USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1119 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -154:sc= 0.496 (180deg=-0.68!) USER MOD Set 2.1: A 59 HIS : no HD1:sc= 1.03 K(o=2.3,f=-7.6!) USER MOD Set 2.2: A 61 SER OG : rot -99:sc= 1.32 USER MOD Set 3.1: A 48 GLN : amide:sc= -1.38! K(o=-1.4!,f=0.51) USER MOD Set 3.2: A 74 TYR OH : rot 180:sc= -0.0174 USER MOD Set 4.1: A 32 THR OG1 : rot 87:sc= 0.934 USER MOD Set 4.2: A 33 HIS : no HD1:sc= 1.63 K(o=2.6,f=-6.3!) USER MOD Set 5.1: A 18 HIS : no HD1:sc= -0.484 K(o=1.7,f=-1.2!) USER MOD Set 5.2: A 105 TYR OH : rot -164:sc= 1.11 USER MOD Set 5.3: A 119 HIS : no HE2:sc= 1.07 K(o=1.7,f=-6.3!) USER MOD Single : A 11 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= -0.133 (180deg=-1.35) USER MOD Single : A 21 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.0072) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 36 MET CE :methyl 154:sc= -2.07 (180deg=-5.2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 45 SER OG : rot 23:sc= -0.0491 USER MOD Single : A 46 ASN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.39) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 1.08 K(o=1.1,f=-6.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.115 (180deg=-0.635) USER MOD Single : A 79 SER OG : rot 106:sc= 1.21 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -115:sc= 0.138 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.4 K(o=-1.4,f=-11!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.43) USER MOD Single : A 118 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.7) USER MOD Single : A 122 CYS SG : rot -18:sc= 0.0112 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 137 LYS NZ :NH3+ 148:sc= 0.0318 (180deg=-0.286) USER MOD Single : A 140 LYS NZ :NH3+ -149:sc= -0.479 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.026 2.744 8.313 1.00 0.00 N ATOM 100 CA ALA A 9 21.694 2.286 7.977 1.00 0.00 C ATOM 101 C ALA A 9 21.063 3.213 6.956 1.00 0.00 C ATOM 102 O ALA A 9 21.006 4.428 7.158 1.00 0.00 O ATOM 103 CB ALA A 9 20.831 2.197 9.227 1.00 0.00 C ATOM 0 HA ALA A 9 21.767 1.290 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.833 1.851 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.280 1.495 9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.761 3.181 9.691 1.00 0.00 H new ATOM 109 N VAL A 10 20.599 2.644 5.860 1.00 0.00 N ATOM 110 CA VAL A 10 19.931 3.421 4.839 1.00 0.00 C ATOM 111 C VAL A 10 18.435 3.271 5.019 1.00 0.00 C ATOM 112 O VAL A 10 17.911 2.157 5.048 1.00 0.00 O ATOM 113 CB VAL A 10 20.333 3.001 3.410 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.716 3.946 2.394 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.847 2.961 3.250 1.00 0.00 C ATOM 0 H VAL A 10 20.673 1.647 5.656 1.00 0.00 H new ATOM 0 HA VAL A 10 20.235 4.461 4.955 1.00 0.00 H new ATOM 0 HB VAL A 10 19.954 1.994 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.007 3.640 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.630 3.917 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 10 20.068 4.961 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.098 2.662 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.260 3.950 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.268 2.243 3.953 1.00 0.00 H new ATOM 125 N GLN A 11 17.761 4.392 5.182 1.00 0.00 N ATOM 126 CA GLN A 11 16.350 4.385 5.499 1.00 0.00 C ATOM 127 C GLN A 11 15.535 4.804 4.297 1.00 0.00 C ATOM 128 O GLN A 11 15.776 5.858 3.707 1.00 0.00 O ATOM 129 CB GLN A 11 16.059 5.325 6.668 1.00 0.00 C ATOM 130 CG GLN A 11 17.028 5.174 7.827 1.00 0.00 C ATOM 131 CD GLN A 11 17.794 6.448 8.123 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.921 6.404 8.613 1.00 0.00 O ATOM 133 NE2 GLN A 11 17.194 7.591 7.826 1.00 0.00 N ATOM 0 H GLN A 11 18.171 5.322 5.099 1.00 0.00 H new ATOM 0 HA GLN A 11 16.072 3.370 5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.090 6.355 6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.046 5.142 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.477 4.871 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.734 4.375 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.258 7.585 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.668 8.477 8.003 1.00 0.00 H new ATOM 142 N VAL A 12 14.583 3.974 3.930 1.00 0.00 N ATOM 143 CA VAL A 12 13.694 4.290 2.846 1.00 0.00 C ATOM 144 C VAL A 12 12.294 4.530 3.387 1.00 0.00 C ATOM 145 O VAL A 12 11.826 3.804 4.268 1.00 0.00 O ATOM 146 CB VAL A 12 13.676 3.162 1.799 1.00 0.00 C ATOM 147 CG1 VAL A 12 15.020 3.064 1.092 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.344 1.844 2.450 1.00 0.00 C ATOM 0 H VAL A 12 14.409 3.072 4.372 1.00 0.00 H new ATOM 0 HA VAL A 12 14.052 5.196 2.356 1.00 0.00 H new ATOM 0 HB VAL A 12 12.908 3.397 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.986 2.261 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.237 4.007 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.801 2.854 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.335 1.057 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.094 1.613 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.362 1.907 2.919 1.00 0.00 H new ATOM 158 N LYS A 13 11.646 5.567 2.902 1.00 0.00 N ATOM 159 CA LYS A 13 10.303 5.868 3.333 1.00 0.00 C ATOM 160 C LYS A 13 9.303 5.557 2.243 1.00 0.00 C ATOM 161 O LYS A 13 9.430 6.017 1.106 1.00 0.00 O ATOM 162 CB LYS A 13 10.175 7.324 3.776 1.00 0.00 C ATOM 163 CG LYS A 13 10.598 7.550 5.215 1.00 0.00 C ATOM 164 CD LYS A 13 10.381 8.994 5.636 1.00 0.00 C ATOM 165 CE LYS A 13 10.748 9.219 7.095 1.00 0.00 C ATOM 166 NZ LYS A 13 9.795 8.553 8.027 1.00 0.00 N ATOM 0 H LYS A 13 12.028 6.213 2.211 1.00 0.00 H new ATOM 0 HA LYS A 13 10.084 5.234 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.782 7.951 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.140 7.645 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.031 6.889 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.650 7.289 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.980 9.650 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.337 9.266 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.754 8.841 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.767 10.289 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.325 8.092 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.150 9.263 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.244 7.839 7.509 1.00 0.00 H new ATOM 180 N LEU A 14 8.335 4.744 2.601 1.00 0.00 N ATOM 181 CA LEU A 14 7.209 4.448 1.743 1.00 0.00 C ATOM 182 C LEU A 14 5.997 5.187 2.290 1.00 0.00 C ATOM 183 O LEU A 14 6.092 5.822 3.340 1.00 0.00 O ATOM 184 CB LEU A 14 6.975 2.934 1.668 1.00 0.00 C ATOM 185 CG LEU A 14 8.090 2.145 0.974 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.829 0.658 1.077 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.205 2.541 -0.488 1.00 0.00 C ATOM 0 H LEU A 14 8.306 4.266 3.502 1.00 0.00 H new ATOM 0 HA LEU A 14 7.402 4.783 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.853 2.549 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.038 2.751 1.142 1.00 0.00 H new ATOM 0 HG LEU A 14 9.028 2.381 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.631 0.113 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.790 0.367 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.878 0.422 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.003 1.967 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.263 2.336 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.432 3.605 -0.560 1.00 0.00 H new ATOM 199 N GLU A 15 4.890 5.158 1.576 1.00 0.00 N ATOM 200 CA GLU A 15 3.708 5.883 1.989 1.00 0.00 C ATOM 201 C GLU A 15 2.438 5.078 1.706 1.00 0.00 C ATOM 202 O GLU A 15 2.175 4.696 0.560 1.00 0.00 O ATOM 203 CB GLU A 15 3.682 7.231 1.258 1.00 0.00 C ATOM 204 CG GLU A 15 2.476 8.101 1.571 1.00 0.00 C ATOM 205 CD GLU A 15 2.610 9.510 1.023 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.523 9.692 -0.209 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.800 10.453 1.824 1.00 0.00 O ATOM 0 H GLU A 15 4.785 4.638 0.705 1.00 0.00 H new ATOM 0 HA GLU A 15 3.742 6.052 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.587 7.784 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.711 7.047 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.581 7.638 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.338 8.148 2.651 1.00 0.00 H new ATOM 214 N LEU A 16 1.667 4.818 2.761 1.00 0.00 N ATOM 215 CA LEU A 16 0.358 4.184 2.629 1.00 0.00 C ATOM 216 C LEU A 16 -0.705 5.251 2.561 1.00 0.00 C ATOM 217 O LEU A 16 -0.617 6.282 3.230 1.00 0.00 O ATOM 218 CB LEU A 16 -0.011 3.273 3.812 1.00 0.00 C ATOM 219 CG LEU A 16 0.493 1.832 3.800 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.519 1.267 2.408 1.00 0.00 C ATOM 221 CD2 LEU A 16 1.855 1.731 4.418 1.00 0.00 C ATOM 0 H LEU A 16 1.929 5.039 3.722 1.00 0.00 H new ATOM 0 HA LEU A 16 0.412 3.575 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.356 3.746 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.098 3.244 3.883 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.207 1.244 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.883 0.240 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.488 1.283 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.180 1.868 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.189 0.694 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.556 2.350 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.812 2.076 5.451 1.00 0.00 H new ATOM 233 N GLY A 17 -1.719 4.984 1.783 1.00 0.00 N ATOM 234 CA GLY A 17 -2.811 5.912 1.664 1.00 0.00 C ATOM 235 C GLY A 17 -4.086 5.232 1.263 1.00 0.00 C ATOM 236 O GLY A 17 -4.072 4.060 0.886 1.00 0.00 O ATOM 0 H GLY A 17 -1.812 4.136 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.957 6.424 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.560 6.675 0.927 1.00 0.00 H new ATOM 240 N HIS A 18 -5.188 5.958 1.362 1.00 0.00 N ATOM 241 CA HIS A 18 -6.471 5.472 0.892 1.00 0.00 C ATOM 242 C HIS A 18 -7.526 6.561 1.031 1.00 0.00 C ATOM 243 O HIS A 18 -7.510 7.342 1.985 1.00 0.00 O ATOM 244 CB HIS A 18 -6.882 4.178 1.641 1.00 0.00 C ATOM 245 CG HIS A 18 -8.120 4.283 2.483 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.136 4.891 3.719 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.387 3.859 2.260 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.353 4.840 4.217 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.130 4.219 3.353 1.00 0.00 N ATOM 0 H HIS A 18 -5.217 6.893 1.768 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.385 5.218 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.029 3.386 0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.054 3.871 2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.744 3.336 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.662 5.239 5.172 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.126 4.036 3.478 1.00 0.00 H new ATOM 258 N ARG A 19 -8.420 6.611 0.067 1.00 0.00 N ATOM 259 CA ARG A 19 -9.547 7.521 0.102 1.00 0.00 C ATOM 260 C ARG A 19 -10.827 6.716 0.014 1.00 0.00 C ATOM 261 O ARG A 19 -10.803 5.583 -0.459 1.00 0.00 O ATOM 262 CB ARG A 19 -9.495 8.505 -1.063 1.00 0.00 C ATOM 263 CG ARG A 19 -8.267 9.392 -1.091 1.00 0.00 C ATOM 264 CD ARG A 19 -8.276 10.265 -2.330 1.00 0.00 C ATOM 265 NE ARG A 19 -9.376 11.226 -2.312 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.538 12.190 -3.213 1.00 0.00 C ATOM 267 NH1 ARG A 19 -8.685 12.315 -4.222 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.557 13.027 -3.097 1.00 0.00 N ATOM 0 H ARG A 19 -8.387 6.021 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.510 8.087 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.542 7.944 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.382 9.137 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.241 10.017 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.366 8.778 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.329 10.799 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.358 9.636 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.063 11.153 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.900 11.669 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.814 13.057 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.211 12.930 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.688 13.769 -3.784 1.00 0.00 H new ATOM 282 N ALA A 20 -11.926 7.282 0.481 1.00 0.00 N ATOM 283 CA ALA A 20 -13.219 6.629 0.361 1.00 0.00 C ATOM 284 C ALA A 20 -14.323 7.646 0.121 1.00 0.00 C ATOM 285 O ALA A 20 -14.359 8.712 0.757 1.00 0.00 O ATOM 286 CB ALA A 20 -13.532 5.803 1.595 1.00 0.00 C ATOM 0 H ALA A 20 -11.950 8.190 0.946 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.169 5.960 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.505 5.326 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.767 5.038 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.549 6.451 2.472 1.00 0.00 H new ATOM 292 N GLN A 21 -15.211 7.297 -0.801 1.00 0.00 N ATOM 293 CA GLN A 21 -16.368 8.112 -1.135 1.00 0.00 C ATOM 294 C GLN A 21 -17.513 7.201 -1.563 1.00 0.00 C ATOM 295 O GLN A 21 -17.284 6.134 -2.131 1.00 0.00 O ATOM 296 CB GLN A 21 -16.010 9.126 -2.234 1.00 0.00 C ATOM 297 CG GLN A 21 -15.802 8.554 -3.632 1.00 0.00 C ATOM 298 CD GLN A 21 -17.010 8.725 -4.536 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.157 9.746 -5.209 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.866 7.717 -4.585 1.00 0.00 N ATOM 0 H GLN A 21 -15.147 6.434 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.685 8.681 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.802 9.873 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.099 9.647 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.941 9.040 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.564 7.493 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.710 6.887 -4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.681 7.770 -5.195 1.00 0.00 H new ATOM 309 N VAL A 22 -18.740 7.594 -1.268 1.00 0.00 N ATOM 310 CA VAL A 22 -19.885 6.754 -1.581 1.00 0.00 C ATOM 311 C VAL A 22 -20.612 7.263 -2.816 1.00 0.00 C ATOM 312 O VAL A 22 -20.814 8.468 -2.985 1.00 0.00 O ATOM 313 CB VAL A 22 -20.868 6.645 -0.385 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.610 7.948 -0.139 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.848 5.505 -0.603 1.00 0.00 C ATOM 0 H VAL A 22 -18.969 8.480 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.501 5.755 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.276 6.435 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.287 7.827 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.893 8.739 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -22.183 8.214 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.529 5.444 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.418 5.685 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.300 4.567 -0.697 1.00 0.00 H new ATOM 325 N ARG A 23 -20.966 6.342 -3.697 1.00 0.00 N ATOM 326 CA ARG A 23 -21.806 6.670 -4.842 1.00 0.00 C ATOM 327 C ARG A 23 -23.254 6.753 -4.385 1.00 0.00 C ATOM 328 O ARG A 23 -23.619 6.202 -3.345 1.00 0.00 O ATOM 329 CB ARG A 23 -21.652 5.633 -5.965 1.00 0.00 C ATOM 330 CG ARG A 23 -21.264 4.252 -5.470 1.00 0.00 C ATOM 331 CD ARG A 23 -21.655 3.155 -6.448 1.00 0.00 C ATOM 332 NE ARG A 23 -21.248 3.447 -7.821 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.373 2.713 -8.514 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.764 1.675 -7.943 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.102 3.026 -9.777 1.00 0.00 N ATOM 0 H ARG A 23 -20.687 5.362 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.492 7.632 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.591 5.562 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.897 5.982 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.188 4.218 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.743 4.066 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.202 2.215 -6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.736 3.015 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.657 4.262 -8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.965 1.437 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.097 1.118 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.562 3.825 -10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.434 2.468 -10.309 1.00 0.00 H new ATOM 349 N LYS A 24 -24.075 7.443 -5.158 1.00 0.00 N ATOM 350 CA LYS A 24 -25.443 7.732 -4.752 1.00 0.00 C ATOM 351 C LYS A 24 -26.357 6.565 -5.096 1.00 0.00 C ATOM 352 O LYS A 24 -27.548 6.570 -4.777 1.00 0.00 O ATOM 353 CB LYS A 24 -25.926 9.007 -5.442 1.00 0.00 C ATOM 354 CG LYS A 24 -24.916 10.137 -5.383 1.00 0.00 C ATOM 355 CD LYS A 24 -25.123 11.052 -4.187 1.00 0.00 C ATOM 356 CE LYS A 24 -24.022 12.097 -4.115 1.00 0.00 C ATOM 357 NZ LYS A 24 -24.240 13.069 -3.015 1.00 0.00 N ATOM 0 H LYS A 24 -23.819 7.815 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.469 7.880 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -26.152 8.785 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.856 9.334 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -23.911 9.718 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -24.981 10.724 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.093 11.543 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -25.133 10.463 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -23.062 11.601 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.968 12.631 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -23.464 13.762 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -25.143 13.563 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -24.265 12.565 -2.106 1.00 0.00 H new ATOM 371 N LYS A 25 -25.782 5.576 -5.761 1.00 0.00 N ATOM 372 CA LYS A 25 -26.493 4.373 -6.148 1.00 0.00 C ATOM 373 C LYS A 25 -25.528 3.195 -6.231 1.00 0.00 C ATOM 374 O LYS A 25 -24.554 3.244 -6.987 1.00 0.00 O ATOM 375 CB LYS A 25 -27.162 4.572 -7.500 1.00 0.00 C ATOM 376 CG LYS A 25 -27.845 3.320 -8.006 1.00 0.00 C ATOM 377 CD LYS A 25 -28.659 3.602 -9.234 1.00 0.00 C ATOM 378 CE LYS A 25 -29.342 2.341 -9.713 1.00 0.00 C ATOM 379 NZ LYS A 25 -30.192 2.578 -10.907 1.00 0.00 N ATOM 0 H LYS A 25 -24.803 5.587 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.253 4.164 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.895 5.375 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.415 4.892 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -27.096 2.560 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.489 2.914 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -29.404 4.367 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -28.017 3.997 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -28.588 1.590 -9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -29.955 1.935 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -30.639 1.685 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -30.929 3.275 -10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -29.605 2.941 -11.685 1.00 0.00 H new ATOM 393 N PRO A 26 -25.771 2.133 -5.444 1.00 0.00 N ATOM 394 CA PRO A 26 -24.990 0.898 -5.526 1.00 0.00 C ATOM 395 C PRO A 26 -25.050 0.285 -6.916 1.00 0.00 C ATOM 396 O PRO A 26 -25.986 0.530 -7.678 1.00 0.00 O ATOM 397 CB PRO A 26 -25.657 -0.036 -4.514 1.00 0.00 C ATOM 398 CG PRO A 26 -26.406 0.861 -3.592 1.00 0.00 C ATOM 399 CD PRO A 26 -26.816 2.057 -4.409 1.00 0.00 C ATOM 0 HA PRO A 26 -23.934 1.076 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.326 -0.740 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.916 -0.626 -3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.278 0.354 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.783 1.161 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.806 1.926 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.851 2.964 -3.805 1.00 0.00 H new ATOM 407 N THR A 27 -24.052 -0.511 -7.240 1.00 0.00 N ATOM 408 CA THR A 27 -23.998 -1.155 -8.537 1.00 0.00 C ATOM 409 C THR A 27 -24.845 -2.425 -8.524 1.00 0.00 C ATOM 410 O THR A 27 -25.383 -2.790 -7.480 1.00 0.00 O ATOM 411 CB THR A 27 -22.538 -1.470 -8.950 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.496 -2.175 -10.197 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.825 -2.280 -7.878 1.00 0.00 C ATOM 0 H THR A 27 -23.268 -0.728 -6.624 1.00 0.00 H new ATOM 0 HA THR A 27 -24.405 -0.468 -9.278 1.00 0.00 H new ATOM 0 HB THR A 27 -22.023 -0.517 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.564 -2.361 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.803 -2.485 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.808 -1.715 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.352 -3.221 -7.722 1.00 0.00 H new ATOM 421 N VAL A 28 -24.967 -3.075 -9.672 1.00 0.00 N ATOM 422 CA VAL A 28 -25.739 -4.310 -9.814 1.00 0.00 C ATOM 423 C VAL A 28 -25.448 -5.318 -8.693 1.00 0.00 C ATOM 424 O VAL A 28 -26.345 -6.022 -8.223 1.00 0.00 O ATOM 425 CB VAL A 28 -25.458 -4.952 -11.188 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.960 -5.031 -11.455 1.00 0.00 C ATOM 427 CG2 VAL A 28 -26.096 -6.330 -11.290 1.00 0.00 C ATOM 0 H VAL A 28 -24.532 -2.762 -10.540 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.793 -4.042 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.907 -4.316 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.788 -5.487 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.535 -4.027 -11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.484 -5.635 -10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.882 -6.759 -12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.689 -6.978 -10.513 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.175 -6.242 -11.161 1.00 0.00 H new ATOM 437 N GLU A 29 -24.203 -5.364 -8.248 1.00 0.00 N ATOM 438 CA GLU A 29 -23.792 -6.336 -7.247 1.00 0.00 C ATOM 439 C GLU A 29 -23.889 -5.766 -5.827 1.00 0.00 C ATOM 440 O GLU A 29 -23.486 -6.413 -4.860 1.00 0.00 O ATOM 441 CB GLU A 29 -22.380 -6.808 -7.557 1.00 0.00 C ATOM 442 CG GLU A 29 -22.251 -7.397 -8.956 1.00 0.00 C ATOM 443 CD GLU A 29 -20.870 -7.945 -9.232 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.522 -8.996 -8.659 1.00 0.00 O ATOM 445 OE2 GLU A 29 -20.130 -7.331 -10.032 1.00 0.00 O ATOM 0 H GLU A 29 -23.460 -4.741 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.472 -7.187 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.691 -5.970 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.082 -7.557 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.985 -8.193 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.487 -6.629 -9.693 1.00 0.00 H new ATOM 452 N GLY A 30 -24.416 -4.551 -5.715 1.00 0.00 N ATOM 453 CA GLY A 30 -24.721 -3.977 -4.416 1.00 0.00 C ATOM 454 C GLY A 30 -23.523 -3.366 -3.725 1.00 0.00 C ATOM 455 O GLY A 30 -23.428 -3.384 -2.497 1.00 0.00 O ATOM 0 H GLY A 30 -24.639 -3.949 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.488 -3.212 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.142 -4.752 -3.776 1.00 0.00 H new ATOM 459 N PHE A 31 -22.616 -2.813 -4.506 1.00 0.00 N ATOM 460 CA PHE A 31 -21.446 -2.155 -3.953 1.00 0.00 C ATOM 461 C PHE A 31 -21.738 -0.662 -3.819 1.00 0.00 C ATOM 462 O PHE A 31 -22.064 0.002 -4.807 1.00 0.00 O ATOM 463 CB PHE A 31 -20.215 -2.382 -4.841 1.00 0.00 C ATOM 464 CG PHE A 31 -19.958 -3.824 -5.228 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.346 -4.877 -4.413 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.316 -4.121 -6.420 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.097 -6.187 -4.783 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.067 -5.424 -6.791 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.457 -6.458 -5.973 1.00 0.00 C ATOM 0 H PHE A 31 -22.665 -2.806 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.227 -2.578 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.329 -1.793 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.336 -1.999 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -20.848 -4.672 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.005 -3.316 -7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.404 -6.997 -4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.565 -5.633 -7.724 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.262 -7.480 -6.262 1.00 0.00 H new ATOM 479 N THR A 32 -21.646 -0.150 -2.599 1.00 0.00 N ATOM 480 CA THR A 32 -22.044 1.222 -2.303 1.00 0.00 C ATOM 481 C THR A 32 -20.845 2.168 -2.166 1.00 0.00 C ATOM 482 O THR A 32 -20.908 3.330 -2.563 1.00 0.00 O ATOM 483 CB THR A 32 -22.869 1.284 -1.001 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.099 0.806 0.115 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.128 0.467 -1.126 1.00 0.00 C ATOM 0 H THR A 32 -21.297 -0.668 -1.792 1.00 0.00 H new ATOM 0 HA THR A 32 -22.647 1.550 -3.150 1.00 0.00 H new ATOM 0 HB THR A 32 -23.136 2.327 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.571 1.543 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.694 0.526 -0.196 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.734 0.855 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.869 -0.572 -1.328 1.00 0.00 H new ATOM 493 N HIS A 33 -19.756 1.666 -1.604 1.00 0.00 N ATOM 494 CA HIS A 33 -18.618 2.503 -1.250 1.00 0.00 C ATOM 495 C HIS A 33 -17.441 2.268 -2.182 1.00 0.00 C ATOM 496 O HIS A 33 -17.045 1.131 -2.418 1.00 0.00 O ATOM 497 CB HIS A 33 -18.205 2.227 0.199 1.00 0.00 C ATOM 498 CG HIS A 33 -19.009 2.976 1.216 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.265 2.587 1.635 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.712 4.092 1.917 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.700 3.433 2.554 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.776 4.355 2.744 1.00 0.00 N ATOM 0 H HIS A 33 -19.635 0.678 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.919 3.546 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.296 1.159 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.153 2.485 0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.804 4.671 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.651 3.378 3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.841 5.135 3.398 1.00 0.00 H new ATOM 511 N ASP A 34 -16.883 3.353 -2.694 1.00 0.00 N ATOM 512 CA ASP A 34 -15.727 3.292 -3.569 1.00 0.00 C ATOM 513 C ASP A 34 -14.515 3.779 -2.804 1.00 0.00 C ATOM 514 O ASP A 34 -14.609 4.740 -2.034 1.00 0.00 O ATOM 515 CB ASP A 34 -15.928 4.178 -4.805 1.00 0.00 C ATOM 516 CG ASP A 34 -17.219 3.893 -5.550 1.00 0.00 C ATOM 517 OD1 ASP A 34 -17.287 2.872 -6.268 1.00 0.00 O ATOM 518 OD2 ASP A 34 -18.160 4.706 -5.442 1.00 0.00 O ATOM 0 H ASP A 34 -17.219 4.299 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.588 2.263 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.918 5.224 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.087 4.037 -5.484 1.00 0.00 H new ATOM 523 N TRP A 35 -13.388 3.122 -2.989 1.00 0.00 N ATOM 524 CA TRP A 35 -12.173 3.539 -2.318 1.00 0.00 C ATOM 525 C TRP A 35 -10.946 3.304 -3.184 1.00 0.00 C ATOM 526 O TRP A 35 -10.983 2.543 -4.154 1.00 0.00 O ATOM 527 CB TRP A 35 -12.019 2.841 -0.960 1.00 0.00 C ATOM 528 CG TRP A 35 -12.091 1.340 -0.994 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.163 0.553 -0.667 1.00 0.00 C ATOM 530 CD2 TRP A 35 -11.028 0.446 -1.343 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.825 -0.777 -0.798 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.520 -0.867 -1.211 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.705 0.629 -1.757 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.730 -1.986 -1.476 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.925 -0.480 -2.014 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.437 -1.770 -1.873 1.00 0.00 C ATOM 0 H TRP A 35 -13.288 2.305 -3.592 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.256 4.611 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.062 3.132 -0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.796 3.210 -0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.129 0.920 -0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.445 -1.566 -0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.300 1.623 -1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.124 -2.986 -1.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.901 -0.347 -2.330 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.800 -2.617 -2.081 1.00 0.00 H new ATOM 547 N MET A 36 -9.867 3.975 -2.820 1.00 0.00 N ATOM 548 CA MET A 36 -8.598 3.855 -3.518 1.00 0.00 C ATOM 549 C MET A 36 -7.461 3.800 -2.512 1.00 0.00 C ATOM 550 O MET A 36 -7.454 4.562 -1.555 1.00 0.00 O ATOM 551 CB MET A 36 -8.394 5.043 -4.458 1.00 0.00 C ATOM 552 CG MET A 36 -6.975 5.161 -4.987 1.00 0.00 C ATOM 553 SD MET A 36 -6.691 6.713 -5.840 1.00 0.00 S ATOM 554 CE MET A 36 -6.978 7.810 -4.464 1.00 0.00 C ATOM 0 H MET A 36 -9.846 4.620 -2.030 1.00 0.00 H new ATOM 0 HA MET A 36 -8.608 2.937 -4.106 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.081 4.952 -5.300 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.655 5.961 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.272 5.071 -4.158 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.774 4.333 -5.667 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.431 8.740 -4.620 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.044 8.025 -4.386 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.635 7.337 -3.544 1.00 0.00 H new ATOM 564 N VAL A 37 -6.515 2.900 -2.730 1.00 0.00 N ATOM 565 CA VAL A 37 -5.368 2.753 -1.838 1.00 0.00 C ATOM 566 C VAL A 37 -4.087 3.257 -2.474 1.00 0.00 C ATOM 567 O VAL A 37 -3.938 3.220 -3.691 1.00 0.00 O ATOM 568 CB VAL A 37 -5.155 1.295 -1.411 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.802 1.042 -0.080 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.716 0.349 -2.453 1.00 0.00 C ATOM 0 H VAL A 37 -6.516 2.256 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.599 3.357 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.084 1.116 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.643 0.004 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.362 1.700 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.872 1.239 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.556 -0.681 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.784 0.530 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.212 0.516 -3.405 1.00 0.00 H new ATOM 580 N PHE A 38 -3.171 3.693 -1.623 1.00 0.00 N ATOM 581 CA PHE A 38 -1.900 4.276 -2.036 1.00 0.00 C ATOM 582 C PHE A 38 -0.719 3.498 -1.475 1.00 0.00 C ATOM 583 O PHE A 38 -0.673 3.222 -0.277 1.00 0.00 O ATOM 584 CB PHE A 38 -1.791 5.708 -1.506 1.00 0.00 C ATOM 585 CG PHE A 38 -2.250 6.787 -2.434 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.357 7.341 -3.326 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.550 7.269 -2.397 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.742 8.358 -4.175 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.944 8.284 -3.245 1.00 0.00 C ATOM 590 CZ PHE A 38 -3.043 8.830 -4.135 1.00 0.00 C ATOM 0 H PHE A 38 -3.290 3.652 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.874 4.250 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.369 5.778 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.750 5.899 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.342 6.974 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.259 6.847 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.032 8.784 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.959 8.651 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.352 9.624 -4.799 1.00 0.00 H new ATOM 600 N VAL A 39 0.213 3.129 -2.346 1.00 0.00 N ATOM 601 CA VAL A 39 1.546 2.731 -1.927 1.00 0.00 C ATOM 602 C VAL A 39 2.588 3.386 -2.833 1.00 0.00 C ATOM 603 O VAL A 39 2.609 3.160 -4.040 1.00 0.00 O ATOM 604 CB VAL A 39 1.725 1.198 -1.918 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.986 0.595 -0.751 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.235 0.575 -3.205 1.00 0.00 C ATOM 0 H VAL A 39 0.065 3.098 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 39 1.686 3.072 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 39 2.791 0.991 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.120 -0.487 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.378 1.005 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.075 0.830 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.377 -0.505 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.176 0.797 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.799 0.983 -4.044 1.00 0.00 H new ATOM 616 N ARG A 40 3.421 4.238 -2.254 1.00 0.00 N ATOM 617 CA ARG A 40 4.422 4.985 -3.024 1.00 0.00 C ATOM 618 C ARG A 40 5.450 5.591 -2.093 1.00 0.00 C ATOM 619 O ARG A 40 5.464 5.293 -0.913 1.00 0.00 O ATOM 620 CB ARG A 40 3.782 6.112 -3.842 1.00 0.00 C ATOM 621 CG ARG A 40 3.134 7.193 -2.974 1.00 0.00 C ATOM 622 CD ARG A 40 2.953 8.519 -3.710 1.00 0.00 C ATOM 623 NE ARG A 40 2.314 9.518 -2.857 1.00 0.00 N ATOM 624 CZ ARG A 40 1.515 10.480 -3.307 1.00 0.00 C ATOM 625 NH1 ARG A 40 1.375 10.672 -4.616 1.00 0.00 N ATOM 626 NH2 ARG A 40 0.902 11.283 -2.449 1.00 0.00 N ATOM 0 H ARG A 40 3.429 4.434 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 40 4.896 4.279 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.542 6.570 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.029 5.688 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.162 6.840 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.748 7.356 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.923 8.888 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.349 8.362 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 40 2.492 9.475 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.881 10.081 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.762 11.411 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.044 11.162 -1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.288 12.022 -2.791 1.00 0.00 H new ATOM 640 N GLY A 41 6.338 6.402 -2.641 1.00 0.00 N ATOM 641 CA GLY A 41 7.257 7.148 -1.815 1.00 0.00 C ATOM 642 C GLY A 41 6.872 8.610 -1.725 1.00 0.00 C ATOM 643 O GLY A 41 6.130 9.105 -2.579 1.00 0.00 O ATOM 0 H GLY A 41 6.438 6.557 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.280 6.716 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.264 7.062 -2.222 1.00 0.00 H new ATOM 647 N PRO A 42 7.357 9.318 -0.694 1.00 0.00 N ATOM 648 CA PRO A 42 7.055 10.738 -0.469 1.00 0.00 C ATOM 649 C PRO A 42 7.477 11.644 -1.616 1.00 0.00 C ATOM 650 O PRO A 42 8.095 11.207 -2.594 1.00 0.00 O ATOM 651 CB PRO A 42 7.860 11.099 0.784 1.00 0.00 C ATOM 652 CG PRO A 42 8.164 9.803 1.443 1.00 0.00 C ATOM 653 CD PRO A 42 8.235 8.775 0.353 1.00 0.00 C ATOM 0 HA PRO A 42 5.979 10.883 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.775 11.632 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.288 11.751 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.107 9.857 1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.392 9.546 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.255 8.644 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.891 7.800 0.699 1.00 0.00 H new ATOM 661 N GLU A 43 7.117 12.909 -1.478 1.00 0.00 N ATOM 662 CA GLU A 43 7.452 13.936 -2.446 1.00 0.00 C ATOM 663 C GLU A 43 8.944 13.922 -2.764 1.00 0.00 C ATOM 664 O GLU A 43 9.779 14.053 -1.869 1.00 0.00 O ATOM 665 CB GLU A 43 7.061 15.323 -1.922 1.00 0.00 C ATOM 666 CG GLU A 43 5.637 15.415 -1.388 1.00 0.00 C ATOM 667 CD GLU A 43 5.498 14.869 0.021 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.777 15.612 0.983 1.00 0.00 O ATOM 669 OE2 GLU A 43 5.124 13.688 0.173 1.00 0.00 O ATOM 0 H GLU A 43 6.579 13.254 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 43 6.892 13.723 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.753 15.607 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.182 16.049 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.316 16.456 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.969 14.867 -2.052 1.00 0.00 H new ATOM 676 N HIS A 44 9.250 13.714 -4.043 1.00 0.00 N ATOM 677 CA HIS A 44 10.610 13.830 -4.595 1.00 0.00 C ATOM 678 C HIS A 44 11.420 12.546 -4.400 1.00 0.00 C ATOM 679 O HIS A 44 12.496 12.395 -4.978 1.00 0.00 O ATOM 680 CB HIS A 44 11.377 15.030 -4.013 1.00 0.00 C ATOM 681 CG HIS A 44 10.706 16.359 -4.225 1.00 0.00 C ATOM 682 ND1 HIS A 44 10.476 16.901 -5.472 1.00 0.00 N ATOM 683 CD2 HIS A 44 10.215 17.256 -3.335 1.00 0.00 C ATOM 684 CE1 HIS A 44 9.877 18.068 -5.342 1.00 0.00 C ATOM 685 NE2 HIS A 44 9.706 18.307 -4.058 1.00 0.00 N ATOM 0 H HIS A 44 8.553 13.456 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 44 10.484 13.997 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.515 14.873 -2.943 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.370 15.063 -4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 44 10.223 17.162 -2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 44 9.577 18.718 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 44 9.266 19.139 -3.664 1.00 0.00 H new ATOM 694 N SER A 45 10.913 11.626 -3.593 1.00 0.00 N ATOM 695 CA SER A 45 11.563 10.333 -3.419 1.00 0.00 C ATOM 696 C SER A 45 10.901 9.285 -4.308 1.00 0.00 C ATOM 697 O SER A 45 9.740 8.923 -4.102 1.00 0.00 O ATOM 698 CB SER A 45 11.507 9.903 -1.948 1.00 0.00 C ATOM 699 OG SER A 45 10.225 10.125 -1.403 1.00 0.00 O ATOM 0 H SER A 45 10.058 11.748 -3.050 1.00 0.00 H new ATOM 0 HA SER A 45 12.609 10.425 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.763 8.847 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.250 10.458 -1.375 1.00 0.00 H new ATOM 0 HG SER A 45 9.563 10.152 -2.125 1.00 0.00 H new ATOM 705 N ASN A 46 11.633 8.810 -5.305 1.00 0.00 N ATOM 706 CA ASN A 46 11.138 7.746 -6.166 1.00 0.00 C ATOM 707 C ASN A 46 11.457 6.401 -5.549 1.00 0.00 C ATOM 708 O ASN A 46 12.611 6.118 -5.231 1.00 0.00 O ATOM 709 CB ASN A 46 11.772 7.822 -7.560 1.00 0.00 C ATOM 710 CG ASN A 46 11.032 8.743 -8.509 1.00 0.00 C ATOM 711 OD1 ASN A 46 11.053 8.538 -9.724 1.00 0.00 O ATOM 712 ND2 ASN A 46 10.372 9.752 -7.971 1.00 0.00 N ATOM 0 H ASN A 46 12.569 9.143 -5.537 1.00 0.00 H new ATOM 0 HA ASN A 46 10.059 7.867 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.803 8.164 -7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.807 6.821 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.853 10.398 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.381 9.886 -6.960 1.00 0.00 H new ATOM 719 N ILE A 47 10.449 5.562 -5.395 1.00 0.00 N ATOM 720 CA ILE A 47 10.667 4.259 -4.801 1.00 0.00 C ATOM 721 C ILE A 47 11.056 3.237 -5.845 1.00 0.00 C ATOM 722 O ILE A 47 11.678 2.248 -5.515 1.00 0.00 O ATOM 723 CB ILE A 47 9.454 3.735 -4.030 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.308 3.393 -4.967 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.028 4.750 -3.002 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.182 2.674 -4.269 1.00 0.00 C ATOM 0 H ILE A 47 9.486 5.756 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 47 11.483 4.400 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 47 9.738 2.814 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.925 4.309 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.682 2.771 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.164 4.373 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.848 4.929 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.764 5.683 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.391 2.454 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.554 1.742 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.786 3.305 -3.473 1.00 0.00 H new ATOM 738 N GLN A 48 10.715 3.501 -7.108 1.00 0.00 N ATOM 739 CA GLN A 48 11.005 2.578 -8.214 1.00 0.00 C ATOM 740 C GLN A 48 12.500 2.233 -8.282 1.00 0.00 C ATOM 741 O GLN A 48 12.910 1.299 -8.970 1.00 0.00 O ATOM 742 CB GLN A 48 10.544 3.201 -9.539 1.00 0.00 C ATOM 743 CG GLN A 48 10.782 2.315 -10.759 1.00 0.00 C ATOM 744 CD GLN A 48 9.654 1.328 -11.034 1.00 0.00 C ATOM 745 OE1 GLN A 48 9.896 0.235 -11.547 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.415 1.698 -10.725 1.00 0.00 N ATOM 0 H GLN A 48 10.234 4.353 -7.395 1.00 0.00 H new ATOM 0 HA GLN A 48 10.460 1.651 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.480 3.429 -9.471 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.064 4.148 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.919 2.949 -11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.710 1.761 -10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.246 2.610 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.633 1.070 -10.912 1.00 0.00 H new ATOM 755 N HIS A 49 13.305 2.983 -7.548 1.00 0.00 N ATOM 756 CA HIS A 49 14.733 2.735 -7.488 1.00 0.00 C ATOM 757 C HIS A 49 15.042 1.562 -6.564 1.00 0.00 C ATOM 758 O HIS A 49 15.913 0.749 -6.859 1.00 0.00 O ATOM 759 CB HIS A 49 15.482 3.989 -7.034 1.00 0.00 C ATOM 760 CG HIS A 49 15.733 4.965 -8.146 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.108 4.581 -9.417 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.656 6.316 -8.177 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.252 5.651 -10.174 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.984 6.715 -9.446 1.00 0.00 N ATOM 0 H HIS A 49 12.990 3.772 -6.983 1.00 0.00 H new ATOM 0 HA HIS A 49 15.073 2.477 -8.491 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.908 4.482 -6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.436 3.695 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 49 15.386 6.960 -7.354 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.541 5.654 -11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 49 16.016 7.680 -9.774 1.00 0.00 H new ATOM 773 N PHE A 50 14.314 1.460 -5.458 1.00 0.00 N ATOM 774 CA PHE A 50 14.531 0.375 -4.512 1.00 0.00 C ATOM 775 C PHE A 50 13.312 -0.550 -4.438 1.00 0.00 C ATOM 776 O PHE A 50 13.326 -1.564 -3.742 1.00 0.00 O ATOM 777 CB PHE A 50 14.908 0.929 -3.131 1.00 0.00 C ATOM 778 CG PHE A 50 13.899 1.849 -2.502 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.834 1.358 -1.765 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.045 3.217 -2.620 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.936 2.214 -1.170 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.143 4.079 -2.027 1.00 0.00 C ATOM 783 CZ PHE A 50 12.087 3.577 -1.302 1.00 0.00 C ATOM 0 H PHE A 50 13.574 2.111 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 50 15.367 -0.226 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.078 0.090 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.854 1.463 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.707 0.291 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.875 3.618 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.111 1.816 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.267 5.147 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.379 4.248 -0.838 1.00 0.00 H new ATOM 793 N VAL A 51 12.281 -0.200 -5.193 1.00 0.00 N ATOM 794 CA VAL A 51 11.035 -0.949 -5.241 1.00 0.00 C ATOM 795 C VAL A 51 10.748 -1.361 -6.678 1.00 0.00 C ATOM 796 O VAL A 51 10.901 -0.565 -7.603 1.00 0.00 O ATOM 797 CB VAL A 51 9.866 -0.102 -4.674 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.516 -0.765 -4.903 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.072 0.140 -3.192 1.00 0.00 C ATOM 0 H VAL A 51 12.287 0.622 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 51 11.132 -1.843 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 51 9.863 0.848 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.727 -0.136 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.352 -0.897 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.500 -1.738 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.246 0.736 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.109 -0.816 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.009 0.674 -3.037 1.00 0.00 H new ATOM 809 N GLU A 52 10.358 -2.612 -6.865 1.00 0.00 N ATOM 810 CA GLU A 52 10.185 -3.158 -8.204 1.00 0.00 C ATOM 811 C GLU A 52 8.712 -3.212 -8.592 1.00 0.00 C ATOM 812 O GLU A 52 8.310 -2.678 -9.626 1.00 0.00 O ATOM 813 CB GLU A 52 10.803 -4.555 -8.293 1.00 0.00 C ATOM 814 CG GLU A 52 10.648 -5.198 -9.661 1.00 0.00 C ATOM 815 CD GLU A 52 11.316 -6.551 -9.749 1.00 0.00 C ATOM 816 OE1 GLU A 52 10.742 -7.537 -9.248 1.00 0.00 O ATOM 817 OE2 GLU A 52 12.418 -6.638 -10.331 1.00 0.00 O ATOM 0 H GLU A 52 10.156 -3.267 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 52 10.697 -2.497 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.863 -4.491 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.340 -5.197 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.588 -5.305 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.072 -4.538 -10.418 1.00 0.00 H new ATOM 824 N LYS A 53 7.916 -3.866 -7.764 1.00 0.00 N ATOM 825 CA LYS A 53 6.503 -4.040 -8.035 1.00 0.00 C ATOM 826 C LYS A 53 5.708 -3.922 -6.747 1.00 0.00 C ATOM 827 O LYS A 53 6.279 -3.762 -5.673 1.00 0.00 O ATOM 828 CB LYS A 53 6.269 -5.400 -8.691 1.00 0.00 C ATOM 829 CG LYS A 53 6.800 -6.572 -7.879 1.00 0.00 C ATOM 830 CD LYS A 53 6.532 -7.906 -8.553 1.00 0.00 C ATOM 831 CE LYS A 53 5.051 -8.179 -8.708 1.00 0.00 C ATOM 832 NZ LYS A 53 4.807 -9.399 -9.516 1.00 0.00 N ATOM 0 H LYS A 53 8.230 -4.288 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 53 6.167 -3.260 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.200 -5.536 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.742 -5.406 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.873 -6.452 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.338 -6.567 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.007 -7.918 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.988 -8.705 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.596 -8.295 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.570 -7.324 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.783 -9.558 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.221 -9.277 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.246 -10.218 -9.049 1.00 0.00 H new ATOM 846 N VAL A 54 4.399 -4.011 -6.856 1.00 0.00 N ATOM 847 CA VAL A 54 3.519 -3.825 -5.718 1.00 0.00 C ATOM 848 C VAL A 54 2.289 -4.710 -5.852 1.00 0.00 C ATOM 849 O VAL A 54 1.889 -5.053 -6.964 1.00 0.00 O ATOM 850 CB VAL A 54 3.123 -2.341 -5.590 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.783 -2.152 -4.902 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.203 -1.604 -4.825 1.00 0.00 C ATOM 0 H VAL A 54 3.915 -4.213 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 54 4.047 -4.116 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 54 3.023 -1.936 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.553 -1.088 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.005 -2.657 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.827 -2.574 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.929 -0.553 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.309 -2.042 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.149 -1.686 -5.361 1.00 0.00 H new ATOM 862 N VAL A 55 1.707 -5.084 -4.724 1.00 0.00 N ATOM 863 CA VAL A 55 0.562 -5.973 -4.717 1.00 0.00 C ATOM 864 C VAL A 55 -0.407 -5.585 -3.604 1.00 0.00 C ATOM 865 O VAL A 55 0.001 -5.083 -2.554 1.00 0.00 O ATOM 866 CB VAL A 55 1.012 -7.446 -4.562 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.511 -8.063 -3.268 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.556 -8.265 -5.749 1.00 0.00 C ATOM 0 H VAL A 55 2.012 -4.783 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 55 0.046 -5.876 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 55 2.101 -7.450 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.851 -9.097 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.901 -7.498 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.579 -8.038 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.880 -9.298 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.531 -8.232 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.990 -7.856 -6.661 1.00 0.00 H new ATOM 878 N PHE A 56 -1.684 -5.813 -3.847 1.00 0.00 N ATOM 879 CA PHE A 56 -2.714 -5.545 -2.866 1.00 0.00 C ATOM 880 C PHE A 56 -3.538 -6.793 -2.647 1.00 0.00 C ATOM 881 O PHE A 56 -4.087 -7.338 -3.594 1.00 0.00 O ATOM 882 CB PHE A 56 -3.624 -4.407 -3.330 1.00 0.00 C ATOM 883 CG PHE A 56 -3.037 -3.042 -3.151 1.00 0.00 C ATOM 884 CD1 PHE A 56 -2.081 -2.560 -4.030 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.449 -2.235 -2.104 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.545 -1.301 -3.868 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.914 -0.973 -1.938 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.960 -0.506 -2.822 1.00 0.00 C ATOM 0 H PHE A 56 -2.034 -6.188 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.236 -5.247 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.862 -4.553 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.564 -4.461 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.752 -3.178 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.195 -2.596 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.800 -0.938 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.241 -0.351 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.540 0.481 -2.693 1.00 0.00 H new ATOM 898 N HIS A 57 -3.604 -7.264 -1.417 1.00 0.00 N ATOM 899 CA HIS A 57 -4.454 -8.399 -1.098 1.00 0.00 C ATOM 900 C HIS A 57 -5.750 -7.888 -0.509 1.00 0.00 C ATOM 901 O HIS A 57 -5.898 -7.816 0.711 1.00 0.00 O ATOM 902 CB HIS A 57 -3.784 -9.349 -0.103 1.00 0.00 C ATOM 903 CG HIS A 57 -2.490 -9.932 -0.580 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.368 -11.234 -1.006 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.251 -9.394 -0.670 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.112 -11.473 -1.332 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.413 -10.373 -1.136 1.00 0.00 N ATOM 0 H HIS A 57 -3.084 -6.883 -0.626 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.640 -8.956 -2.016 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.605 -8.813 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.473 -10.162 0.125 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.974 -8.380 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.722 -12.412 -1.698 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.588 -10.268 -1.304 1.00 0.00 H new ATOM 916 N LEU A 58 -6.677 -7.509 -1.374 1.00 0.00 N ATOM 917 CA LEU A 58 -7.959 -6.996 -0.922 1.00 0.00 C ATOM 918 C LEU A 58 -8.733 -8.106 -0.210 1.00 0.00 C ATOM 919 O LEU A 58 -8.255 -9.239 -0.122 1.00 0.00 O ATOM 920 CB LEU A 58 -8.774 -6.433 -2.097 1.00 0.00 C ATOM 921 CG LEU A 58 -7.982 -5.608 -3.125 1.00 0.00 C ATOM 922 CD1 LEU A 58 -8.913 -4.958 -4.123 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.088 -4.569 -2.461 1.00 0.00 C ATOM 0 H LEU A 58 -6.566 -7.547 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.782 -6.179 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.250 -7.265 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.572 -5.809 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.329 -6.299 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.331 -4.380 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.477 -5.728 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.604 -4.297 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.548 -4.011 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.700 -3.883 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.375 -5.068 -1.805 1.00 0.00 H new ATOM 935 N HIS A 59 -9.916 -7.798 0.293 1.00 0.00 N ATOM 936 CA HIS A 59 -10.686 -8.791 1.026 1.00 0.00 C ATOM 937 C HIS A 59 -11.081 -9.908 0.076 1.00 0.00 C ATOM 938 O HIS A 59 -11.447 -9.658 -1.064 1.00 0.00 O ATOM 939 CB HIS A 59 -11.925 -8.157 1.667 1.00 0.00 C ATOM 940 CG HIS A 59 -12.417 -8.886 2.881 1.00 0.00 C ATOM 941 ND1 HIS A 59 -13.652 -9.489 2.954 1.00 0.00 N ATOM 942 CD2 HIS A 59 -11.833 -9.086 4.087 1.00 0.00 C ATOM 943 CE1 HIS A 59 -13.806 -10.028 4.152 1.00 0.00 C ATOM 944 NE2 HIS A 59 -12.716 -9.798 4.858 1.00 0.00 N ATOM 0 H HIS A 59 -10.360 -6.883 0.210 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.075 -9.200 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.694 -7.128 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.726 -8.118 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.852 -8.747 4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.678 -10.566 4.494 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.556 -10.100 5.819 1.00 0.00 H new ATOM 953 N GLU A 60 -10.969 -11.136 0.550 1.00 0.00 N ATOM 954 CA GLU A 60 -11.172 -12.325 -0.280 1.00 0.00 C ATOM 955 C GLU A 60 -12.584 -12.395 -0.861 1.00 0.00 C ATOM 956 O GLU A 60 -12.835 -13.121 -1.824 1.00 0.00 O ATOM 957 CB GLU A 60 -10.867 -13.565 0.545 1.00 0.00 C ATOM 958 CG GLU A 60 -9.440 -13.575 1.068 1.00 0.00 C ATOM 959 CD GLU A 60 -9.125 -14.780 1.923 1.00 0.00 C ATOM 960 OE1 GLU A 60 -8.729 -15.822 1.363 1.00 0.00 O ATOM 961 OE2 GLU A 60 -9.239 -14.683 3.164 1.00 0.00 O ATOM 0 H GLU A 60 -10.735 -11.344 1.521 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.491 -12.267 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.560 -13.619 1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.034 -14.454 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.751 -13.547 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.268 -12.670 1.650 1.00 0.00 H new ATOM 968 N SER A 61 -13.498 -11.652 -0.259 1.00 0.00 N ATOM 969 CA SER A 61 -14.843 -11.491 -0.800 1.00 0.00 C ATOM 970 C SER A 61 -14.808 -10.748 -2.141 1.00 0.00 C ATOM 971 O SER A 61 -15.752 -10.817 -2.927 1.00 0.00 O ATOM 972 CB SER A 61 -15.719 -10.744 0.208 1.00 0.00 C ATOM 973 OG SER A 61 -15.091 -9.545 0.642 1.00 0.00 O ATOM 0 H SER A 61 -13.334 -11.146 0.611 1.00 0.00 H new ATOM 0 HA SER A 61 -15.269 -12.478 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.682 -10.510 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.918 -11.385 1.067 1.00 0.00 H new ATOM 0 HG SER A 61 -14.662 -9.696 1.510 1.00 0.00 H new ATOM 979 N PHE A 62 -13.714 -10.035 -2.389 1.00 0.00 N ATOM 980 CA PHE A 62 -13.502 -9.351 -3.654 1.00 0.00 C ATOM 981 C PHE A 62 -12.963 -10.345 -4.674 1.00 0.00 C ATOM 982 O PHE A 62 -12.055 -11.118 -4.366 1.00 0.00 O ATOM 983 CB PHE A 62 -12.497 -8.201 -3.491 1.00 0.00 C ATOM 984 CG PHE A 62 -12.972 -7.044 -2.647 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.361 -7.232 -1.331 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.007 -5.763 -3.173 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.778 -6.165 -0.557 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.425 -4.693 -2.405 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.812 -4.895 -1.096 1.00 0.00 C ATOM 0 H PHE A 62 -12.954 -9.917 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.453 -8.938 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.583 -8.599 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.237 -7.825 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.338 -8.224 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.704 -5.598 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.077 -6.325 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.449 -3.700 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.141 -4.061 -0.494 1.00 0.00 H new ATOM 999 N PRO A 63 -13.522 -10.353 -5.889 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.073 -11.249 -6.959 1.00 0.00 C ATOM 1001 C PRO A 63 -11.631 -10.971 -7.364 1.00 0.00 C ATOM 1002 O PRO A 63 -11.317 -9.873 -7.841 1.00 0.00 O ATOM 1003 CB PRO A 63 -14.020 -10.935 -8.122 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.184 -10.248 -7.498 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.639 -9.503 -6.319 1.00 0.00 C ATOM 0 HA PRO A 63 -13.096 -12.294 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.537 -10.298 -8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.328 -11.845 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.660 -9.567 -8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.942 -10.968 -7.189 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.305 -8.502 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.385 -9.387 -5.533 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.766 -11.971 -7.176 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.333 -11.829 -7.432 1.00 0.00 C ATOM 1015 C ARG A 64 -8.792 -10.598 -6.711 1.00 0.00 C ATOM 1016 O ARG A 64 -8.479 -9.596 -7.341 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.056 -11.728 -8.933 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.379 -12.999 -9.699 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.062 -12.847 -11.170 1.00 0.00 C ATOM 1020 NE ARG A 64 -7.642 -12.591 -11.402 1.00 0.00 N ATOM 1021 CZ ARG A 64 -7.141 -12.210 -12.576 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -7.945 -12.061 -13.624 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -5.838 -11.990 -12.707 1.00 0.00 N ATOM 0 H ARG A 64 -11.038 -12.896 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.826 -12.715 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.640 -10.906 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.005 -11.480 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.809 -13.831 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.434 -13.243 -9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.358 -13.752 -11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.650 -12.028 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.998 -12.711 -10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.945 -12.238 -13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.562 -11.769 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.217 -12.113 -11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.458 -11.698 -13.608 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.677 -10.660 -5.378 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.356 -9.489 -4.560 1.00 0.00 C ATOM 1039 C PRO A 65 -6.926 -8.993 -4.740 1.00 0.00 C ATOM 1040 O PRO A 65 -6.624 -7.843 -4.440 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.570 -9.981 -3.131 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.388 -11.455 -3.196 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.847 -11.875 -4.562 1.00 0.00 C ATOM 0 HA PRO A 65 -8.975 -8.636 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.855 -9.526 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.566 -9.722 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.344 -11.726 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.969 -11.953 -2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.251 -12.702 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.885 -12.208 -4.551 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.055 -9.857 -5.226 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.661 -9.502 -5.421 1.00 0.00 C ATOM 1053 C LYS A 66 -4.487 -8.658 -6.671 1.00 0.00 C ATOM 1054 O LYS A 66 -4.498 -9.165 -7.793 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.780 -10.749 -5.492 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.303 -10.441 -5.695 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.454 -11.687 -5.518 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.046 -11.503 -6.055 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.791 -12.709 -5.835 1.00 0.00 N ATOM 0 H LYS A 66 -6.289 -10.813 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.346 -8.912 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.900 -11.321 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.126 -11.382 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.148 -10.031 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.987 -9.678 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.407 -11.945 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.929 -12.524 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.090 -11.281 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.419 -10.645 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.745 -12.544 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.854 -12.907 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.361 -13.523 -6.319 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.345 -7.364 -6.462 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.141 -6.431 -7.554 1.00 0.00 C ATOM 1075 C ARG A 67 -2.685 -6.003 -7.576 1.00 0.00 C ATOM 1076 O ARG A 67 -2.187 -5.446 -6.597 1.00 0.00 O ATOM 1077 CB ARG A 67 -5.056 -5.211 -7.394 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.479 -5.570 -7.001 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.068 -6.611 -7.946 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.424 -7.022 -7.582 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.533 -6.304 -7.775 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.471 -5.048 -8.203 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.716 -6.853 -7.521 1.00 0.00 N ATOM 0 H ARG A 67 -4.367 -6.932 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.389 -6.917 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.635 -4.547 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.075 -4.655 -8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.491 -5.953 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.099 -4.673 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.078 -6.208 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.421 -7.488 -7.958 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.532 -7.936 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.566 -4.617 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.329 -4.515 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.770 -7.814 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.570 -6.314 -7.665 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.997 -6.287 -8.668 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.576 -5.997 -8.748 1.00 0.00 C ATOM 1099 C VAL A 68 -0.330 -4.723 -9.562 1.00 0.00 C ATOM 1100 O VAL A 68 -0.999 -4.468 -10.570 1.00 0.00 O ATOM 1101 CB VAL A 68 0.231 -7.191 -9.337 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.406 -8.525 -8.965 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.395 -7.075 -10.842 1.00 0.00 C ATOM 0 H VAL A 68 -2.395 -6.714 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.220 -5.836 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 68 1.226 -7.153 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.180 -9.339 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.432 -8.626 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.422 -8.565 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.964 -7.928 -11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.587 -7.060 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.926 -6.153 -11.080 1.00 0.00 H new ATOM 1113 N CYS A 69 0.609 -3.919 -9.101 1.00 0.00 N ATOM 1114 CA CYS A 69 0.990 -2.694 -9.787 1.00 0.00 C ATOM 1115 C CYS A 69 2.502 -2.674 -9.993 1.00 0.00 C ATOM 1116 O CYS A 69 3.267 -2.688 -9.034 1.00 0.00 O ATOM 1117 CB CYS A 69 0.539 -1.466 -8.989 1.00 0.00 C ATOM 1118 SG CYS A 69 -1.256 -1.315 -8.823 1.00 0.00 S ATOM 0 H CYS A 69 1.130 -4.094 -8.242 1.00 0.00 H new ATOM 0 HA CYS A 69 0.497 -2.663 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.983 -1.508 -7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.926 -0.569 -9.473 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.540 -0.718 -7.704 1.00 0.00 H new ATOM 1124 N LYS A 70 2.927 -2.689 -11.247 1.00 0.00 N ATOM 1125 CA LYS A 70 4.351 -2.720 -11.577 1.00 0.00 C ATOM 1126 C LYS A 70 4.791 -1.367 -12.125 1.00 0.00 C ATOM 1127 O LYS A 70 5.918 -1.203 -12.600 1.00 0.00 O ATOM 1128 CB LYS A 70 4.622 -3.813 -12.619 1.00 0.00 C ATOM 1129 CG LYS A 70 3.994 -5.164 -12.293 1.00 0.00 C ATOM 1130 CD LYS A 70 4.070 -6.109 -13.478 1.00 0.00 C ATOM 1131 CE LYS A 70 3.429 -7.449 -13.163 1.00 0.00 C ATOM 1132 NZ LYS A 70 3.579 -8.418 -14.280 1.00 0.00 N ATOM 0 H LYS A 70 2.308 -2.680 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 70 4.918 -2.939 -10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.249 -3.476 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.700 -3.942 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.505 -5.608 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.952 -5.023 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.571 -5.659 -14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.113 -6.260 -13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.881 -7.863 -12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.370 -7.303 -12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.127 -9.318 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.126 -8.036 -15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.589 -8.579 -14.467 1.00 0.00 H new ATOM 1146 N ASP A 71 3.889 -0.405 -12.046 1.00 0.00 N ATOM 1147 CA ASP A 71 4.089 0.905 -12.648 1.00 0.00 C ATOM 1148 C ASP A 71 4.173 1.999 -11.584 1.00 0.00 C ATOM 1149 O ASP A 71 4.012 1.709 -10.402 1.00 0.00 O ATOM 1150 CB ASP A 71 2.935 1.197 -13.617 1.00 0.00 C ATOM 1151 CG ASP A 71 3.092 0.481 -14.940 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.805 1.004 -15.822 1.00 0.00 O ATOM 1153 OD2 ASP A 71 2.499 -0.606 -15.112 1.00 0.00 O ATOM 0 H ASP A 71 2.996 -0.508 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 71 5.035 0.898 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.994 0.898 -13.156 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.877 2.271 -13.794 1.00 0.00 H new ATOM 1158 N PRO A 72 4.512 3.251 -11.986 1.00 0.00 N ATOM 1159 CA PRO A 72 4.361 4.469 -11.155 1.00 0.00 C ATOM 1160 C PRO A 72 3.094 4.479 -10.258 1.00 0.00 C ATOM 1161 O PRO A 72 2.263 3.577 -10.361 1.00 0.00 O ATOM 1162 CB PRO A 72 4.294 5.547 -12.233 1.00 0.00 C ATOM 1163 CG PRO A 72 5.257 5.083 -13.266 1.00 0.00 C ATOM 1164 CD PRO A 72 5.175 3.579 -13.272 1.00 0.00 C ATOM 0 HA PRO A 72 5.163 4.584 -10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.287 5.642 -12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.572 6.524 -11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.004 5.490 -14.245 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.268 5.417 -13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.599 3.214 -14.122 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.164 3.126 -13.338 1.00 0.00 H new ATOM 1172 N PRO A 73 2.866 5.572 -9.463 1.00 0.00 N ATOM 1173 CA PRO A 73 2.034 5.568 -8.255 1.00 0.00 C ATOM 1174 C PRO A 73 1.071 4.396 -8.141 1.00 0.00 C ATOM 1175 O PRO A 73 0.052 4.317 -8.835 1.00 0.00 O ATOM 1176 CB PRO A 73 1.281 6.876 -8.421 1.00 0.00 C ATOM 1177 CG PRO A 73 2.276 7.802 -9.059 1.00 0.00 C ATOM 1178 CD PRO A 73 3.349 6.942 -9.693 1.00 0.00 C ATOM 0 HA PRO A 73 2.629 5.469 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.398 6.749 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.938 7.262 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.792 8.428 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.709 8.472 -8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.460 7.156 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.322 7.108 -9.231 1.00 0.00 H new ATOM 1186 N TYR A 74 1.400 3.526 -7.204 1.00 0.00 N ATOM 1187 CA TYR A 74 0.738 2.247 -7.042 1.00 0.00 C ATOM 1188 C TYR A 74 -0.543 2.430 -6.246 1.00 0.00 C ATOM 1189 O TYR A 74 -0.534 3.022 -5.163 1.00 0.00 O ATOM 1190 CB TYR A 74 1.673 1.277 -6.314 1.00 0.00 C ATOM 1191 CG TYR A 74 3.095 1.241 -6.851 1.00 0.00 C ATOM 1192 CD1 TYR A 74 3.973 2.297 -6.631 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.565 0.144 -7.556 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.269 2.260 -7.103 1.00 0.00 C ATOM 1195 CE2 TYR A 74 4.866 0.096 -8.025 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.712 1.158 -7.794 1.00 0.00 C ATOM 1197 OH TYR A 74 7.007 1.115 -8.253 1.00 0.00 O ATOM 0 H TYR A 74 2.144 3.691 -6.526 1.00 0.00 H new ATOM 0 HA TYR A 74 0.490 1.839 -8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.705 1.547 -5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.251 0.274 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.634 3.162 -6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.903 -0.689 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.933 3.094 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.216 -0.769 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 74 7.161 0.267 -8.720 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.639 1.935 -6.787 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.945 2.151 -6.193 1.00 0.00 C ATOM 1209 C LYS A 75 -3.937 1.095 -6.633 1.00 0.00 C ATOM 1210 O LYS A 75 -3.823 0.521 -7.716 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.476 3.529 -6.590 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.291 3.848 -8.065 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.170 5.006 -8.511 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.665 6.327 -7.973 1.00 0.00 C ATOM 1215 NZ LYS A 75 -2.284 6.620 -8.440 1.00 0.00 N ATOM 0 H LYS A 75 -1.651 1.378 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.830 2.089 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.536 3.586 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.970 4.290 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.246 4.092 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.525 2.965 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.199 5.043 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.192 4.840 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.333 7.128 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.684 6.307 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.102 7.641 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.601 6.103 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.182 6.321 -9.431 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.905 0.851 -5.775 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.045 0.014 -6.112 1.00 0.00 C ATOM 1231 C VAL A 76 -7.325 0.817 -5.956 1.00 0.00 C ATOM 1232 O VAL A 76 -7.544 1.448 -4.924 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.128 -1.266 -5.252 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.537 -1.825 -5.274 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.156 -2.314 -5.757 1.00 0.00 C ATOM 0 H VAL A 76 -4.927 1.224 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.915 -0.306 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.862 -1.004 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.580 -2.727 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.229 -1.083 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.816 -2.067 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.230 -3.208 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.398 -2.567 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.140 -1.922 -5.708 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.146 0.815 -6.991 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.417 1.510 -6.958 1.00 0.00 C ATOM 1247 C GLU A 77 -10.539 0.508 -7.082 1.00 0.00 C ATOM 1248 O GLU A 77 -10.677 -0.172 -8.099 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.482 2.548 -8.070 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.429 3.615 -7.921 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.082 4.302 -9.224 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -7.282 3.741 -10.005 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -8.598 5.411 -9.474 1.00 0.00 O ATOM 0 H GLU A 77 -7.952 0.336 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.521 2.035 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.360 2.053 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.468 3.012 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.777 4.361 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.527 3.169 -7.502 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.321 0.408 -6.032 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.345 -0.620 -5.948 1.00 0.00 C ATOM 1262 C GLU A 78 -13.652 -0.075 -5.413 1.00 0.00 C ATOM 1263 O GLU A 78 -13.772 1.113 -5.105 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.880 -1.774 -5.056 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.398 -2.990 -5.828 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.344 -3.380 -6.945 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.578 -3.292 -6.753 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.860 -3.795 -8.018 1.00 0.00 O ATOM 0 H GLU A 78 -11.271 1.024 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.512 -0.982 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.074 -1.421 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.702 -2.071 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.413 -2.784 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.284 -3.830 -5.143 1.00 0.00 H new ATOM 1275 N SER A 79 -14.622 -0.966 -5.314 1.00 0.00 N ATOM 1276 CA SER A 79 -15.945 -0.621 -4.838 1.00 0.00 C ATOM 1277 C SER A 79 -16.538 -1.808 -4.076 1.00 0.00 C ATOM 1278 O SER A 79 -16.364 -2.964 -4.472 1.00 0.00 O ATOM 1279 CB SER A 79 -16.824 -0.216 -6.025 1.00 0.00 C ATOM 1280 OG SER A 79 -18.049 0.357 -5.604 1.00 0.00 O ATOM 0 H SER A 79 -14.512 -1.949 -5.562 1.00 0.00 H new ATOM 0 HA SER A 79 -15.891 0.226 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.285 0.497 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.026 -1.091 -6.643 1.00 0.00 H new ATOM 0 HG SER A 79 -18.024 1.326 -5.748 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.228 -1.509 -2.984 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.733 -2.535 -2.092 1.00 0.00 C ATOM 1288 C GLY A 80 -18.721 -1.953 -1.103 1.00 0.00 C ATOM 1289 O GLY A 80 -19.366 -0.957 -1.403 1.00 0.00 O ATOM 0 H GLY A 80 -17.450 -0.556 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.214 -3.322 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.904 -2.996 -1.555 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.850 -2.543 0.077 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.792 -2.013 1.063 1.00 0.00 C ATOM 1295 C TYR A 81 -19.316 -2.212 2.502 1.00 0.00 C ATOM 1296 O TYR A 81 -20.130 -2.209 3.427 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.194 -2.621 0.867 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.231 -4.137 0.806 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.362 -4.902 1.960 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.150 -4.804 -0.410 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.405 -6.280 1.904 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.195 -6.183 -0.470 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.321 -6.915 0.687 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.362 -8.288 0.627 1.00 0.00 O ATOM 0 H TYR A 81 -18.330 -3.369 0.374 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.847 -0.938 0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.835 -2.289 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.620 -2.224 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.431 -4.408 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.050 -4.235 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.504 -6.857 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.131 -6.685 -1.424 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.292 -8.577 -0.307 1.00 0.00 H new ATOM 1314 N ALA A 82 -18.006 -2.352 2.697 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.456 -2.501 4.042 1.00 0.00 C ATOM 1316 C ALA A 82 -15.941 -2.324 4.057 1.00 0.00 C ATOM 1317 O ALA A 82 -15.290 -2.376 3.013 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.825 -3.859 4.617 1.00 0.00 C ATOM 0 H ALA A 82 -17.312 -2.365 1.949 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.891 -1.716 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.408 -3.955 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.910 -3.951 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.422 -4.646 3.979 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.395 -2.110 5.256 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.963 -1.946 5.420 1.00 0.00 C ATOM 1326 C GLY A 83 -13.307 -3.188 5.994 1.00 0.00 C ATOM 1327 O GLY A 83 -13.996 -4.147 6.353 1.00 0.00 O ATOM 0 H GLY A 83 -15.929 -2.047 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.513 -1.712 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.769 -1.098 6.077 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.977 -3.163 6.092 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.194 -4.334 6.502 1.00 0.00 C ATOM 1333 C PHE A 84 -9.699 -4.004 6.491 1.00 0.00 C ATOM 1334 O PHE A 84 -9.279 -3.056 5.827 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.471 -5.517 5.552 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.217 -5.214 4.093 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.145 -4.504 3.346 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.051 -5.634 3.472 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.916 -4.214 2.016 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.816 -5.350 2.142 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.748 -4.637 1.411 1.00 0.00 C ATOM 0 H PHE A 84 -11.413 -2.337 5.891 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.489 -4.611 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.848 -6.361 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.509 -5.829 5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.061 -4.173 3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.317 -6.191 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.648 -3.658 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.903 -5.685 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.564 -4.411 0.371 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.904 -4.758 7.252 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.448 -4.667 7.145 1.00 0.00 C ATOM 1353 C ILE A 85 -7.003 -5.155 5.774 1.00 0.00 C ATOM 1354 O ILE A 85 -7.396 -6.239 5.339 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.727 -5.496 8.239 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.815 -4.794 9.594 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.264 -5.751 7.872 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.097 -3.462 9.637 1.00 0.00 C ATOM 0 H ILE A 85 -9.239 -5.431 7.941 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.177 -3.621 7.284 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.232 -6.459 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.864 -4.639 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.396 -5.447 10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.788 -6.335 8.660 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.215 -6.302 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.745 -4.799 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.203 -3.023 10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.040 -3.611 9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.530 -2.791 8.895 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.199 -4.357 5.096 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.726 -4.717 3.776 1.00 0.00 C ATOM 1372 C LEU A 86 -4.218 -4.920 3.802 1.00 0.00 C ATOM 1373 O LEU A 86 -3.455 -3.963 3.939 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.121 -3.639 2.763 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.364 -4.162 1.349 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.447 -3.360 0.651 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.101 -4.106 0.533 1.00 0.00 C ATOM 0 H LEU A 86 -5.861 -3.457 5.438 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.191 -5.654 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.025 -3.142 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.335 -2.885 2.728 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.689 -5.199 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.600 -3.753 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.376 -3.435 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.143 -2.315 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.299 -4.484 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.754 -3.075 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.334 -4.719 1.007 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.770 -6.182 3.712 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.353 -6.516 3.693 1.00 0.00 C ATOM 1391 C PRO A 87 -1.721 -6.156 2.352 1.00 0.00 C ATOM 1392 O PRO A 87 -1.852 -6.889 1.364 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.315 -8.036 3.923 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.727 -8.448 4.201 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.609 -7.381 3.623 1.00 0.00 C ATOM 0 HA PRO A 87 -1.791 -5.965 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.923 -8.553 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.663 -8.288 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.944 -9.416 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.896 -8.551 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.890 -7.602 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.534 -7.270 4.189 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.062 -5.012 2.319 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.468 -4.496 1.102 1.00 0.00 C ATOM 1405 C ILE A 88 1.012 -4.852 1.036 1.00 0.00 C ATOM 1406 O ILE A 88 1.680 -4.935 2.061 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.631 -2.964 1.028 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.087 -2.580 1.308 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.202 -2.462 -0.340 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.265 -1.173 1.839 1.00 0.00 C ATOM 0 H ILE A 88 -0.924 -4.416 3.135 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.983 -4.952 0.256 1.00 0.00 H new ATOM 0 HB ILE A 88 0.003 -2.499 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.662 -2.685 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.505 -3.284 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.320 -1.379 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.843 -2.720 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.821 -2.926 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.324 -0.980 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.720 -1.066 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.880 -0.458 1.112 1.00 0.00 H new ATOM 1422 N GLU A 89 1.520 -5.064 -0.164 1.00 0.00 N ATOM 1423 CA GLU A 89 2.919 -5.414 -0.344 1.00 0.00 C ATOM 1424 C GLU A 89 3.617 -4.441 -1.276 1.00 0.00 C ATOM 1425 O GLU A 89 3.101 -4.102 -2.343 1.00 0.00 O ATOM 1426 CB GLU A 89 3.059 -6.821 -0.912 1.00 0.00 C ATOM 1427 CG GLU A 89 2.752 -7.926 0.079 1.00 0.00 C ATOM 1428 CD GLU A 89 3.055 -9.302 -0.489 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.218 -9.752 -0.397 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.136 -9.948 -1.032 1.00 0.00 O ATOM 0 H GLU A 89 0.985 -5.000 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 89 3.387 -5.367 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.393 -6.922 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.076 -6.952 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.336 -7.772 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.701 -7.875 0.364 1.00 0.00 H new ATOM 1437 N VAL A 90 4.795 -4.003 -0.869 1.00 0.00 N ATOM 1438 CA VAL A 90 5.636 -3.175 -1.713 1.00 0.00 C ATOM 1439 C VAL A 90 6.941 -3.922 -1.960 1.00 0.00 C ATOM 1440 O VAL A 90 7.764 -4.067 -1.053 1.00 0.00 O ATOM 1441 CB VAL A 90 5.906 -1.788 -1.080 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.481 -0.821 -2.103 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.624 -1.228 -0.494 1.00 0.00 C ATOM 0 H VAL A 90 5.192 -4.209 0.047 1.00 0.00 H new ATOM 0 HA VAL A 90 5.122 -2.987 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 90 6.640 -1.913 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.660 0.145 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.421 -1.216 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.775 -0.697 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.822 -0.252 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.879 -1.124 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.248 -1.905 0.273 1.00 0.00 H new ATOM 1453 N TYR A 91 7.097 -4.441 -3.169 1.00 0.00 N ATOM 1454 CA TYR A 91 8.234 -5.308 -3.491 1.00 0.00 C ATOM 1455 C TYR A 91 9.518 -4.517 -3.609 1.00 0.00 C ATOM 1456 O TYR A 91 9.572 -3.491 -4.274 1.00 0.00 O ATOM 1457 CB TYR A 91 8.010 -6.066 -4.795 1.00 0.00 C ATOM 1458 CG TYR A 91 7.275 -7.379 -4.651 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.097 -7.471 -3.929 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.765 -8.532 -5.253 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.426 -8.673 -3.813 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.100 -9.735 -5.141 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.930 -9.800 -4.422 1.00 0.00 C ATOM 1464 OH TYR A 91 5.258 -10.997 -4.307 1.00 0.00 O ATOM 0 H TYR A 91 6.455 -4.281 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 91 8.319 -6.019 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.451 -5.427 -5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.978 -6.257 -5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.697 -6.590 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.684 -8.485 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.508 -8.728 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.496 -10.621 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 91 5.745 -11.694 -4.795 1.00 0.00 H new ATOM 1474 N PHE A 92 10.553 -5.040 -3.004 1.00 0.00 N ATOM 1475 CA PHE A 92 11.846 -4.388 -2.974 1.00 0.00 C ATOM 1476 C PHE A 92 12.805 -5.059 -3.958 1.00 0.00 C ATOM 1477 O PHE A 92 12.598 -6.212 -4.351 1.00 0.00 O ATOM 1478 CB PHE A 92 12.413 -4.463 -1.554 1.00 0.00 C ATOM 1479 CG PHE A 92 11.666 -3.636 -0.547 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.110 -2.423 -0.909 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.546 -4.055 0.770 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.449 -1.643 0.015 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.878 -3.277 1.698 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.334 -2.071 1.315 1.00 0.00 C ATOM 0 H PHE A 92 10.527 -5.934 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 92 11.729 -3.345 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.409 -5.503 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.454 -4.139 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.195 -2.082 -1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.978 -4.997 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.022 -0.697 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.783 -3.614 2.720 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.815 -1.460 2.039 1.00 0.00 H new ATOM 1494 N LYS A 93 13.843 -4.337 -4.365 1.00 0.00 N ATOM 1495 CA LYS A 93 14.882 -4.908 -5.214 1.00 0.00 C ATOM 1496 C LYS A 93 16.077 -5.276 -4.348 1.00 0.00 C ATOM 1497 O LYS A 93 16.960 -4.442 -4.115 1.00 0.00 O ATOM 1498 CB LYS A 93 15.344 -3.908 -6.281 1.00 0.00 C ATOM 1499 CG LYS A 93 14.236 -3.350 -7.155 1.00 0.00 C ATOM 1500 CD LYS A 93 14.773 -2.242 -8.059 1.00 0.00 C ATOM 1501 CE LYS A 93 13.731 -1.738 -9.055 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.365 -1.063 -10.221 1.00 0.00 N ATOM 0 H LYS A 93 13.987 -3.357 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 93 14.472 -5.786 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.849 -3.079 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.081 -4.395 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.808 -4.147 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.433 -2.960 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.114 -1.410 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.641 -2.612 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.126 -2.575 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.056 -1.043 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.103 -0.057 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.399 -1.151 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.037 -1.509 -11.101 1.00 0.00 H new ATOM 1516 N ASN A 94 16.119 -6.513 -3.876 1.00 0.00 N ATOM 1517 CA ASN A 94 17.155 -6.919 -2.937 1.00 0.00 C ATOM 1518 C ASN A 94 17.878 -8.164 -3.422 1.00 0.00 C ATOM 1519 O ASN A 94 17.288 -9.032 -4.065 1.00 0.00 O ATOM 1520 CB ASN A 94 16.573 -7.206 -1.543 1.00 0.00 C ATOM 1521 CG ASN A 94 15.912 -6.010 -0.876 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.399 -5.113 -1.533 1.00 0.00 O ATOM 1523 ND2 ASN A 94 15.898 -6.008 0.446 1.00 0.00 N ATOM 0 H ASN A 94 15.455 -7.247 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 94 17.857 -6.088 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.841 -8.009 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.372 -7.570 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.450 -5.243 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.335 -6.772 0.962 1.00 0.00 H new ATOM 1530 N LYS A 95 19.165 -8.233 -3.127 1.00 0.00 N ATOM 1531 CA LYS A 95 19.932 -9.457 -3.308 1.00 0.00 C ATOM 1532 C LYS A 95 20.283 -10.019 -1.939 1.00 0.00 C ATOM 1533 O LYS A 95 20.967 -11.036 -1.806 1.00 0.00 O ATOM 1534 CB LYS A 95 21.200 -9.187 -4.105 1.00 0.00 C ATOM 1535 CG LYS A 95 20.939 -8.613 -5.488 1.00 0.00 C ATOM 1536 CD LYS A 95 22.223 -8.520 -6.314 1.00 0.00 C ATOM 1537 CE LYS A 95 23.385 -7.880 -5.553 1.00 0.00 C ATOM 1538 NZ LYS A 95 24.694 -8.355 -6.069 1.00 0.00 N ATOM 0 H LYS A 95 19.705 -7.450 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 95 19.334 -10.179 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.830 -8.495 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.760 -10.116 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.215 -9.238 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.495 -7.622 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.514 -9.520 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 95 22.026 -7.941 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 95 23.328 -6.795 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.302 -8.117 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 25.463 -7.904 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.756 -9.387 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 24.781 -8.107 -7.075 1.00 0.00 H new ATOM 1552 N GLU A 96 19.798 -9.315 -0.934 1.00 0.00 N ATOM 1553 CA GLU A 96 19.993 -9.662 0.462 1.00 0.00 C ATOM 1554 C GLU A 96 18.628 -9.813 1.137 1.00 0.00 C ATOM 1555 O GLU A 96 17.671 -10.227 0.482 1.00 0.00 O ATOM 1556 CB GLU A 96 20.861 -8.604 1.168 1.00 0.00 C ATOM 1557 CG GLU A 96 20.401 -7.176 0.946 1.00 0.00 C ATOM 1558 CD GLU A 96 21.110 -6.204 1.861 1.00 0.00 C ATOM 1559 OE1 GLU A 96 22.230 -5.774 1.522 1.00 0.00 O ATOM 1560 OE2 GLU A 96 20.565 -5.892 2.934 1.00 0.00 O ATOM 0 H GLU A 96 19.246 -8.468 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 96 20.524 -10.611 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.867 -8.810 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.889 -8.701 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.581 -6.894 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.326 -7.112 1.112 1.00 0.00 H new ATOM 1567 N GLU A 97 18.579 -9.542 2.448 1.00 0.00 N ATOM 1568 CA GLU A 97 17.363 -9.660 3.283 1.00 0.00 C ATOM 1569 C GLU A 97 16.048 -9.252 2.580 1.00 0.00 C ATOM 1570 O GLU A 97 16.076 -8.578 1.553 1.00 0.00 O ATOM 1571 CB GLU A 97 17.542 -8.847 4.569 1.00 0.00 C ATOM 1572 CG GLU A 97 18.051 -7.435 4.368 1.00 0.00 C ATOM 1573 CD GLU A 97 18.316 -6.749 5.688 1.00 0.00 C ATOM 1574 OE1 GLU A 97 19.176 -7.240 6.453 1.00 0.00 O ATOM 1575 OE2 GLU A 97 17.661 -5.730 5.978 1.00 0.00 O ATOM 0 H GLU A 97 19.395 -9.228 2.973 1.00 0.00 H new ATOM 0 HA GLU A 97 17.256 -10.723 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.585 -8.802 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 97 18.235 -9.377 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 97 18.967 -7.458 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.320 -6.861 3.799 1.00 0.00 H new ATOM 1582 N PRO A 98 14.880 -9.595 3.197 1.00 0.00 N ATOM 1583 CA PRO A 98 13.549 -9.610 2.560 1.00 0.00 C ATOM 1584 C PRO A 98 13.338 -8.572 1.460 1.00 0.00 C ATOM 1585 O PRO A 98 13.539 -7.373 1.655 1.00 0.00 O ATOM 1586 CB PRO A 98 12.588 -9.342 3.738 1.00 0.00 C ATOM 1587 CG PRO A 98 13.464 -9.180 4.933 1.00 0.00 C ATOM 1588 CD PRO A 98 14.719 -9.930 4.610 1.00 0.00 C ATOM 0 HA PRO A 98 13.394 -10.556 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.992 -8.446 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.890 -10.168 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.674 -8.128 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.986 -9.580 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.565 -9.599 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.613 -11.003 4.771 1.00 0.00 H new ATOM 1596 N ARG A 99 12.891 -9.060 0.310 1.00 0.00 N ATOM 1597 CA ARG A 99 12.671 -8.227 -0.860 1.00 0.00 C ATOM 1598 C ARG A 99 11.226 -7.768 -0.913 1.00 0.00 C ATOM 1599 O ARG A 99 10.695 -7.457 -1.977 1.00 0.00 O ATOM 1600 CB ARG A 99 12.998 -9.007 -2.122 1.00 0.00 C ATOM 1601 CG ARG A 99 14.181 -9.922 -1.942 1.00 0.00 C ATOM 1602 CD ARG A 99 14.670 -10.473 -3.268 1.00 0.00 C ATOM 1603 NE ARG A 99 13.582 -10.643 -4.229 1.00 0.00 N ATOM 1604 CZ ARG A 99 13.063 -11.815 -4.583 1.00 0.00 C ATOM 1605 NH1 ARG A 99 13.478 -12.941 -4.010 1.00 0.00 N ATOM 1606 NH2 ARG A 99 12.107 -11.852 -5.501 1.00 0.00 N ATOM 0 H ARG A 99 12.671 -10.045 0.164 1.00 0.00 H new ATOM 0 HA ARG A 99 13.322 -7.355 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.129 -9.595 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.202 -8.309 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.990 -9.379 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.907 -10.747 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.419 -9.800 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.160 -11.433 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 99 13.193 -9.803 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.201 -12.911 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.073 -13.835 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.777 -10.987 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.702 -12.746 -5.780 1.00 0.00 H new ATOM 1620 N LYS A 100 10.573 -7.797 0.229 1.00 0.00 N ATOM 1621 CA LYS A 100 9.191 -7.356 0.317 1.00 0.00 C ATOM 1622 C LYS A 100 8.882 -6.792 1.690 1.00 0.00 C ATOM 1623 O LYS A 100 9.390 -7.272 2.706 1.00 0.00 O ATOM 1624 CB LYS A 100 8.219 -8.502 0.024 1.00 0.00 C ATOM 1625 CG LYS A 100 8.375 -9.683 0.973 1.00 0.00 C ATOM 1626 CD LYS A 100 7.137 -10.574 1.020 1.00 0.00 C ATOM 1627 CE LYS A 100 7.008 -11.475 -0.201 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.551 -10.730 -1.398 1.00 0.00 N ATOM 0 H LYS A 100 10.973 -8.120 1.110 1.00 0.00 H new ATOM 0 HA LYS A 100 9.062 -6.576 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.197 -8.127 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.371 -8.845 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.234 -10.279 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.588 -9.312 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.173 -11.191 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.248 -9.948 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.971 -11.941 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.305 -12.279 0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.065 -11.381 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.895 -9.976 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.371 -10.309 -1.879 1.00 0.00 H new ATOM 1642 N VAL A 101 8.052 -5.770 1.705 1.00 0.00 N ATOM 1643 CA VAL A 101 7.505 -5.246 2.935 1.00 0.00 C ATOM 1644 C VAL A 101 5.988 -5.373 2.879 1.00 0.00 C ATOM 1645 O VAL A 101 5.382 -5.155 1.825 1.00 0.00 O ATOM 1646 CB VAL A 101 7.920 -3.773 3.161 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.324 -2.858 2.095 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.540 -3.313 4.557 1.00 0.00 C ATOM 0 H VAL A 101 7.739 -5.281 0.866 1.00 0.00 H new ATOM 0 HA VAL A 101 7.900 -5.818 3.774 1.00 0.00 H new ATOM 0 HB VAL A 101 9.005 -3.714 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.635 -1.830 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.675 -3.169 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.236 -2.920 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.842 -2.274 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.461 -3.397 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.044 -3.937 5.295 1.00 0.00 H new ATOM 1658 N ARG A 102 5.374 -5.762 3.983 1.00 0.00 N ATOM 1659 CA ARG A 102 3.941 -5.966 4.000 1.00 0.00 C ATOM 1660 C ARG A 102 3.295 -4.999 4.969 1.00 0.00 C ATOM 1661 O ARG A 102 3.491 -5.090 6.181 1.00 0.00 O ATOM 1662 CB ARG A 102 3.589 -7.400 4.388 1.00 0.00 C ATOM 1663 CG ARG A 102 2.192 -7.818 3.921 1.00 0.00 C ATOM 1664 CD ARG A 102 1.641 -8.979 4.719 1.00 0.00 C ATOM 1665 NE ARG A 102 1.375 -8.615 6.112 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.899 -9.242 7.160 1.00 0.00 C ATOM 1667 NH1 ARG A 102 2.750 -10.244 6.983 1.00 0.00 N ATOM 1668 NH2 ARG A 102 1.583 -8.857 8.390 1.00 0.00 N ATOM 0 H ARG A 102 5.843 -5.941 4.871 1.00 0.00 H new ATOM 0 HA ARG A 102 3.562 -5.784 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.327 -8.078 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.650 -7.503 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.514 -6.968 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.231 -8.091 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.720 -9.332 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.350 -9.807 4.690 1.00 0.00 H new ATOM 0 HE ARG A 102 0.748 -7.830 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.005 -10.536 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.150 -10.722 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.938 -8.080 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.985 -9.338 9.194 1.00 0.00 H new ATOM 1682 N PHE A 103 2.532 -4.076 4.429 1.00 0.00 N ATOM 1683 CA PHE A 103 1.886 -3.062 5.228 1.00 0.00 C ATOM 1684 C PHE A 103 0.422 -3.412 5.443 1.00 0.00 C ATOM 1685 O PHE A 103 -0.376 -3.381 4.506 1.00 0.00 O ATOM 1686 CB PHE A 103 2.014 -1.701 4.548 1.00 0.00 C ATOM 1687 CG PHE A 103 3.428 -1.203 4.437 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.297 -1.285 5.515 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.876 -0.623 3.263 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.585 -0.796 5.420 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.164 -0.139 3.162 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.018 -0.223 4.241 1.00 0.00 C ATOM 0 H PHE A 103 2.343 -4.008 3.429 1.00 0.00 H new ATOM 0 HA PHE A 103 2.376 -3.015 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.582 -1.763 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.425 -0.972 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.963 -1.736 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.210 -0.548 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.252 -0.862 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.503 0.306 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.025 0.159 4.164 1.00 0.00 H new ATOM 1702 N ASP A 104 0.077 -3.763 6.671 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.302 -4.086 7.008 1.00 0.00 C ATOM 1704 C ASP A 104 -2.054 -2.799 7.287 1.00 0.00 C ATOM 1705 O ASP A 104 -2.179 -2.364 8.434 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.375 -5.026 8.215 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.507 -6.259 8.051 1.00 0.00 C ATOM 1708 OD1 ASP A 104 -0.723 -7.031 7.095 1.00 0.00 O ATOM 1709 OD2 ASP A 104 0.411 -6.460 8.877 1.00 0.00 O ATOM 0 H ASP A 104 0.731 -3.832 7.451 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.761 -4.605 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.066 -4.486 9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.409 -5.333 8.369 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.544 -2.190 6.222 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.176 -0.889 6.312 1.00 0.00 C ATOM 1716 C TYR A 105 -4.664 -1.046 6.597 1.00 0.00 C ATOM 1717 O TYR A 105 -5.325 -1.919 6.032 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.946 -0.112 5.010 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.516 1.284 5.028 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -2.951 2.282 5.810 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.626 1.595 4.268 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.483 3.557 5.835 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.164 2.858 4.278 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.589 3.841 5.064 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.138 5.103 5.096 1.00 0.00 O ATOM 0 H TYR A 105 -2.515 -2.580 5.280 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.732 -0.328 7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.875 -0.055 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.391 -0.666 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.081 2.058 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.079 0.831 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.037 4.323 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.032 3.083 3.675 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.040 5.077 4.713 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.185 -0.213 7.486 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.582 -0.301 7.881 1.00 0.00 C ATOM 1737 C ASP A 106 -7.472 0.475 6.914 1.00 0.00 C ATOM 1738 O ASP A 106 -7.429 1.706 6.862 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.763 0.227 9.306 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.195 0.127 9.785 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.638 -0.993 10.104 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.888 1.166 9.852 1.00 0.00 O ATOM 0 H ASP A 106 -4.661 0.531 7.947 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.879 -1.349 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.117 -0.334 9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.441 1.268 9.348 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.263 -0.248 6.134 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.183 0.373 5.198 1.00 0.00 C ATOM 1749 C LEU A 107 -10.506 0.693 5.881 1.00 0.00 C ATOM 1750 O LEU A 107 -11.326 -0.197 6.096 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.454 -0.554 4.015 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.844 -0.130 2.681 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.336 -0.282 2.695 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.456 -0.940 1.561 1.00 0.00 C ATOM 0 H LEU A 107 -8.284 -1.268 6.133 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.722 1.294 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.080 -1.547 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.533 -0.642 3.887 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.064 0.925 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.930 0.027 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.915 0.342 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.077 -1.325 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.019 -0.635 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.259 -1.999 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.533 -0.771 1.536 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.717 1.953 6.227 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.994 2.353 6.804 1.00 0.00 C ATOM 1768 C PHE A 108 -12.755 3.244 5.834 1.00 0.00 C ATOM 1769 O PHE A 108 -12.168 4.064 5.127 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.824 3.052 8.168 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.199 4.422 8.119 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.986 5.550 7.928 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.834 4.587 8.280 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.424 6.810 7.893 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.266 5.847 8.248 1.00 0.00 C ATOM 1776 CZ PHE A 108 -10.062 6.959 8.054 1.00 0.00 C ATOM 0 H PHE A 108 -10.036 2.705 6.122 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.571 1.445 6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.803 3.135 8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.214 2.416 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.053 5.440 7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.206 3.722 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -12.049 7.677 7.740 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.200 5.962 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.619 7.944 8.028 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.058 3.061 5.784 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.919 3.885 4.956 1.00 0.00 C ATOM 1788 C LEU A 109 -15.836 4.689 5.873 1.00 0.00 C ATOM 1789 O LEU A 109 -16.135 4.249 6.984 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.743 2.998 4.011 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.942 1.942 3.233 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.842 1.166 2.288 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.809 2.589 2.455 1.00 0.00 C ATOM 0 H LEU A 109 -14.550 2.341 6.313 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.322 4.563 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.511 2.490 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.258 3.639 3.295 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.517 1.248 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.251 0.425 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.622 0.663 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.300 1.852 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.256 1.822 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.219 3.310 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.138 3.099 3.146 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.258 5.868 5.440 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.174 6.673 6.245 1.00 0.00 C ATOM 1807 C HIS A 110 -18.621 6.407 5.845 1.00 0.00 C ATOM 1808 O HIS A 110 -18.880 5.735 4.843 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.839 8.167 6.164 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.806 8.593 7.164 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -14.875 9.586 6.931 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -15.572 8.155 8.423 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -14.116 9.734 8.002 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -14.519 8.878 8.919 1.00 0.00 N ATOM 0 H HIS A 110 -15.988 6.287 4.550 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.049 6.374 7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.482 8.399 5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.749 8.746 6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.115 7.379 8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.303 10.437 8.108 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.113 8.771 9.848 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.554 6.947 6.614 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.956 6.559 6.512 1.00 0.00 C ATOM 1825 C LEU A 111 -21.610 6.991 5.202 1.00 0.00 C ATOM 1826 O LEU A 111 -21.311 8.048 4.630 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.745 7.096 7.704 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.308 6.016 8.634 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.405 5.227 7.939 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.206 5.073 9.084 1.00 0.00 C ATOM 0 H LEU A 111 -19.366 7.659 7.320 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.976 5.469 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.099 7.755 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.570 7.704 7.333 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.730 6.512 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.791 4.466 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.212 5.901 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.000 4.748 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.624 4.313 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.760 4.592 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.441 5.636 9.619 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.122 10.674 3.103 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.963 9.879 3.472 1.00 0.00 C ATOM 1912 C VAL A 117 -10.773 10.167 2.566 1.00 0.00 C ATOM 1913 O VAL A 117 -10.801 9.860 1.378 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.278 8.372 3.439 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.020 7.557 3.666 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.332 8.016 4.473 1.00 0.00 C ATOM 0 HA VAL A 117 -11.704 10.163 4.492 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.673 8.132 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.265 6.495 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.294 7.782 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.595 7.807 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.537 6.946 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.969 8.276 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.248 8.570 4.265 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.742 10.778 3.136 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.486 11.010 2.429 1.00 0.00 C ATOM 1928 C ASN A 118 -7.321 10.901 3.409 1.00 0.00 C ATOM 1929 O ASN A 118 -7.025 11.856 4.128 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.486 12.398 1.780 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.322 12.604 0.821 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.499 12.551 -0.392 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -6.121 12.809 1.342 1.00 0.00 N ATOM 0 H ASN A 118 -9.751 11.125 4.095 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.378 10.258 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.423 12.542 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.446 13.158 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.313 12.928 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.004 12.848 2.355 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.663 9.749 3.453 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.589 9.536 4.416 1.00 0.00 C ATOM 1942 C HIS A 119 -4.298 9.079 3.745 1.00 0.00 C ATOM 1943 O HIS A 119 -4.324 8.322 2.775 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.014 8.496 5.448 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.043 8.330 6.579 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.318 7.175 6.777 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.672 9.179 7.567 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -3.544 7.321 7.835 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -3.739 8.526 8.333 1.00 0.00 N ATOM 0 H HIS A 119 -6.851 8.955 2.840 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.396 10.493 4.901 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -6.985 8.778 5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.144 7.535 4.949 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.372 6.338 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.041 10.182 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.865 6.578 8.227 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.183 9.548 4.294 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.843 9.150 3.872 1.00 0.00 C ATOM 1960 C LEU A 120 -0.873 9.223 5.051 1.00 0.00 C ATOM 1961 O LEU A 120 -1.052 10.032 5.963 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.356 10.044 2.723 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.736 9.579 1.322 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.610 10.724 0.335 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.837 8.433 0.892 1.00 0.00 C ATOM 0 H LEU A 120 -3.184 10.226 5.056 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.882 8.120 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.753 11.048 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.270 10.119 2.780 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.771 9.237 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.884 10.377 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.274 11.536 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.581 11.083 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.116 8.108 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.201 8.766 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.949 7.602 1.588 1.00 0.00 H new ATOM 1977 N ARG A 121 0.131 8.357 5.034 1.00 0.00 N ATOM 1978 CA ARG A 121 1.156 8.315 6.081 1.00 0.00 C ATOM 1979 C ARG A 121 2.451 7.789 5.458 1.00 0.00 C ATOM 1980 O ARG A 121 2.385 7.005 4.523 1.00 0.00 O ATOM 1981 CB ARG A 121 0.700 7.402 7.264 1.00 0.00 C ATOM 1982 CG ARG A 121 1.431 6.052 7.380 1.00 0.00 C ATOM 1983 CD ARG A 121 0.807 4.907 6.577 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.256 4.243 7.331 1.00 0.00 N ATOM 1985 CZ ARG A 121 -0.172 2.985 7.761 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.908 2.260 7.491 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -1.166 2.456 8.463 1.00 0.00 N ATOM 0 H ARG A 121 0.262 7.663 4.298 1.00 0.00 H new ATOM 0 HA ARG A 121 1.317 9.314 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.836 7.950 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.368 7.209 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.462 6.185 7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.464 5.763 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.404 5.294 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.578 4.182 6.316 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.105 4.770 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.674 2.667 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.971 1.297 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.994 3.013 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.102 1.493 8.792 1.00 0.00 H new ATOM 2001 N CYS A 122 3.612 8.257 5.917 1.00 0.00 N ATOM 2002 CA CYS A 122 4.882 7.698 5.448 1.00 0.00 C ATOM 2003 C CYS A 122 5.494 6.734 6.474 1.00 0.00 C ATOM 2004 O CYS A 122 5.604 7.058 7.659 1.00 0.00 O ATOM 2005 CB CYS A 122 5.872 8.814 5.128 1.00 0.00 C ATOM 2006 SG CYS A 122 5.225 10.076 4.006 1.00 0.00 S ATOM 0 H CYS A 122 3.701 9.008 6.601 1.00 0.00 H new ATOM 0 HA CYS A 122 4.672 7.133 4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.177 9.293 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 122 6.767 8.376 4.687 1.00 0.00 H new ATOM 0 HG CYS A 122 4.182 9.611 3.385 1.00 0.00 H new ATOM 2012 N GLU A 123 5.879 5.549 6.003 1.00 0.00 N ATOM 2013 CA GLU A 123 6.543 4.538 6.822 1.00 0.00 C ATOM 2014 C GLU A 123 8.050 4.623 6.619 1.00 0.00 C ATOM 2015 O GLU A 123 8.514 5.217 5.649 1.00 0.00 O ATOM 2016 CB GLU A 123 6.073 3.123 6.435 1.00 0.00 C ATOM 2017 CG GLU A 123 4.578 3.007 6.187 1.00 0.00 C ATOM 2018 CD GLU A 123 4.163 3.617 4.879 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.601 3.117 3.830 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.387 4.585 4.909 1.00 0.00 O ATOM 0 H GLU A 123 5.737 5.262 5.035 1.00 0.00 H new ATOM 0 HA GLU A 123 6.289 4.726 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.604 2.810 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.353 2.430 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.291 1.956 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.039 3.495 6.999 1.00 0.00 H new ATOM 2027 N LYS A 124 8.817 4.022 7.519 1.00 0.00 N ATOM 2028 CA LYS A 124 10.262 4.085 7.439 1.00 0.00 C ATOM 2029 C LYS A 124 10.864 2.693 7.569 1.00 0.00 C ATOM 2030 O LYS A 124 10.506 1.936 8.471 1.00 0.00 O ATOM 2031 CB LYS A 124 10.801 4.992 8.542 1.00 0.00 C ATOM 2032 CG LYS A 124 12.315 5.154 8.521 1.00 0.00 C ATOM 2033 CD LYS A 124 12.832 5.760 9.800 1.00 0.00 C ATOM 2034 CE LYS A 124 12.719 4.768 10.938 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.626 5.105 12.066 1.00 0.00 N ATOM 0 H LYS A 124 8.459 3.487 8.310 1.00 0.00 H new ATOM 0 HA LYS A 124 10.542 4.494 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.339 5.975 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.502 4.589 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.782 4.182 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.601 5.784 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.872 6.060 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.267 6.661 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.690 4.743 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.953 3.768 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.516 4.400 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.611 5.103 11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.387 6.048 12.434 1.00 0.00 H new ATOM 2049 N LEU A 125 11.761 2.357 6.659 1.00 0.00 N ATOM 2050 CA LEU A 125 12.459 1.083 6.703 1.00 0.00 C ATOM 2051 C LEU A 125 13.961 1.329 6.827 1.00 0.00 C ATOM 2052 O LEU A 125 14.567 1.915 5.931 1.00 0.00 O ATOM 2053 CB LEU A 125 12.160 0.300 5.423 1.00 0.00 C ATOM 2054 CG LEU A 125 10.677 0.222 5.037 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.506 0.250 3.526 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.047 -1.039 5.610 1.00 0.00 C ATOM 0 H LEU A 125 12.025 2.953 5.875 1.00 0.00 H new ATOM 0 HA LEU A 125 12.121 0.506 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.710 0.757 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.543 -0.714 5.538 1.00 0.00 H new ATOM 0 HG LEU A 125 10.173 1.093 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.446 0.193 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.922 1.176 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.027 -0.600 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.995 -1.081 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.563 -1.915 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.131 -1.026 6.697 1.00 0.00 H new ATOM 2068 N THR A 126 14.554 0.909 7.936 1.00 0.00 N ATOM 2069 CA THR A 126 15.976 1.143 8.168 1.00 0.00 C ATOM 2070 C THR A 126 16.779 -0.139 7.967 1.00 0.00 C ATOM 2071 O THR A 126 16.524 -1.153 8.621 1.00 0.00 O ATOM 2072 CB THR A 126 16.233 1.672 9.589 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.145 2.510 10.005 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.518 2.473 9.629 1.00 0.00 C ATOM 0 H THR A 126 14.078 0.408 8.686 1.00 0.00 H new ATOM 0 HA THR A 126 16.297 1.893 7.445 1.00 0.00 H new ATOM 0 HB THR A 126 16.318 0.819 10.263 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.315 2.841 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.686 2.841 10.641 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.352 1.838 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.442 3.318 8.944 1.00 0.00 H new ATOM 2082 N PHE A 127 17.741 -0.090 7.058 1.00 0.00 N ATOM 2083 CA PHE A 127 18.583 -1.244 6.769 1.00 0.00 C ATOM 2084 C PHE A 127 20.021 -0.976 7.206 1.00 0.00 C ATOM 2085 O PHE A 127 20.760 -0.247 6.543 1.00 0.00 O ATOM 2086 CB PHE A 127 18.523 -1.569 5.275 1.00 0.00 C ATOM 2087 CG PHE A 127 17.122 -1.804 4.783 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.541 -3.071 4.812 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.375 -0.743 4.303 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.245 -3.255 4.373 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.086 -0.926 3.862 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.518 -2.182 3.897 1.00 0.00 C ATOM 0 H PHE A 127 17.959 0.739 6.505 1.00 0.00 H new ATOM 0 HA PHE A 127 18.213 -2.103 7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.968 -0.749 4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.126 -2.455 5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.108 -3.913 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.811 0.244 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.800 -4.239 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.518 -0.087 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.505 -2.326 3.552 1.00 0.00 H new ATOM 2102 N ASN A 128 20.393 -1.553 8.342 1.00 0.00 N ATOM 2103 CA ASN A 128 21.713 -1.345 8.930 1.00 0.00 C ATOM 2104 C ASN A 128 22.771 -2.204 8.246 1.00 0.00 C ATOM 2105 O ASN A 128 22.695 -3.432 8.279 1.00 0.00 O ATOM 2106 CB ASN A 128 21.692 -1.671 10.423 1.00 0.00 C ATOM 2107 CG ASN A 128 20.913 -0.657 11.241 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.477 0.315 11.741 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.614 -0.870 11.377 1.00 0.00 N ATOM 0 H ASN A 128 19.792 -2.176 8.881 1.00 0.00 H new ATOM 0 HA ASN A 128 21.969 -0.295 8.787 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.255 -2.659 10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.716 -1.719 10.793 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.043 -0.216 11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.184 -1.688 10.947 1.00 0.00 H new ATOM 2116 N ASN A 129 23.753 -1.545 7.638 1.00 0.00 N ATOM 2117 CA ASN A 129 24.904 -2.218 7.022 1.00 0.00 C ATOM 2118 C ASN A 129 24.481 -3.172 5.898 1.00 0.00 C ATOM 2119 O ASN A 129 24.641 -4.389 6.019 1.00 0.00 O ATOM 2120 CB ASN A 129 25.714 -2.992 8.079 1.00 0.00 C ATOM 2121 CG ASN A 129 26.258 -2.092 9.187 1.00 0.00 C ATOM 2122 OD1 ASN A 129 26.690 -0.969 8.924 1.00 0.00 O ATOM 2123 ND2 ASN A 129 26.210 -2.548 10.443 1.00 0.00 N ATOM 0 H ASN A 129 23.778 -0.529 7.556 1.00 0.00 H new ATOM 0 HA ASN A 129 25.528 -1.438 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.082 -3.763 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.545 -3.502 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 129 26.536 -1.962 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 129 25.847 -3.482 10.633 1.00 0.00 H new ATOM 2130 N PRO A 130 23.934 -2.643 4.786 1.00 0.00 N ATOM 2131 CA PRO A 130 23.547 -3.445 3.634 1.00 0.00 C ATOM 2132 C PRO A 130 24.655 -3.505 2.584 1.00 0.00 C ATOM 2133 O PRO A 130 25.684 -2.834 2.717 1.00 0.00 O ATOM 2134 CB PRO A 130 22.338 -2.679 3.097 1.00 0.00 C ATOM 2135 CG PRO A 130 22.555 -1.249 3.495 1.00 0.00 C ATOM 2136 CD PRO A 130 23.642 -1.224 4.548 1.00 0.00 C ATOM 0 HA PRO A 130 23.341 -4.485 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.262 -2.777 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.410 -3.066 3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.846 -0.652 2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.634 -0.817 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.524 -0.687 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 130 23.306 -0.727 5.458 1.00 0.00 H new ATOM 2144 N THR A 131 24.456 -4.308 1.547 1.00 0.00 N ATOM 2145 CA THR A 131 25.416 -4.380 0.457 1.00 0.00 C ATOM 2146 C THR A 131 25.341 -3.110 -0.391 1.00 0.00 C ATOM 2147 O THR A 131 24.322 -2.409 -0.363 1.00 0.00 O ATOM 2148 CB THR A 131 25.199 -5.626 -0.443 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.203 -5.672 -1.465 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.820 -5.620 -1.094 1.00 0.00 C ATOM 0 H THR A 131 23.643 -4.915 1.439 1.00 0.00 H new ATOM 0 HA THR A 131 26.405 -4.470 0.906 1.00 0.00 H new ATOM 0 HB THR A 131 25.272 -6.507 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.061 -6.462 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.707 -6.508 -1.716 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.052 -5.619 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.713 -4.729 -1.712 1.00 0.00 H new ATOM 2158 N GLU A 132 26.404 -2.804 -1.131 1.00 0.00 N ATOM 2159 CA GLU A 132 26.449 -1.572 -1.912 1.00 0.00 C ATOM 2160 C GLU A 132 25.272 -1.500 -2.872 1.00 0.00 C ATOM 2161 O GLU A 132 24.605 -0.481 -2.947 1.00 0.00 O ATOM 2162 CB GLU A 132 27.753 -1.443 -2.700 1.00 0.00 C ATOM 2163 CG GLU A 132 27.947 -0.068 -3.319 1.00 0.00 C ATOM 2164 CD GLU A 132 28.283 1.001 -2.297 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.831 0.897 -1.136 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.010 1.951 -2.655 1.00 0.00 O ATOM 0 H GLU A 132 27.238 -3.386 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 132 26.393 -0.746 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.592 -1.658 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.769 -2.195 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.745 -0.119 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.038 0.217 -3.849 1.00 0.00 H new ATOM 2173 N ASP A 133 25.008 -2.598 -3.578 1.00 0.00 N ATOM 2174 CA ASP A 133 23.922 -2.649 -4.562 1.00 0.00 C ATOM 2175 C ASP A 133 22.598 -2.188 -3.950 1.00 0.00 C ATOM 2176 O ASP A 133 21.816 -1.469 -4.587 1.00 0.00 O ATOM 2177 CB ASP A 133 23.764 -4.067 -5.116 1.00 0.00 C ATOM 2178 CG ASP A 133 24.935 -4.498 -5.976 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.946 -4.977 -5.420 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.848 -4.363 -7.214 1.00 0.00 O ATOM 0 H ASP A 133 25.532 -3.469 -3.488 1.00 0.00 H new ATOM 0 HA ASP A 133 24.184 -1.972 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.652 -4.765 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.848 -4.122 -5.704 1.00 0.00 H new ATOM 2185 N PHE A 134 22.347 -2.589 -2.709 1.00 0.00 N ATOM 2186 CA PHE A 134 21.126 -2.193 -2.027 1.00 0.00 C ATOM 2187 C PHE A 134 21.205 -0.723 -1.641 1.00 0.00 C ATOM 2188 O PHE A 134 20.372 0.081 -2.060 1.00 0.00 O ATOM 2189 CB PHE A 134 20.873 -3.043 -0.780 1.00 0.00 C ATOM 2190 CG PHE A 134 19.447 -2.935 -0.309 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.407 -2.890 -1.230 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.140 -2.857 1.040 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.104 -2.770 -0.814 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.830 -2.741 1.458 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.812 -2.697 0.528 1.00 0.00 C ATOM 0 H PHE A 134 22.969 -3.183 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 134 20.294 -2.351 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.106 -4.085 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.544 -2.726 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.626 -2.950 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.934 -2.887 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.307 -2.733 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.602 -2.685 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.786 -2.605 0.854 1.00 0.00 H new ATOM 2205 N ARG A 135 22.221 -0.398 -0.842 1.00 0.00 N ATOM 2206 CA ARG A 135 22.540 0.986 -0.461 1.00 0.00 C ATOM 2207 C ARG A 135 22.417 1.945 -1.643 1.00 0.00 C ATOM 2208 O ARG A 135 21.726 2.956 -1.577 1.00 0.00 O ATOM 2209 CB ARG A 135 23.953 1.033 0.134 1.00 0.00 C ATOM 2210 CG ARG A 135 24.712 2.336 -0.119 1.00 0.00 C ATOM 2211 CD ARG A 135 25.718 2.611 0.996 1.00 0.00 C ATOM 2212 NE ARG A 135 26.593 1.460 1.232 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.766 0.871 2.417 1.00 0.00 C ATOM 2214 NH1 ARG A 135 26.163 1.340 3.503 1.00 0.00 N ATOM 2215 NH2 ARG A 135 27.566 -0.178 2.525 1.00 0.00 N ATOM 0 H ARG A 135 22.852 -1.089 -0.436 1.00 0.00 H new ATOM 0 HA ARG A 135 21.817 1.313 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 135 23.885 0.872 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.532 0.206 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.231 2.278 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.006 3.164 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.322 3.480 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.185 2.857 1.914 1.00 0.00 H new ATOM 0 HE ARG A 135 27.106 1.082 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 135 25.559 2.160 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 135 26.303 0.881 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 135 28.051 -0.537 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.698 -0.628 3.431 1.00 0.00 H new ATOM 2229 N ARG A 136 23.078 1.580 -2.713 1.00 0.00 N ATOM 2230 CA ARG A 136 23.130 2.347 -3.945 1.00 0.00 C ATOM 2231 C ARG A 136 21.732 2.687 -4.469 1.00 0.00 C ATOM 2232 O ARG A 136 21.461 3.838 -4.815 1.00 0.00 O ATOM 2233 CB ARG A 136 23.914 1.519 -4.956 1.00 0.00 C ATOM 2234 CG ARG A 136 24.119 2.139 -6.314 1.00 0.00 C ATOM 2235 CD ARG A 136 24.517 1.064 -7.302 1.00 0.00 C ATOM 2236 NE ARG A 136 23.367 0.326 -7.820 1.00 0.00 N ATOM 2237 CZ ARG A 136 23.385 -0.979 -8.077 1.00 0.00 C ATOM 2238 NH1 ARG A 136 24.482 -1.689 -7.837 1.00 0.00 N ATOM 2239 NH2 ARG A 136 22.314 -1.578 -8.576 1.00 0.00 N ATOM 0 H ARG A 136 23.614 0.713 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 136 23.620 3.305 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 136 24.893 1.297 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 136 23.401 0.567 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.204 2.630 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 136 24.892 2.906 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.056 1.520 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.204 0.368 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 136 22.503 0.840 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.311 -1.233 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 136 24.495 -2.690 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 136 21.469 -1.038 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 136 22.334 -2.579 -8.771 1.00 0.00 H new ATOM 2253 N LYS A 137 20.841 1.699 -4.515 1.00 0.00 N ATOM 2254 CA LYS A 137 19.475 1.947 -4.980 1.00 0.00 C ATOM 2255 C LYS A 137 18.712 2.811 -3.982 1.00 0.00 C ATOM 2256 O LYS A 137 18.032 3.771 -4.361 1.00 0.00 O ATOM 2257 CB LYS A 137 18.717 0.638 -5.224 1.00 0.00 C ATOM 2258 CG LYS A 137 19.195 -0.119 -6.456 1.00 0.00 C ATOM 2259 CD LYS A 137 18.276 -1.283 -6.803 1.00 0.00 C ATOM 2260 CE LYS A 137 18.837 -2.623 -6.348 1.00 0.00 C ATOM 2261 NZ LYS A 137 19.069 -2.679 -4.880 1.00 0.00 N ATOM 0 H LYS A 137 21.033 0.735 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 137 19.548 2.480 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.824 -0.003 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.655 0.857 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.249 0.565 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.204 -0.493 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.302 -1.124 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 137 18.116 -1.307 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 137 18.147 -3.417 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.776 -2.815 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 18.918 -3.651 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.045 -2.387 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.406 -2.038 -4.399 1.00 0.00 H new ATOM 2275 N LEU A 138 18.844 2.467 -2.705 1.00 0.00 N ATOM 2276 CA LEU A 138 18.200 3.208 -1.622 1.00 0.00 C ATOM 2277 C LEU A 138 18.592 4.687 -1.655 1.00 0.00 C ATOM 2278 O LEU A 138 17.783 5.563 -1.347 1.00 0.00 O ATOM 2279 CB LEU A 138 18.587 2.615 -0.266 1.00 0.00 C ATOM 2280 CG LEU A 138 18.328 1.117 -0.079 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.559 0.712 1.368 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.924 0.751 -0.511 1.00 0.00 C ATOM 0 H LEU A 138 19.398 1.670 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 138 17.122 3.126 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.648 2.801 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.045 3.155 0.510 1.00 0.00 H new ATOM 0 HG LEU A 138 19.031 0.573 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.370 -0.355 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.590 0.930 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.883 1.271 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.766 -0.318 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.203 1.308 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.791 1.000 -1.564 1.00 0.00 H new ATOM 2294 N LEU A 139 19.838 4.952 -2.029 1.00 0.00 N ATOM 2295 CA LEU A 139 20.367 6.309 -2.054 1.00 0.00 C ATOM 2296 C LEU A 139 19.993 7.055 -3.331 1.00 0.00 C ATOM 2297 O LEU A 139 19.982 8.285 -3.351 1.00 0.00 O ATOM 2298 CB LEU A 139 21.883 6.272 -1.886 1.00 0.00 C ATOM 2299 CG LEU A 139 22.348 5.662 -0.568 1.00 0.00 C ATOM 2300 CD1 LEU A 139 23.859 5.551 -0.520 1.00 0.00 C ATOM 2301 CD2 LEU A 139 21.821 6.478 0.593 1.00 0.00 C ATOM 0 H LEU A 139 20.505 4.238 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 139 19.917 6.854 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.315 5.704 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.271 7.288 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 139 21.947 4.651 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.162 5.113 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.203 4.917 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.300 6.543 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.157 6.036 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.194 7.499 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 139 20.731 6.487 0.566 1.00 0.00 H new ATOM 2313 N LYS A 140 19.701 6.326 -4.401 1.00 0.00 N ATOM 2314 CA LYS A 140 19.260 6.960 -5.635 1.00 0.00 C ATOM 2315 C LYS A 140 17.826 7.441 -5.501 1.00 0.00 C ATOM 2316 O LYS A 140 17.393 8.346 -6.214 1.00 0.00 O ATOM 2317 CB LYS A 140 19.371 6.018 -6.827 1.00 0.00 C ATOM 2318 CG LYS A 140 20.268 6.564 -7.924 1.00 0.00 C ATOM 2319 CD LYS A 140 20.333 5.641 -9.133 1.00 0.00 C ATOM 2320 CE LYS A 140 21.588 4.808 -9.153 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.800 5.603 -8.818 1.00 0.00 N ATOM 0 H LYS A 140 19.761 5.308 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 140 19.917 7.812 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.760 5.057 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.377 5.835 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.902 7.542 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.273 6.711 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.464 4.983 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.281 6.236 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.487 3.987 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.710 4.363 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.622 5.210 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.658 6.592 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.968 5.564 -7.792 1.00 0.00 H new ATOM 2335 N ALA A 141 17.100 6.808 -4.593 1.00 0.00 N ATOM 2336 CA ALA A 141 15.722 7.171 -4.302 1.00 0.00 C ATOM 2337 C ALA A 141 15.595 8.638 -3.910 1.00 0.00 C ATOM 2338 O ALA A 141 16.061 9.003 -2.810 1.00 0.00 O ATOM 2339 CB ALA A 141 15.185 6.286 -3.201 1.00 0.00 C ATOM 2340 OXT ALA A 141 15.025 9.419 -4.697 1.00 0.00 O ATOM 0 H ALA A 141 17.450 6.028 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 141 15.135 7.024 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.152 6.560 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.225 5.244 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.790 6.414 -2.303 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.136 3.157 8.839 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.983 2.277 8.049 1.00 0.00 C ATOM 2387 C ALA B 215 -18.729 0.815 8.413 1.00 0.00 C ATOM 2388 O ALA B 215 -17.681 0.487 8.975 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.744 2.511 6.562 1.00 0.00 C ATOM 0 HA ALA B 215 -20.025 2.505 8.273 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.384 1.846 5.982 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.977 3.547 6.315 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.700 2.308 6.325 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.693 -0.072 8.112 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.592 -1.507 8.411 1.00 0.00 C ATOM 2397 C PRO B 216 -18.324 -2.150 7.851 1.00 0.00 C ATOM 2398 O PRO B 216 -17.685 -1.619 6.940 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.832 -2.115 7.741 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.383 -1.047 6.859 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.969 0.256 7.466 1.00 0.00 C ATOM 0 HA PRO B 216 -19.542 -1.678 9.486 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.569 -3.002 7.164 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.566 -2.425 8.485 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -20.996 -1.143 5.844 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.469 -1.118 6.795 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.851 1.034 6.711 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.704 0.618 8.185 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.962 -3.295 8.411 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.785 -4.028 7.975 1.00 0.00 C ATOM 2411 C ARG B 217 -17.094 -5.508 7.812 1.00 0.00 C ATOM 2412 O ARG B 217 -18.105 -6.003 8.317 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.642 -3.854 8.973 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.098 -2.443 9.058 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.869 -2.394 9.941 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.253 -1.074 9.951 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.939 -0.874 9.878 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.109 -1.903 9.781 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -11.454 0.358 9.912 1.00 0.00 N ATOM 0 H ARG B 217 -18.472 -3.739 9.175 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.483 -3.623 7.009 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -15.989 -4.157 9.961 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.830 -4.528 8.699 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -14.849 -2.084 8.060 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -15.864 -1.776 9.455 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -14.143 -2.673 10.958 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -13.144 -3.129 9.593 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.862 -0.258 10.018 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -11.476 -2.854 9.762 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.103 -1.743 9.725 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.087 1.153 9.994 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -10.447 0.511 9.856 1.00 0.00 H new