOM 957 N LYS A 63 -1.348 -12.469 2.869 1.00 0.00 N ATOM 958 CA LYS A 63 -0.135 -13.275 3.168 1.00 0.00 C ATOM 959 C LYS A 63 -0.428 -14.538 4.001 1.00 0.00 C ATOM 960 O LYS A 63 0.395 -15.456 4.032 1.00 0.00 O ATOM 961 CB LYS A 63 1.003 -12.436 3.836 1.00 0.00 C ATOM 962 CG LYS A 63 0.580 -11.077 4.412 1.00 0.00 C ATOM 963 CD LYS A 63 1.694 -10.401 5.201 1.00 0.00 C ATOM 964 CE LYS A 63 1.313 -10.254 6.677 1.00 0.00 C ATOM 965 NZ LYS A 63 2.266 -9.415 7.430 1.00 0.00 N ATOM 0 H LYS A 63 -1.397 -11.589 3.382 1.00 0.00 H new ATOM 0 HA LYS A 63 0.219 -13.605 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.443 -13.029 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.787 -12.268 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.268 -10.423 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.286 -11.215 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.611 -10.985 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.901 -9.419 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.316 -9.819 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.264 -11.242 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.818 -9.082 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.111 -9.974 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.541 -8.597 6.850 1.00 0.00 H new ATOM 979 N ILE A 64 -1.600 -14.611 4.658 1.00 0.00 N ATOM 980 CA ILE A 64 -1.978 -15.803 5.434 1.00 0.00 C ATOM 981 C ILE A 64 -2.108 -16.977 4.471 1.00 0.00 C ATOM 982 O ILE A 64 -1.642 -18.106 4.758 1.00 0.00 O ATOM 983 CB ILE A 64 -3.344 -15.600 6.213 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.132 -14.817 7.508 1.00 0.00 C ATOM 985 CG2 ILE A 64 -4.027 -16.928 6.539 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.414 -14.324 8.139 1.00 0.00 C ATOM 0 H ILE A 64 -2.295 -13.865 4.667 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.206 -15.990 6.181 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.993 -15.032 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.606 -15.450 8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.486 -13.963 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.958 -16.737 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.242 -17.463 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.369 -17.532 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.183 -13.778 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.932 -13.664 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.053 -15.174 8.376 1.00 0.00 H new ATOM 998 N LYS A 65 -2.744 -16.706 3.332 1.00 0.00 N ATOM 999 CA LYS A 65 -2.961 -17.691 2.323 1.00 0.00 C ATOM 1000 C LYS A 65 -1.645 -18.118 1.671 1.00 0.00 C ATOM 1001 O LYS A 65 -1.365 -19.317 1.565 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.925 -17.155 1.272 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.304 -16.795 1.813 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.362 -16.836 0.715 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.498 -15.845 0.988 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.012 -14.452 1.092 1.00 0.00 N ATOM 0 H LYS A 65 -3.118 -15.786 3.101 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.399 -18.571 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.486 -16.270 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.039 -17.901 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.576 -17.488 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.274 -15.799 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.900 -16.605 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.769 -17.844 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.236 -15.912 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.004 -16.121 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.730 -13.804 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.833 -14.221 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.131 -14.350 0.549 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.843 -17.145 1.232 1.00 0.00 N ATOM 1021 CA TYR A 66 0.433 -17.457 0.580 1.00 0.00 C ATOM 1022 C TYR A 66 1.608 -16.853 1.336 1.00 0.00 C ATOM 1023 O TYR A 66 2.071 -15.788 0.993 1.00 0.00 O ATOM 1024 CB TYR A 66 0.451 -16.967 -0.890 1.00 0.00 C ATOM 1025 CG TYR A 66 0.526 -18.068 -1.930 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.455 -19.046 -2.011 1.00 0.00 C ATOM 1027 CD2 TYR A 66 1.577 -18.125 -2.842 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -0.396 -20.044 -2.965 1.00 0.00 C ATOM 1029 CE2 TYR A 66 1.643 -19.121 -3.795 1.00 0.00 C ATOM 1030 CZ TYR A 66 0.656 -20.076 -3.854 1.00 0.00 C ATOM 1031 OH TYR A 66 0.716 -21.067 -4.808 1.00 0.00 O ATOM 0 H TYR A 66 -1.049 -16.149 1.314 1.00 0.00 H new ATOM 0 HA TYR A 66 0.534 -18.542 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.447 -16.376 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.303 -16.301 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.281 -19.027 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.354 -17.376 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.171 -20.795 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.467 -19.150 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 66 1.520 -20.946 -5.356 1.00 0.00 H new ATOM 1041 N PRO A 67 2.215 -17.588 2.292 1.00 0.00 N ATOM 1042 CA PRO A 67 3.439 -17.105 2.972 1.00 0.00 C ATOM 1043 C PRO A 67 4.523 -16.691 1.943 1.00 0.00 C ATOM 1044 O PRO A 67 5.353 -15.811 2.210 1.00 0.00 O ATOM 1045 CB PRO A 67 3.905 -18.324 3.790 1.00 0.00 C ATOM 1046 CG PRO A 67 3.176 -19.493 3.196 1.00 0.00 C ATOM 1047 CD PRO A 67 1.867 -18.963 2.690 1.00 0.00 C ATOM 0 HA PRO A 67 3.257 -16.223 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.985 -18.456 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.665 -18.205 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.753 -19.940 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.017 -20.272 3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.490 -19.546 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.097 -18.980 3.461 1.00 0.00 H new ATOM 1055 N ASP A 68 4.479 -17.331 0.756 1.00 0.00 N ATOM 1056 CA ASP A 68 5.412 -17.055 -0.342 1.00 0.00 C ATOM 1057 C ASP A 68 5.127 -15.740 -1.060 1.00 0.00 C ATOM 1058 O ASP A 68 5.973 -15.250 -1.823 1.00 0.00 O ATOM 1059 CB ASP A 68 5.420 -18.203 -1.345 1.00 0.00 C ATOM 1060 CG ASP A 68 6.723 -18.339 -2.053 1.00 0.00 C ATOM 1061 OD1 ASP A 68 7.719 -18.655 -1.400 1.00 0.00 O ATOM 1062 OD2 ASP A 68 6.756 -18.140 -3.271 1.00 0.00 O ATOM 0 H ASP A 68 3.793 -18.053 0.538 1.00 0.00 H new ATOM 0 HA ASP A 68 6.397 -16.960 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.194 -19.135 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.628 -18.046 -2.077 1.00 0.00 H new ATOM 1067 N ASP A 69 3.971 -15.158 -0.817 1.00 0.00 N ATOM 1068 CA ASP A 69 3.610 -13.895 -1.405 1.00 0.00 C ATOM 1069 C ASP A 69 4.242 -12.716 -0.673 1.00 0.00 C ATOM 1070 O ASP A 69 4.080 -11.555 -1.099 1.00 0.00 O ATOM 1071 CB ASP A 69 2.095 -13.762 -1.509 1.00 0.00 C ATOM 1072 CG ASP A 69 1.317 -13.411 -0.230 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.817 -12.670 0.634 1.00 0.00 O ATOM 1074 OD2 ASP A 69 0.161 -13.855 -0.136 1.00 0.00 O ATOM 0 H ASP A 69 3.257 -15.552 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 69 4.015 -13.874 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.876 -12.998 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.702 -14.703 -1.893 1.00 0.00 H new ATOM 1079 N GLY A 70 4.957 -13.027 0.422 1.00 0.00 N ATOM 1080 CA GLY A 70 5.611 -12.052 1.259 1.00 0.00 C ATOM 1081 C GLY A 70 6.233 -10.884 0.518 1.00 0.00 C ATOM 1082 O GLY A 70 6.171 -9.781 0.998 1.00 0.00 O ATOM 0 H GLY A 70 5.089 -13.987 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.885 -11.664 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.389 -12.553 1.835 1.00 0.00 H new ATOM 1086 N ASP A 71 6.789 -11.114 -0.685 1.00 0.00 N ATOM 1087 CA ASP A 71 7.393 -10.016 -1.493 1.00 0.00 C ATOM 1088 C ASP A 71 6.360 -8.909 -1.730 1.00 0.00 C ATOM 1089 O ASP A 71 6.595 -7.733 -1.430 1.00 0.00 O ATOM 1090 CB ASP A 71 7.895 -10.556 -2.856 1.00 0.00 C ATOM 1091 CG ASP A 71 9.367 -10.402 -3.056 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.140 -10.798 -2.171 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.769 -9.903 -4.118 1.00 0.00 O ATOM 0 H ASP A 71 6.837 -12.034 -1.123 1.00 0.00 H new ATOM 0 HA ASP A 71 8.240 -9.609 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.634 -11.611 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.372 -10.036 -3.658 1.00 0.00 H new ATOM 1098 N LEU A 72 5.204 -9.314 -2.243 1.00 0.00 N ATOM 1099 CA LEU A 72 4.088 -8.412 -2.504 1.00 0.00 C ATOM 1100 C LEU A 72 3.555 -7.821 -1.214 1.00 0.00 C ATOM 1101 O LEU A 72 3.396 -6.596 -1.100 1.00 0.00 O ATOM 1102 CB LEU A 72 2.954 -9.159 -3.208 1.00 0.00 C ATOM 1103 CG LEU A 72 1.879 -8.278 -3.881 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.496 -7.120 -4.645 1.00 0.00 C ATOM 1105 CD2 LEU A 72 0.994 -9.099 -4.791 1.00 0.00 C ATOM 0 H LEU A 72 5.013 -10.285 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 72 4.455 -7.609 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.390 -9.809 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.463 -9.804 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 72 1.263 -7.860 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.706 -6.525 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.069 -6.496 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.156 -7.507 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.246 -8.453 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.602 -9.562 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.495 -9.875 -4.210 1.00 0.00 H new ATOM 1117 N SER A 73 3.273 -8.687 -0.245 1.00 0.00 N ATOM 1118 CA SER A 73 2.744 -8.248 1.045 1.00 0.00 C ATOM 1119 C SER A 73 3.701 -7.240 1.671 1.00 0.00 C ATOM 1120 O SER A 73 3.311 -6.113 1.963 1.00 0.00 O ATOM 1121 CB SER A 73 2.497 -9.449 1.977 1.00 0.00 C ATOM 1122 OG SER A 73 3.172 -10.606 1.506 1.00 0.00 O ATOM 0 H SER A 73 3.401 -9.696 -0.327 1.00 0.00 H new ATOM 0 HA SER A 73 1.781 -7.762 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.839 -9.209 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.428 -9.649 2.043 1.00 0.00 H new ATOM 0 HG SER A 73 2.535 -11.193 1.048 1.00 0.00 H new ATOM 1128 N GLU A 74 4.982 -7.622 1.742 1.00 0.00 N ATOM 1129 CA GLU A 74 6.055 -6.792 2.182 1.00 0.00 C ATOM 1130 C GLU A 74 6.028 -5.433 1.491 1.00 0.00 C ATOM 1131 O GLU A 74 6.176 -4.397 2.153 1.00 0.00 O ATOM 1132 CB GLU A 74 7.348 -7.511 1.890 1.00 0.00 C ATOM 1133 CG GLU A 74 8.491 -6.939 2.587 1.00 0.00 C ATOM 1134 CD GLU A 74 8.842 -7.661 3.848 1.00 0.00 C ATOM 1135 OE1 GLU A 74 8.952 -8.893 3.822 1.00 0.00 O ATOM 1136 OE2 GLU A 74 9.024 -6.999 4.866 1.00 0.00 O ATOM 0 H GLU A 74 5.287 -8.559 1.479 1.00 0.00 H new ATOM 0 HA GLU A 74 5.957 -6.604 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.246 -8.559 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.536 -7.487 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.354 -6.947 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.279 -5.896 2.822 1.00 0.00 H new ATOM 1143 N LEU A 75 5.828 -5.427 0.166 1.00 0.00 N ATOM 1144 CA LEU A 75 5.737 -4.169 -0.579 1.00 0.00 C ATOM 1145 C LEU A 75 4.584 -3.342 -0.040 1.00 0.00 C ATOM 1146 O LEU A 75 4.745 -2.156 0.276 1.00 0.00 O ATOM 1147 CB LEU A 75 5.540 -4.404 -2.084 1.00 0.00 C ATOM 1148 CG LEU A 75 6.419 -3.563 -3.033 1.00 0.00 C ATOM 1149 CD1 LEU A 75 6.884 -2.251 -2.390 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.599 -4.373 -3.500 1.00 0.00 C ATOM 0 H LEU A 75 5.728 -6.267 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 75 6.679 -3.636 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.725 -5.458 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.495 -4.210 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 75 5.805 -3.293 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.499 -1.696 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.015 -1.652 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.469 -2.471 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.212 -3.770 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.194 -4.679 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.246 -5.258 -4.030 1.00 0.00 H new ATOM 1162 N VAL A 76 3.429 -3.981 0.109 1.00 0.00 N ATOM 1163 CA VAL A 76 2.272 -3.314 0.681 1.00 0.00 C ATOM 1164 C VAL A 76 2.619 -2.810 2.095 1.00 0.00 C ATOM 1165 O VAL A 76 2.391 -1.642 2.398 1.00 0.00 O ATOM 1166 CB VAL A 76 1.007 -4.227 0.719 1.00 0.00 C ATOM 1167 CG1 VAL A 76 -0.235 -3.407 1.041 1.00 0.00 C ATOM 1168 CG2 VAL A 76 0.825 -4.960 -0.615 1.00 0.00 C ATOM 0 H VAL A 76 3.272 -4.953 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 76 2.024 -2.471 0.036 1.00 0.00 H new ATOM 0 HB VAL A 76 1.149 -4.969 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.107 -4.061 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.114 -2.930 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.374 -2.642 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.063 -5.591 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.708 -4.232 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.700 -5.580 -0.812 1.00 0.00 H new ATOM 1178 N GLU A 77 3.245 -3.678 2.917 1.00 0.00 N ATOM 1179 CA GLU A 77 3.701 -3.293 4.269 1.00 0.00 C ATOM 1180 C GLU A 77 4.597 -2.050 4.189 1.00 0.00 C ATOM 1181 O GLU A 77 4.313 -1.039 4.848 1.00 0.00 O ATOM 1182 CB GLU A 77 4.443 -4.452 4.976 1.00 0.00 C ATOM 1183 CG GLU A 77 3.816 -5.836 4.778 1.00 0.00 C ATOM 1184 CD GLU A 77 3.698 -6.623 6.039 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.702 -6.810 6.730 1.00 0.00 O ATOM 1186 OE2 GLU A 77 2.600 -7.075 6.342 1.00 0.00 O ATOM 0 H GLU A 77 3.446 -4.647 2.669 1.00 0.00 H new ATOM 0 HA GLU A 77 2.819 -3.060 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.471 -4.480 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.486 -4.238 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.825 -5.718 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.416 -6.399 4.063 1.00 0.00 H new ATOM 1193 N GLU A 78 5.613 -2.092 3.279 1.00 0.00 N ATOM 1194 CA GLU A 78 6.464 -0.914 2.999 1.00 0.00 C ATOM 1195 C GLU A 78 5.550 0.285 2.768 1.00 0.00 C ATOM 1196 O GLU A 78 5.661 1.305 3.438 1.00 0.00 O ATOM 1197 CB GLU A 78 7.315 -1.125 1.713 1.00 0.00 C ATOM 1198 CG GLU A 78 8.703 -1.718 1.907 1.00 0.00 C ATOM 1199 CD GLU A 78 9.594 -1.435 0.729 1.00 0.00 C ATOM 1200 OE1 GLU A 78 9.409 -2.046 -0.319 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.471 -0.582 0.847 1.00 0.00 O ATOM 0 H GLU A 78 5.855 -2.922 2.737 1.00 0.00 H new ATOM 0 HA GLU A 78 7.136 -0.758 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.758 -1.775 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.422 -0.162 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.152 -1.307 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.622 -2.795 2.053 1.00 0.00 H new ATOM 1208 N TYR A 79 4.623 0.113 1.819 1.00 0.00 N ATOM 1209 CA TYR A 79 3.643 1.132 1.458 1.00 0.00 C ATOM 1210 C TYR A 79 2.926 1.674 2.685 1.00 0.00 C ATOM 1211 O TYR A 79 2.947 2.886 2.930 1.00 0.00 O ATOM 1212 CB TYR A 79 2.626 0.561 0.453 1.00 0.00 C ATOM 1213 CG TYR A 79 2.145 1.535 -0.595 1.00 0.00 C ATOM 1214 CD1 TYR A 79 2.999 2.480 -1.149 1.00 0.00 C ATOM 1215 CD2 TYR A 79 0.835 1.495 -1.040 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.560 3.350 -2.108 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.385 2.368 -2.003 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.247 3.292 -2.535 1.00 0.00 C ATOM 1219 OH TYR A 79 0.799 4.150 -3.502 1.00 0.00 O ATOM 0 H TYR A 79 4.535 -0.747 1.278 1.00 0.00 H new ATOM 0 HA TYR A 79 4.178 1.960 0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.076 -0.296 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.763 0.189 1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.026 2.528 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.155 0.766 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.236 4.079 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.641 2.326 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 79 0.818 5.068 -3.159 1.00 0.00 H new ATOM 1229 N LEU A 80 2.272 0.792 3.445 1.00 0.00 N ATOM 1230 CA LEU A 80 1.537 1.207 4.654 1.00 0.00 C ATOM 1231 C LEU A 80 2.442 2.005 5.575 1.00 0.00 C ATOM 1232 O LEU A 80 2.106 3.136 5.969 1.00 0.00 O ATOM 1233 CB LEU A 80 0.967 -0.009 5.404 1.00 0.00 C ATOM 1234 CG LEU A 80 0.327 -1.099 4.537 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.348 -2.126 5.385 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.643 -0.505 3.532 1.00 0.00 C ATOM 0 H LEU A 80 2.233 -0.209 3.251 1.00 0.00 H new ATOM 0 HA LEU A 80 0.704 1.835 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.771 -0.461 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.221 0.346 6.115 1.00 0.00 H new ATOM 0 HG LEU A 80 1.124 -1.590 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.794 -2.889 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.384 -2.589 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.127 -1.651 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.080 -1.303 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.434 0.027 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.112 0.189 2.880 1.00 0.00 H new ATOM 1248 N ASP A 81 3.613 1.436 5.873 1.00 0.00 N ATOM 1249 CA ASP A 81 4.620 2.095 6.720 1.00 0.00 C ATOM 1250 C ASP A 81 4.990 3.444 6.165 1.00 0.00 C ATOM 1251 O ASP A 81 4.903 4.460 6.864 1.00 0.00 O ATOM 1252 CB ASP A 81 5.884 1.259 6.818 1.00 0.00 C ATOM 1253 CG ASP A 81 6.788 1.740 7.897 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.369 1.751 9.069 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.925 2.113 7.586 1.00 0.00 O ATOM 0 H ASP A 81 3.892 0.513 5.539 1.00 0.00 H new ATOM 0 HA ASP A 81 4.177 2.210 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.617 0.219 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.411 1.286 5.864 1.00 0.00 H new ATOM 1260 N ASP A 82 5.445 3.444 4.922 1.00 0.00 N ATOM 1261 CA ASP A 82 5.853 4.678 4.231 1.00 0.00 C ATOM 1262 C ASP A 82 4.749 5.724 4.354 1.00 0.00 C ATOM 1263 O ASP A 82 4.974 6.827 4.879 1.00 0.00 O ATOM 1264 CB ASP A 82 6.139 4.400 2.738 1.00 0.00 C ATOM 1265 CG ASP A 82 7.452 3.697 2.462 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.067 3.114 3.395 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.877 3.700 1.315 1.00 0.00 O ATOM 0 H ASP A 82 5.545 2.600 4.358 1.00 0.00 H new ATOM 0 HA ASP A 82 6.766 5.050 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.327 3.795 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.130 5.347 2.199 1.00 0.00 H new ATOM 1272 N THR A 83 3.532 5.330 3.955 1.00 0.00 N ATOM 1273 CA THR A 83 2.345 6.183 4.074 1.00 0.00 C ATOM 1274 C THR A 83 2.211 6.700 5.519 1.00 0.00 C ATOM 1275 O THR A 83 2.072 7.917 5.751 1.00 0.00 O ATOM 1276 CB THR A 83 1.056 5.402 3.663 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.250 4.631 2.479 1.00 0.00 O ATOM 1278 CG2 THR A 83 -0.138 6.287 3.410 1.00 0.00 C ATOM 0 H THR A 83 3.345 4.416 3.543 1.00 0.00 H new ATOM 0 HA THR A 83 2.462 7.031 3.399 1.00 0.00 H new ATOM 0 HB THR A 83 0.858 4.763 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.611 3.752 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.993 5.672 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.374 6.847 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.089 6.983 2.602 1.00 0.00 H new ATOM 1286 N TYR A 84 2.255 5.768 6.483 1.00 0.00 N ATOM 1287 CA TYR A 84 2.134 6.097 7.891 1.00 0.00 C ATOM 1288 C TYR A 84 3.212 7.088 8.326 1.00 0.00 C ATOM 1289 O TYR A 84 2.898 8.147 8.869 1.00 0.00 O ATOM 1290 CB TYR A 84 2.197 4.825 8.752 1.00 0.00 C ATOM 1291 CG TYR A 84 2.016 5.087 10.219 1.00 0.00 C ATOM 1292 CD1 TYR A 84 3.096 5.417 11.012 1.00 0.00 C ATOM 1293 CD2 TYR A 84 0.768 5.019 10.803 1.00 0.00 C ATOM 1294 CE1 TYR A 84 2.943 5.670 12.350 1.00 0.00 C ATOM 1295 CE2 TYR A 84 0.599 5.273 12.147 1.00 0.00 C ATOM 1296 CZ TYR A 84 1.694 5.599 12.917 1.00 0.00 C ATOM 1297 OH TYR A 84 1.538 5.852 14.258 1.00 0.00 O ATOM 0 H TYR A 84 2.375 4.772 6.298 1.00 0.00 H new ATOM 0 HA TYR A 84 1.163 6.571 8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.427 4.130 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.158 4.336 8.594 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.080 5.477 10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.089 4.763 10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.800 5.924 12.956 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.383 5.217 12.593 1.00 0.00 H new ATOM 0 HH TYR A 84 0.593 5.761 14.500 1.00 0.00 H new ATOM 1307 N THR A 85 4.476 6.729 8.114 1.00 0.00 N ATOM 1308 CA THR A 85 5.609 7.582 8.517 1.00 0.00 C ATOM 1309 C THR A 85 5.475 9.007 7.931 1.00 0.00 C ATOM 1310 O THR A 85 5.678 10.010 8.645 1.00 0.00 O ATOM 1311 CB THR A 85 6.960 6.933 8.120 1.00 0.00 C ATOM 1312 OG1 THR A 85 6.886 5.506 8.198 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.117 7.362 8.998 1.00 0.00 C ATOM 0 H THR A 85 4.749 5.854 7.666 1.00 0.00 H new ATOM 0 HA THR A 85 5.590 7.673 9.603 1.00 0.00 H new ATOM 0 HB THR A 85 7.142 7.271 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.417 5.159 7.411 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.030 6.870 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.243 8.443 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.912 7.083 10.032 1.00 0.00 H new ATOM 1321 N LEU A 86 5.091 9.097 6.656 1.00 0.00 N ATOM 1322 CA LEU A 86 4.897 10.388 6.006 1.00 0.00 C ATOM 1323 C LEU A 86 3.780 11.161 6.678 1.00 0.00 C ATOM 1324 O LEU A 86 4.019 12.192 7.285 1.00 0.00 O ATOM 1325 CB LEU A 86 4.531 10.191 4.547 1.00 0.00 C ATOM 1326 CG LEU A 86 5.633 10.410 3.483 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.736 11.344 3.968 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.211 9.094 3.020 1.00 0.00 C ATOM 0 H LEU A 86 4.909 8.292 6.057 1.00 0.00 H new ATOM 0 HA LEU A 86 5.830 10.946 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.154 9.175 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.706 10.865 4.316 1.00 0.00 H new ATOM 0 HG LEU A 86 5.154 10.897 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.483 11.463 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.308 12.316 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.207 10.921 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.983 9.278 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.647 8.569 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.421 8.483 2.583 1.00 0.00 H new ATOM 1340 N PHE A 87 2.548 10.654 6.534 1.00 0.00 N ATOM 1341 CA PHE A 87 1.354 11.316 7.081 1.00 0.00 C ATOM 1342 C PHE A 87 1.424 11.541 8.582 1.00 0.00 C ATOM 1343 O PHE A 87 0.739 12.429 9.101 1.00 0.00 O ATOM 1344 CB PHE A 87 0.077 10.577 6.685 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.184 10.655 5.210 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.233 11.883 4.572 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.355 9.512 4.458 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.449 11.967 3.226 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.573 9.594 3.100 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.618 10.823 2.487 1.00 0.00 C ATOM 0 H PHE A 87 2.351 9.783 6.041 1.00 0.00 H new ATOM 0 HA PHE A 87 1.326 12.308 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.156 9.532 6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.769 11.001 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.098 12.787 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.318 8.545 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.487 12.933 2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.708 8.694 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.787 10.889 1.422 1.00 0.00 H new ATOM 1360 N SER A 88 2.263 10.776 9.273 1.00 0.00 N ATOM 1361 CA SER A 88 2.457 10.969 10.695 1.00 0.00 C ATOM 1362 C SER A 88 3.324 12.217 10.972 1.00 0.00 C ATOM 1363 O SER A 88 3.253 12.802 12.065 1.00 0.00 O ATOM 1364 CB SER A 88 3.097 9.740 11.292 1.00 0.00 C ATOM 1365 OG SER A 88 2.162 8.665 11.374 1.00 0.00 O ATOM 0 H SER A 88 2.815 10.020 8.868 1.00 0.00 H new ATOM 0 HA SER A 88 1.484 11.129 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.951 9.439 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.479 9.971 12.286 1.00 0.00 H new ATOM 0 HG SER A 88 2.161 8.167 10.530 1.00 0.00 H new ATOM 1371 N SER A 89 4.113 12.633 9.975 1.00 0.00 N ATOM 1372 CA SER A 89 4.967 13.799 10.088 1.00 0.00 C ATOM 1373 C SER A 89 4.235 15.044 9.556 1.00 0.00 C ATOM 1374 O SER A 89 3.649 15.002 8.466 1.00 0.00 O ATOM 1375 CB SER A 89 6.270 13.576 9.297 1.00 0.00 C ATOM 1376 OG SER A 89 6.820 12.242 9.514 1.00 0.00 O ATOM 0 H SER A 89 4.170 12.164 9.071 1.00 0.00 H new ATOM 0 HA SER A 89 5.212 13.956 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.078 13.720 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.006 14.324 9.592 1.00 0.00 H new ATOM 0 HG SER A 89 6.213 11.572 9.135 1.00 0.00 H new ATOM 1382 N TYR A 90 4.280 16.150 10.320 1.00 0.00 N ATOM 1383 CA TYR A 90 3.630 17.408 9.920 1.00 0.00 C ATOM 1384 C TYR A 90 4.079 17.833 8.527 1.00 0.00 C ATOM 1385 O TYR A 90 3.254 18.056 7.641 1.00 0.00 O ATOM 1386 CB TYR A 90 3.935 18.527 10.927 1.00 0.00 C ATOM 1387 CG TYR A 90 3.414 18.264 12.319 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.053 18.304 12.590 1.00 0.00 C ATOM 1389 CD2 TYR A 90 4.280 17.963 13.356 1.00 0.00 C ATOM 1390 CE1 TYR A 90 1.576 18.048 13.853 1.00 0.00 C ATOM 1391 CE2 TYR A 90 3.811 17.711 14.621 1.00 0.00 C ATOM 1392 CZ TYR A 90 2.459 17.754 14.865 1.00 0.00 C ATOM 1393 OH TYR A 90 1.990 17.480 16.122 1.00 0.00 O ATOM 0 H TYR A 90 4.761 16.197 11.218 1.00 0.00 H new ATOM 0 HA TYR A 90 2.554 17.233 9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.014 18.672 10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.504 19.459 10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.359 18.540 11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.343 17.926 13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.514 18.078 14.049 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.500 17.480 15.420 1.00 0.00 H new ATOM 0 HH TYR A 90 2.744 17.292 16.719 1.00 0.00 H new ATOM 1403 N GLY A 91 5.379 17.919 8.323 1.00 0.00 N ATOM 1404 CA GLY A 91 5.893 18.271 7.024 1.00 0.00 C ATOM 1405 C GLY A 91 6.332 17.044 6.294 1.00 0.00 C ATOM 1406 O GLY A 91 7.084 16.223 6.849 1.00 0.00 O ATOM 0 H GLY A 91 6.089 17.751 9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.126 18.790 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.731 18.959 7.131 1.00 0.00 H new ATOM 1410 N ILE A 92 5.853 16.874 5.074 1.00 0.00 N ATOM 1411 CA ILE A 92 6.190 15.693 4.304 1.00 0.00 C ATOM 1412 C ILE A 92 7.684 15.653 4.006 1.00 0.00 C ATOM 1413 O ILE A 92 8.274 16.647 3.550 1.00 0.00 O ATOM 1414 CB ILE A 92 5.349 15.563 3.007 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.862 15.533 3.356 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.715 14.290 2.245 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.491 14.421 4.326 1.00 0.00 C ATOM 0 H ILE A 92 5.235 17.533 4.600 1.00 0.00 H new ATOM 0 HA ILE A 92 5.938 14.828 4.918 1.00 0.00 H new ATOM 0 HB ILE A 92 5.564 16.424 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.579 16.492 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.284 15.414 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.112 14.222 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.771 14.318 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.524 13.421 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.421 14.458 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.743 13.456 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.043 14.551 5.257 1.00 0.00 H new ATOM 1429 N ASN A 93 8.294 14.522 4.322 1.00 0.00 N ATOM 1430 CA ASN A 93 9.728 14.333 4.154 1.00 0.00 C ATOM 1431 C ASN A 93 10.013 13.756 2.789 1.00 0.00 C ATOM 1432 O ASN A 93 9.546 12.659 2.474 1.00 0.00 O ATOM 1433 CB ASN A 93 10.284 13.404 5.237 1.00 0.00 C ATOM 1434 CG ASN A 93 9.805 13.762 6.625 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.130 14.836 7.144 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.041 12.875 7.241 1.00 0.00 N ATOM 0 H ASN A 93 7.810 13.709 4.702 1.00 0.00 H new ATOM 0 HA ASN A 93 10.217 15.303 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.994 12.378 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.373 13.439 5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.696 13.065 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.797 12.001 6.775 1.00 0.00 H new ATOM 1443 N ASP A 94 10.731 14.516 1.961 1.00 0.00 N ATOM 1444 CA ASP A 94 11.028 14.111 0.565 1.00 0.00 C ATOM 1445 C ASP A 94 11.607 12.707 0.471 1.00 0.00 C ATOM 1446 O ASP A 94 10.996 11.853 -0.151 1.00 0.00 O ATOM 1447 CB ASP A 94 11.943 15.115 -0.188 1.00 0.00 C ATOM 1448 CG ASP A 94 11.787 16.519 0.271 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.417 16.888 1.273 1.00 0.00 O ATOM 1450 OD2 ASP A 94 11.017 17.250 -0.347 1.00 0.00 O ATOM 0 H ASP A 94 11.124 15.420 2.224 1.00 0.00 H new ATOM 0 HA ASP A 94 10.058 14.115 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.983 14.813 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.725 15.064 -1.255 1.00 0.00 H new ATOM 1455 N PRO A 95 12.801 12.432 1.088 1.00 0.00 N ATOM 1456 CA PRO A 95 13.426 11.089 1.035 1.00 0.00 C ATOM 1457 C PRO A 95 12.429 9.984 1.394 1.00 0.00 C ATOM 1458 O PRO A 95 12.270 9.002 0.645 1.00 0.00 O ATOM 1459 CB PRO A 95 14.535 11.174 2.089 1.00 0.00 C ATOM 1460 CG PRO A 95 14.890 12.620 2.143 1.00 0.00 C ATOM 1461 CD PRO A 95 13.615 13.380 1.890 1.00 0.00 C ATOM 0 HA PRO A 95 13.789 10.840 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.190 10.814 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.395 10.565 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.311 12.881 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.643 12.863 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.116 13.649 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.801 14.307 1.348 1.00 0.00 H new ATOM 1469 N GLU A 96 11.723 10.187 2.507 1.00 0.00 N ATOM 1470 CA GLU A 96 10.699 9.276 2.973 1.00 0.00 C ATOM 1471 C GLU A 96 9.589 9.157 1.923 1.00 0.00 C ATOM 1472 O GLU A 96 9.197 8.061 1.538 1.00 0.00 O ATOM 1473 CB GLU A 96 10.120 9.794 4.299 1.00 0.00 C ATOM 1474 CG GLU A 96 11.041 9.640 5.525 1.00 0.00 C ATOM 1475 CD GLU A 96 12.419 10.226 5.343 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.540 11.447 5.167 1.00 0.00 O ATOM 1477 OE2 GLU A 96 13.379 9.481 5.390 1.00 0.00 O ATOM 0 H GLU A 96 11.854 10.999 3.110 1.00 0.00 H new ATOM 0 HA GLU A 96 11.136 8.290 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.873 10.849 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.186 9.268 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.567 10.116 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.138 8.580 5.761 1.00 0.00 H new ATOM 1484 N LEU A 97 9.107 10.301 1.440 1.00 0.00 N ATOM 1485 CA LEU A 97 8.082 10.319 0.405 1.00 0.00 C ATOM 1486 C LEU A 97 8.572 9.602 -0.845 1.00 0.00 C ATOM 1487 O LEU A 97 7.833 8.816 -1.439 1.00 0.00 O ATOM 1488 CB LEU A 97 7.661 11.748 0.061 1.00 0.00 C ATOM 1489 CG LEU A 97 6.703 11.887 -1.123 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.330 11.346 -0.780 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.615 13.322 -1.563 1.00 0.00 C ATOM 0 H LEU A 97 9.411 11.224 1.750 1.00 0.00 H new ATOM 0 HA LEU A 97 7.210 9.794 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.191 12.191 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.557 12.331 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 97 7.098 11.296 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.670 11.458 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.410 10.291 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.922 11.900 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.929 13.403 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.249 13.934 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.603 13.672 -1.864 1.00 0.00 H new ATOM 1503 N GLN A 98 9.821 9.871 -1.248 1.00 0.00 N ATOM 1504 CA GLN A 98 10.384 9.228 -2.421 1.00 0.00 C ATOM 1505 C GLN A 98 10.341 7.724 -2.265 1.00 0.00 C ATOM 1506 O GLN A 98 9.944 7.025 -3.199 1.00 0.00 O ATOM 1507 CB GLN A 98 11.797 9.735 -2.731 1.00 0.00 C ATOM 1508 CG GLN A 98 11.868 11.239 -2.962 1.00 0.00 C ATOM 1509 CD GLN A 98 10.654 11.781 -3.630 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.353 11.433 -4.775 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.938 12.605 -2.951 1.00 0.00 N ATOM 0 H GLN A 98 10.448 10.524 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 98 9.771 9.496 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.458 9.471 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.172 9.222 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.005 11.742 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.743 11.467 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.221 12.868 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.087 12.996 -3.356 1.00 0.00 H new ATOM 1520 N ARG A 99 10.651 7.222 -1.050 1.00 0.00 N ATOM 1521 CA ARG A 99 10.503 5.805 -0.768 1.00 0.00 C ATOM 1522 C ARG A 99 9.097 5.365 -1.119 1.00 0.00 C ATOM 1523 O ARG A 99 8.916 4.456 -1.907 1.00 0.00 O ATOM 1524 CB ARG A 99 10.710 5.529 0.694 1.00 0.00 C ATOM 1525 CG ARG A 99 12.139 5.657 1.165 1.00 0.00 C ATOM 1526 CD ARG A 99 12.529 4.518 2.097 1.00 0.00 C ATOM 1527 NE ARG A 99 11.387 3.614 2.426 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.210 2.357 1.942 1.00 0.00 C ATOM 1529 NH1 ARG A 99 12.203 1.711 1.322 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.052 1.747 2.113 1.00 0.00 N ATOM 0 H ARG A 99 10.999 7.779 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 99 11.244 5.265 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.089 6.215 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.359 4.521 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.807 5.667 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.269 6.609 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.325 3.934 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.933 4.934 3.020 1.00 0.00 H new ATOM 0 HE ARG A 99 10.680 3.971 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.111 2.162 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.053 0.768 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.295 2.219 2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.914 0.803 1.751 1.00 0.00 H new ATOM 1544 N TRP A 100 8.102 6.089 -0.575 1.00 0.00 N ATOM 1545 CA TRP A 100 6.687 5.813 -0.848 1.00 0.00 C ATOM 1546 C TRP A 100 6.461 5.745 -2.342 1.00 0.00 C ATOM 1547 O TRP A 100 5.878 4.784 -2.851 1.00 0.00 O ATOM 1548 CB TRP A 100 5.798 6.907 -0.231 1.00 0.00 C ATOM 1549 CG TRP A 100 4.346 6.558 -0.157 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.743 5.809 0.794 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.314 6.953 -1.068 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.405 5.719 0.546 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.111 6.408 -0.590 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.290 7.718 -2.234 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.894 6.601 -1.237 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.081 7.909 -2.878 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.900 7.354 -2.377 1.00 0.00 C ATOM 0 H TRP A 100 8.257 6.873 0.059 1.00 0.00 H new ATOM 0 HA TRP A 100 6.421 4.856 -0.399 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.158 7.126 0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.910 7.820 -0.815 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.248 5.348 1.630 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.731 5.215 1.122 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.198 8.153 -2.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -0.020 6.172 -0.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.049 8.497 -3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.028 7.524 -2.903 1.00 0.00 H new ATOM 1568 N GLN A 101 6.973 6.755 -3.046 1.00 0.00 N ATOM 1569 CA GLN A 101 6.882 6.829 -4.498 1.00 0.00 C ATOM 1570 C GLN A 101 7.455 5.558 -5.148 1.00 0.00 C ATOM 1571 O GLN A 101 6.761 4.892 -5.943 1.00 0.00 O ATOM 1572 CB GLN A 101 7.590 8.084 -5.009 1.00 0.00 C ATOM 1573 CG GLN A 101 7.174 9.349 -4.264 1.00 0.00 C ATOM 1574 CD GLN A 101 6.151 10.162 -5.006 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.490 9.675 -5.922 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.981 11.375 -4.603 1.00 0.00 N ATOM 0 H GLN A 101 7.462 7.543 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 101 5.831 6.895 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.668 7.951 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.377 8.208 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.772 9.073 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.056 9.963 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.549 11.743 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.279 11.966 -5.047 1.00 0.00 H new ATOM 1585 N LYS A 102 8.675 5.174 -4.743 1.00 0.00 N ATOM 1586 CA LYS A 102 9.289 3.930 -5.224 1.00 0.00 C ATOM 1587 C LYS A 102 8.455 2.726 -4.781 1.00 0.00 C ATOM 1588 O LYS A 102 8.139 1.861 -5.589 1.00 0.00 O ATOM 1589 CB LYS A 102 10.722 3.788 -4.707 1.00 0.00 C ATOM 1590 CG LYS A 102 11.631 4.959 -5.052 1.00 0.00 C ATOM 1591 CD LYS A 102 12.777 5.062 -4.066 1.00 0.00 C ATOM 1592 CE LYS A 102 12.977 6.487 -3.588 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.188 7.120 -4.155 1.00 0.00 N ATOM 0 H LYS A 102 9.251 5.703 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 102 9.319 3.967 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.695 3.671 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.154 2.875 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.024 4.835 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.056 5.885 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.581 4.415 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.694 4.703 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.103 7.081 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.045 6.494 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.273 8.091 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.028 6.573 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.115 7.142 -5.192 1.00 0.00 H new ATOM 1607 N THR A 103 8.080 2.694 -3.499 1.00 0.00 N ATOM 1608 CA THR A 103 7.253 1.629 -2.959 1.00 0.00 C ATOM 1609 C THR A 103 5.994 1.433 -3.822 1.00 0.00 C ATOM 1610 O THR A 103 5.731 0.308 -4.280 1.00 0.00 O ATOM 1611 CB THR A 103 6.912 1.896 -1.477 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.102 2.112 -0.723 1.00 0.00 O ATOM 1613 CG2 THR A 103 6.170 0.762 -0.812 1.00 0.00 C ATOM 0 H THR A 103 8.343 3.404 -2.816 1.00 0.00 H new ATOM 0 HA THR A 103 7.816 0.696 -2.992 1.00 0.00 H new ATOM 0 HB THR A 103 6.269 2.776 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.870 2.474 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.965 1.021 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.230 0.586 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.779 -0.141 -0.847 1.00 0.00 H new ATOM 1621 N LYS A 104 5.261 2.536 -4.137 1.00 0.00 N ATOM 1622 CA LYS A 104 4.103 2.405 -5.042 1.00 0.00 C ATOM 1623 C LYS A 104 4.548 1.767 -6.357 1.00 0.00 C ATOM 1624 O LYS A 104 3.940 0.792 -6.814 1.00 0.00 O ATOM 1625 CB LYS A 104 3.324 3.737 -5.335 1.00 0.00 C ATOM 1626 CG LYS A 104 3.947 5.061 -4.866 1.00 0.00 C ATOM 1627 CD LYS A 104 3.426 6.274 -5.673 1.00 0.00 C ATOM 1628 CE LYS A 104 4.282 6.598 -6.928 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.744 5.380 -7.636 1.00 0.00 N ATOM 0 H LYS A 104 5.444 3.479 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 104 3.394 1.770 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.172 3.804 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.338 3.653 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.727 5.209 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.031 5.003 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.399 6.080 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.402 7.149 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.697 7.212 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.147 7.190 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.324 5.653 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.312 4.797 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.921 4.835 -7.962 1.00 0.00 H new ATOM 1643 N GLU A 105 5.667 2.271 -6.916 1.00 0.00 N ATOM 1644 CA GLU A 105 6.234 1.709 -8.146 1.00 0.00 C ATOM 1645 C GLU A 105 6.433 0.213 -7.993 1.00 0.00 C ATOM 1646 O GLU A 105 5.831 -0.576 -8.731 1.00 0.00 O ATOM 1647 CB GLU A 105 7.582 2.371 -8.509 1.00 0.00 C ATOM 1648 CG GLU A 105 7.525 3.873 -8.724 1.00 0.00 C ATOM 1649 CD GLU A 105 6.937 4.227 -10.035 1.00 0.00 C ATOM 1650 OE1 GLU A 105 7.629 4.082 -11.037 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.766 4.634 -10.070 1.00 0.00 O ATOM 0 H GLU A 105 6.188 3.060 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 105 5.528 1.909 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.298 2.160 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.966 1.904 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.937 4.330 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.531 4.287 -8.655 1.00 0.00 H new ATOM 1658 N ARG A 106 7.251 -0.175 -6.998 1.00 0.00 N ATOM 1659 CA ARG A 106 7.523 -1.584 -6.712 1.00 0.00 C ATOM 1660 C ARG A 106 6.231 -2.392 -6.665 1.00 0.00 C ATOM 1661 O ARG A 106 6.143 -3.455 -7.284 1.00 0.00 O ATOM 1662 CB ARG A 106 8.265 -1.750 -5.384 1.00 0.00 C ATOM 1663 CG ARG A 106 9.574 -0.991 -5.271 1.00 0.00 C ATOM 1664 CD ARG A 106 10.389 -1.507 -4.089 1.00 0.00 C ATOM 1665 NE ARG A 106 10.859 -2.892 -4.317 1.00 0.00 N ATOM 1666 CZ ARG A 106 10.936 -3.875 -3.379 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.591 -3.639 -2.108 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.355 -5.089 -3.732 1.00 0.00 N ATOM 0 H ARG A 106 7.734 0.476 -6.379 1.00 0.00 H new ATOM 0 HA ARG A 106 8.153 -1.957 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.607 -1.428 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.465 -2.810 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.147 -1.102 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.375 0.073 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.246 -0.854 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.782 -1.472 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 106 11.152 -3.132 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.265 -2.713 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.654 -4.385 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.616 -5.277 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.415 -5.831 -3.034 1.00 0.00 H new ATOM 1682 N LEU A 107 5.214 -1.862 -5.961 1.00 0.00 N ATOM 1683 CA LEU A 107 3.910 -2.533 -5.842 1.00 0.00 C ATOM 1684 C LEU A 107 3.371 -2.915 -7.220 1.00 0.00 C ATOM 1685 O LEU A 107 2.969 -4.065 -7.462 1.00 0.00 O ATOM 1686 CB LEU A 107 2.881 -1.617 -5.141 1.00 0.00 C ATOM 1687 CG LEU A 107 2.621 -1.872 -3.650 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.799 -1.432 -2.815 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.377 -1.140 -3.200 1.00 0.00 C ATOM 0 H LEU A 107 5.272 -0.972 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 107 4.059 -3.433 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.213 -0.585 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.932 -1.707 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 107 2.476 -2.944 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.590 -1.623 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.686 -1.989 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.972 -0.366 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.206 -1.331 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.507 -0.070 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.520 -1.491 -3.775 1.00 0.00 H new ATOM 1701 N PHE A 108 3.396 -1.954 -8.130 1.00 0.00 N ATOM 1702 CA PHE A 108 2.906 -2.164 -9.473 1.00 0.00 C ATOM 1703 C PHE A 108 3.834 -3.020 -10.281 1.00 0.00 C ATOM 1704 O PHE A 108 3.379 -3.765 -11.146 1.00 0.00 O ATOM 1705 CB PHE A 108 2.562 -0.852 -10.174 1.00 0.00 C ATOM 1706 CG PHE A 108 1.214 -0.335 -9.757 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.012 0.125 -8.473 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.143 -0.336 -10.635 1.00 0.00 C ATOM 1709 CE1 PHE A 108 -0.219 0.575 -8.071 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -1.095 0.120 -10.237 1.00 0.00 C ATOM 1711 CZ PHE A 108 -1.274 0.575 -8.952 1.00 0.00 C ATOM 0 H PHE A 108 3.755 -1.015 -7.955 1.00 0.00 H new ATOM 0 HA PHE A 108 1.971 -2.717 -9.385 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.324 -0.107 -9.946 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.576 -1.002 -11.254 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.835 0.131 -7.774 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.280 -0.698 -11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.360 0.930 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.922 0.120 -10.932 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.243 0.932 -8.635 1.00 0.00 H new ATOM 1721 N ARG A 109 5.122 -3.025 -9.943 1.00 0.00 N ATOM 1722 CA ARG A 109 6.041 -3.941 -10.592 1.00 0.00 C ATOM 1723 C ARG A 109 5.529 -5.361 -10.389 1.00 0.00 C ATOM 1724 O ARG A 109 5.410 -6.124 -11.361 1.00 0.00 O ATOM 1725 CB ARG A 109 7.482 -3.792 -10.070 1.00 0.00 C ATOM 1726 CG ARG A 109 7.993 -2.353 -10.043 1.00 0.00 C ATOM 1727 CD ARG A 109 8.483 -1.874 -11.415 1.00 0.00 C ATOM 1728 NE ARG A 109 7.551 -2.198 -12.518 1.00 0.00 N ATOM 1729 CZ ARG A 109 6.451 -1.474 -12.853 1.00 0.00 C ATOM 1730 NH1 ARG A 109 6.095 -0.404 -12.130 1.00 0.00 N ATOM 1731 NH2 ARG A 109 5.712 -1.844 -13.892 1.00 0.00 N ATOM 0 H ARG A 109 5.541 -2.417 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 109 6.080 -3.705 -11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.536 -4.204 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.146 -4.390 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.196 -1.695 -9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.807 -2.274 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.634 -0.795 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.453 -2.326 -11.624 1.00 0.00 H new ATOM 0 HE ARG A 109 7.750 -3.032 -13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.651 -0.127 -11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.268 0.134 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.971 -2.668 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.885 -1.304 -14.148 1.00 0.00 H new ATOM 1745 N LEU A 110 5.101 -5.681 -9.146 1.00 0.00 N ATOM 1746 CA LEU A 110 4.503 -6.935 -8.860 1.00 0.00 C ATOM 1747 C LEU A 110 3.171 -7.046 -9.611 1.00 0.00 C ATOM 1748 O LEU A 110 2.943 -8.013 -10.368 1.00 0.00 O ATOM 1749 CB LEU A 110 4.242 -7.020 -7.369 1.00 0.00 C ATOM 1750 CG LEU A 110 5.405 -6.778 -6.385 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.756 -6.669 -7.040 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.133 -5.599 -5.477 1.00 0.00 C ATOM 0 H LEU A 110 5.175 -5.058 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 110 5.165 -7.743 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.457 -6.301 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.839 -8.012 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 110 5.452 -7.678 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.517 -6.499 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.977 -7.593 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.754 -5.836 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.975 -5.460 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.000 -4.700 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.228 -5.786 -4.899 1.00 0.00 H new ATOM 1764 N PHE A 111 2.292 -6.038 -9.398 1.00 0.00 N ATOM 1765 CA PHE A 111 0.954 -5.981 -10.033 1.00 0.00 C ATOM 1766 C PHE A 111 0.995 -6.040 -11.569 1.00 0.00 C ATOM 1767 O PHE A 111 -0.036 -6.277 -12.193 1.00 0.00 O ATOM 1768 CB PHE A 111 0.166 -4.739 -9.587 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.246 -4.745 -8.130 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.850 -5.861 -7.562 1.00 0.00 C ATOM 1771 CD2 PHE A 111 -0.023 -3.634 -7.331 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.219 -5.864 -6.231 1.00 0.00 C ATOM 1773 CE2 PHE A 111 -0.389 -3.635 -6.000 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.987 -4.750 -5.449 1.00 0.00 C ATOM 0 H PHE A 111 2.489 -5.247 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 111 0.442 -6.879 -9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.772 -3.853 -9.776 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.728 -4.651 -10.204 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.033 -6.736 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.443 -2.757 -7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.689 -6.737 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.207 -2.763 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.273 -4.751 -4.408 1.00 0.00 H new ATOM 1784 N SER A 112 2.163 -5.843 -12.175 1.00 0.00 N ATOM 1785 CA SER A 112 2.282 -5.888 -13.634 1.00 0.00 C ATOM 1786 C SER A 112 2.169 -7.338 -14.136 1.00 0.00 C ATOM 1787 O SER A 112 1.686 -7.574 -15.262 1.00 0.00 O ATOM 1788 CB SER A 112 3.615 -5.266 -14.089 1.00 0.00 C ATOM 1789 OG SER A 112 3.746 -3.918 -13.618 1.00 0.00 O ATOM 0 H SER A 112 3.037 -5.652 -11.684 1.00 0.00 H new ATOM 0 HA SER A 112 1.467 -5.306 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.445 -5.866 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.674 -5.281 -15.177 1.00 0.00 H new ATOM 0 HG SER A 112 3.962 -3.925 -12.662 1.00 0.00 H new ATOM 1795 N GLY A 113 2.513 -8.313 -13.275 1.00 0.00 N ATOM 1796 CA GLY A 113 2.347 -9.701 -13.643 1.00 0.00 C ATOM 1797 C GLY A 113 3.581 -10.544 -13.463 1.00 0.00 C ATOM 1798 O GLY A 113 3.876 -11.387 -14.312 1.00 0.00 O ATOM 0 H GLY A 113 2.898 -8.156 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.540 -10.128 -13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.035 -9.753 -14.686 1.00 0.00 H new ATOM 1802 N GLU A 114 4.255 -10.398 -12.319 1.00 0.00 N ATOM 1803 CA GLU A 114 5.392 -11.255 -12.016 1.00 0.00 C ATOM 1804 C GLU A 114 4.889 -12.492 -11.284 1.00 0.00 C ATOM 1805 O GLU A 114 4.693 -13.551 -11.890 1.00 0.00 O ATOM 1806 CB GLU A 114 6.449 -10.526 -11.172 1.00 0.00 C ATOM 1807 CG GLU A 114 6.807 -9.144 -11.689 1.00 0.00 C ATOM 1808 CD GLU A 114 7.740 -9.169 -12.863 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.760 -9.855 -12.812 1.00 0.00 O ATOM 1810 OE2 GLU A 114 7.457 -8.495 -13.838 1.00 0.00 O ATOM 0 H GLU A 114 4.035 -9.706 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 114 5.874 -11.540 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.084 -10.436 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.353 -11.134 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.893 -8.622 -11.972 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.265 -8.570 -10.883 1.00 0.00 H new ATOM 1817 N TYR A 115 4.572 -12.321 -9.997 1.00 0.00 N ATOM 1818 CA TYR A 115 4.002 -13.399 -9.192 1.00 0.00 C ATOM 1819 C TYR A 115 2.476 -13.415 -9.309 1.00 0.00 C ATOM 1820 O TYR A 115 1.859 -14.473 -9.267 1.00 0.00 O ATOM 1821 CB TYR A 115 4.415 -13.315 -7.689 1.00 0.00 C ATOM 1822 CG TYR A 115 5.541 -12.345 -7.365 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.279 -11.008 -7.089 1.00 0.00 C ATOM 1824 CD2 TYR A 115 6.861 -12.768 -7.341 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.299 -10.130 -6.800 1.00 0.00 C ATOM 1826 CE2 TYR A 115 7.885 -11.892 -7.050 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.601 -10.576 -6.780 1.00 0.00 C ATOM 1828 OH TYR A 115 8.619 -9.700 -6.495 1.00 0.00 O ATOM 0 H TYR A 115 4.702 -11.444 -9.492 1.00 0.00 H new ATOM 0 HA TYR A 115 4.409 -14.328 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.538 -13.032 -7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.711 -14.310 -7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.259 -10.653 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.091 -13.802 -7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.078 -9.094 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.907 -12.240 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 115 9.032 -9.945 -5.641 1.00 0.00 H new ATOM 1838 N ILE A 116 1.871 -12.211 -9.406 1.00 0.00 N ATOM 1839 CA ILE A 116 0.408 -12.039 -9.471 1.00 0.00 C ATOM 1840 C ILE A 116 -0.263 -13.072 -10.390 1.00 0.00 C ATOM 1841 O ILE A 116 -1.125 -13.829 -9.938 1.00 0.00 O ATOM 1842 CB ILE A 116 0.019 -10.602 -9.950 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.640 -9.517 -9.046 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.491 -10.447 -10.013 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.168 -9.194 -7.807 1.00 0.00 C ATOM 0 H ILE A 116 2.386 -11.332 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 116 0.045 -12.193 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 116 0.423 -10.468 -10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.635 -9.842 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.767 -8.605 -9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.740 -9.440 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.903 -11.175 -10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.916 -10.615 -9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.342 -8.422 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.155 -8.836 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.274 -10.091 -7.197 1.00 0.00 H new ATOM 1857 N SER A 117 0.123 -13.074 -11.665 1.00 0.00 N ATOM 1858 CA SER A 117 -0.445 -13.978 -12.678 1.00 0.00 C ATOM 1859 C SER A 117 -0.559 -15.435 -12.178 1.00 0.00 C ATOM 1860 O SER A 117 -1.522 -16.153 -12.519 1.00 0.00 O ATOM 1861 CB SER A 117 0.376 -13.892 -13.960 1.00 0.00 C ATOM 1862 OG SER A 117 1.148 -12.663 -13.996 1.00 0.00 O ATOM 0 H SER A 117 0.841 -12.448 -12.031 1.00 0.00 H new ATOM 0 HA SER A 117 -1.464 -13.651 -12.883 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.046 -14.749 -14.027 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.286 -13.937 -14.825 1.00 0.00 H new ATOM 0 HG SER A 117 2.096 -12.876 -14.128 1.00 0.00 H new