USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=28 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= 0.0275 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -156:sc= 0.671 (180deg=-0.256) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= 0.0538 F(o=-0.65,f=0.11) USER MOD Set 2.2: A 74 TYR OH : rot -88:sc= 0.0565 USER MOD Set 3.1: A 32 THR OG1 : rot 87:sc= 0.651 USER MOD Set 3.2: A 33 HIS : no HD1:sc= 1.38 K(o=2,f=-4.3!) USER MOD Set 4.1: A 18 HIS : +bothHN:sc= 0.939 K(o=1.8,f=-13!) USER MOD Set 4.2: A 105 TYR OH : rot -29:sc= 0.634 USER MOD Set 4.3: A 119 HIS : no HD1:sc= 0.192 X(o=1.8,f=1.6) USER MOD Single : A 11 GLN : amide:sc= 0.0982 K(o=0.098,f=-2.3) USER MOD Single : A 13 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.2) USER MOD Single : A 21 GLN : amide:sc= 0.0186 X(o=0.019,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0509) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 36 MET CE :methyl 156:sc= -2.13 (180deg=-5.44!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= 0.0138 F(o=-0.83,f=0.014) USER MOD Single : A 45 SER OG : rot 30:sc= 0.772 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0822 F(o=-1.6!,f=-0.082) USER MOD Single : A 49 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.34) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 59 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-1.9) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 160:sc= -0.0343 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -128:sc= 0.0713 (180deg=0) USER MOD Single : A 79 SER OG : rot 115:sc= 0.902 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -3.28! C(o=-3.3!,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0231) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.238 F(o=-1,f=-0.24) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.27 F(o=-2.4!,f=-0.27) USER MOD Single : A 122 CYS SG : rot 32:sc= 0.0352 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= -0.184 K(o=-0.18,f=-0.74) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 137 LYS NZ :NH3+ 163:sc= -0.0417 (180deg=-0.182) USER MOD Single : A 140 LYS NZ :NH3+ -135:sc= -0.0591 (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.094 2.659 8.414 1.00 0.00 N ATOM 100 CA ALA A 9 21.811 2.129 7.996 1.00 0.00 C ATOM 101 C ALA A 9 21.127 3.107 7.060 1.00 0.00 C ATOM 102 O ALA A 9 21.040 4.297 7.360 1.00 0.00 O ATOM 103 CB ALA A 9 20.931 1.853 9.212 1.00 0.00 C ATOM 0 HA ALA A 9 21.972 1.190 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.971 1.455 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.422 1.126 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.771 2.780 9.763 1.00 0.00 H new ATOM 109 N VAL A 10 20.656 2.615 5.930 1.00 0.00 N ATOM 110 CA VAL A 10 19.929 3.449 4.993 1.00 0.00 C ATOM 111 C VAL A 10 18.442 3.210 5.179 1.00 0.00 C ATOM 112 O VAL A 10 17.977 2.071 5.124 1.00 0.00 O ATOM 113 CB VAL A 10 20.333 3.178 3.527 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.642 4.164 2.601 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.844 3.249 3.347 1.00 0.00 C ATOM 0 H VAL A 10 20.764 1.643 5.639 1.00 0.00 H new ATOM 0 HA VAL A 10 20.178 4.490 5.200 1.00 0.00 H new ATOM 0 HB VAL A 10 20.014 2.168 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.935 3.962 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.561 4.058 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.933 5.180 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.096 3.054 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.197 4.242 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.321 2.502 3.982 1.00 0.00 H new ATOM 125 N GLN A 11 17.708 4.276 5.442 1.00 0.00 N ATOM 126 CA GLN A 11 16.306 4.159 5.798 1.00 0.00 C ATOM 127 C GLN A 11 15.416 4.645 4.671 1.00 0.00 C ATOM 128 O GLN A 11 15.597 5.746 4.148 1.00 0.00 O ATOM 129 CB GLN A 11 16.013 4.947 7.078 1.00 0.00 C ATOM 130 CG GLN A 11 17.181 4.971 8.052 1.00 0.00 C ATOM 131 CD GLN A 11 18.011 6.237 7.936 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.943 6.313 7.134 1.00 0.00 O ATOM 133 NE2 GLN A 11 17.685 7.232 8.742 1.00 0.00 N ATOM 0 H GLN A 11 18.060 5.233 5.416 1.00 0.00 H new ATOM 0 HA GLN A 11 16.090 3.105 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.749 5.971 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.145 4.512 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.802 4.881 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.818 4.105 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.906 7.128 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 11 18.213 8.104 8.714 1.00 0.00 H new ATOM 142 N VAL A 12 14.460 3.815 4.298 1.00 0.00 N ATOM 143 CA VAL A 12 13.521 4.158 3.260 1.00 0.00 C ATOM 144 C VAL A 12 12.123 4.293 3.850 1.00 0.00 C ATOM 145 O VAL A 12 11.763 3.569 4.781 1.00 0.00 O ATOM 146 CB VAL A 12 13.521 3.094 2.147 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.860 3.065 1.418 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.226 1.737 2.729 1.00 0.00 C ATOM 0 H VAL A 12 14.317 2.891 4.706 1.00 0.00 H new ATOM 0 HA VAL A 12 13.823 5.110 2.824 1.00 0.00 H new ATOM 0 HB VAL A 12 12.744 3.355 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.833 2.305 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.051 4.040 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.655 2.830 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.228 0.992 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.988 1.484 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.248 1.752 3.209 1.00 0.00 H new ATOM 158 N LYS A 13 11.352 5.235 3.342 1.00 0.00 N ATOM 159 CA LYS A 13 9.998 5.426 3.812 1.00 0.00 C ATOM 160 C LYS A 13 8.992 5.116 2.721 1.00 0.00 C ATOM 161 O LYS A 13 9.094 5.618 1.600 1.00 0.00 O ATOM 162 CB LYS A 13 9.808 6.851 4.329 1.00 0.00 C ATOM 163 CG LYS A 13 10.292 7.035 5.753 1.00 0.00 C ATOM 164 CD LYS A 13 10.076 8.462 6.234 1.00 0.00 C ATOM 165 CE LYS A 13 10.630 8.679 7.633 1.00 0.00 C ATOM 166 NZ LYS A 13 9.820 7.994 8.675 1.00 0.00 N ATOM 0 H LYS A 13 11.642 5.878 2.605 1.00 0.00 H new ATOM 0 HA LYS A 13 9.825 4.732 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.343 7.542 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.752 7.114 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.764 6.344 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.351 6.786 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.555 9.155 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.010 8.690 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.656 8.314 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.663 9.747 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.384 8.704 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.076 7.428 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.434 7.370 9.237 1.00 0.00 H new ATOM 180 N LEU A 14 8.035 4.270 3.052 1.00 0.00 N ATOM 181 CA LEU A 14 6.950 3.951 2.143 1.00 0.00 C ATOM 182 C LEU A 14 5.646 4.493 2.701 1.00 0.00 C ATOM 183 O LEU A 14 5.414 4.466 3.905 1.00 0.00 O ATOM 184 CB LEU A 14 6.842 2.446 1.919 1.00 0.00 C ATOM 185 CG LEU A 14 8.063 1.783 1.278 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.880 0.283 1.245 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.279 2.299 -0.129 1.00 0.00 C ATOM 0 H LEU A 14 7.987 3.788 3.950 1.00 0.00 H new ATOM 0 HA LEU A 14 7.157 4.417 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.653 1.967 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.973 2.252 1.290 1.00 0.00 H new ATOM 0 HG LEU A 14 8.939 2.029 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.754 -0.180 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.762 -0.092 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.992 0.038 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.152 1.814 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.401 2.079 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.439 3.377 -0.101 1.00 0.00 H new ATOM 199 N GLU A 15 4.807 4.973 1.821 1.00 0.00 N ATOM 200 CA GLU A 15 3.604 5.683 2.204 1.00 0.00 C ATOM 201 C GLU A 15 2.364 4.854 1.886 1.00 0.00 C ATOM 202 O GLU A 15 2.162 4.434 0.747 1.00 0.00 O ATOM 203 CB GLU A 15 3.568 7.030 1.466 1.00 0.00 C ATOM 204 CG GLU A 15 2.414 7.940 1.851 1.00 0.00 C ATOM 205 CD GLU A 15 2.501 9.296 1.172 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.116 9.404 -0.008 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.969 10.260 1.817 1.00 0.00 O ATOM 0 H GLU A 15 4.935 4.885 0.813 1.00 0.00 H new ATOM 0 HA GLU A 15 3.611 5.860 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.504 7.556 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.519 6.839 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.472 7.462 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.407 8.077 2.932 1.00 0.00 H new ATOM 214 N LEU A 16 1.556 4.610 2.910 1.00 0.00 N ATOM 215 CA LEU A 16 0.274 3.943 2.747 1.00 0.00 C ATOM 216 C LEU A 16 -0.793 5.000 2.623 1.00 0.00 C ATOM 217 O LEU A 16 -0.744 6.021 3.306 1.00 0.00 O ATOM 218 CB LEU A 16 -0.098 3.056 3.941 1.00 0.00 C ATOM 219 CG LEU A 16 0.650 1.735 4.115 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.704 0.965 2.818 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.045 1.967 4.649 1.00 0.00 C ATOM 0 H LEU A 16 1.771 4.868 3.873 1.00 0.00 H new ATOM 0 HA LEU A 16 0.349 3.308 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.044 3.642 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.162 2.830 3.870 1.00 0.00 H new ATOM 0 HG LEU A 16 0.099 1.139 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.242 0.030 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.310 0.749 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.219 1.559 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.555 1.010 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.602 2.594 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.986 2.464 5.617 1.00 0.00 H new ATOM 233 N GLY A 17 -1.758 4.756 1.782 1.00 0.00 N ATOM 234 CA GLY A 17 -2.811 5.716 1.595 1.00 0.00 C ATOM 235 C GLY A 17 -4.085 5.081 1.134 1.00 0.00 C ATOM 236 O GLY A 17 -4.090 3.918 0.733 1.00 0.00 O ATOM 0 H GLY A 17 -1.839 3.909 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.989 6.243 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.495 6.461 0.865 1.00 0.00 H new ATOM 240 N HIS A 18 -5.166 5.833 1.219 1.00 0.00 N ATOM 241 CA HIS A 18 -6.435 5.416 0.661 1.00 0.00 C ATOM 242 C HIS A 18 -7.456 6.532 0.807 1.00 0.00 C ATOM 243 O HIS A 18 -7.437 7.292 1.780 1.00 0.00 O ATOM 244 CB HIS A 18 -6.937 4.102 1.313 1.00 0.00 C ATOM 245 CG HIS A 18 -8.079 4.262 2.273 1.00 0.00 C ATOM 246 ND1 HIS A 18 -7.938 4.832 3.518 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.391 3.954 2.148 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.111 4.876 4.114 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.006 4.346 3.306 1.00 0.00 N ATOM 0 H HIS A 18 -5.188 6.745 1.675 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.295 5.210 -0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.241 3.416 0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.104 3.634 1.838 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -7.061 5.168 3.917 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.863 3.487 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.306 5.278 5.097 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.000 4.244 3.511 1.00 0.00 H new ATOM 258 N ARG A 19 -8.322 6.633 -0.175 1.00 0.00 N ATOM 259 CA ARG A 19 -9.429 7.562 -0.132 1.00 0.00 C ATOM 260 C ARG A 19 -10.723 6.784 -0.214 1.00 0.00 C ATOM 261 O ARG A 19 -10.731 5.658 -0.701 1.00 0.00 O ATOM 262 CB ARG A 19 -9.355 8.545 -1.296 1.00 0.00 C ATOM 263 CG ARG A 19 -8.099 9.391 -1.313 1.00 0.00 C ATOM 264 CD ARG A 19 -8.082 10.289 -2.532 1.00 0.00 C ATOM 265 NE ARG A 19 -9.188 11.245 -2.521 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.475 12.069 -3.525 1.00 0.00 C ATOM 267 NH1 ARG A 19 -8.700 12.112 -4.602 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.529 12.866 -3.431 1.00 0.00 N ATOM 0 H ARG A 19 -8.279 6.073 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.383 8.126 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.418 7.989 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.223 9.203 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.048 9.996 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.220 8.747 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.136 10.829 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.139 9.679 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.778 11.283 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.878 11.511 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.926 12.746 -5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.112 12.844 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.758 13.502 -4.195 1.00 0.00 H new ATOM 282 N ALA A 20 -11.799 7.363 0.279 1.00 0.00 N ATOM 283 CA ALA A 20 -13.105 6.747 0.155 1.00 0.00 C ATOM 284 C ALA A 20 -14.180 7.798 -0.060 1.00 0.00 C ATOM 285 O ALA A 20 -14.173 8.862 0.580 1.00 0.00 O ATOM 286 CB ALA A 20 -13.433 5.902 1.373 1.00 0.00 C ATOM 0 H ALA A 20 -11.795 8.258 0.769 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.078 6.093 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.419 5.453 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.687 5.115 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.429 6.530 2.264 1.00 0.00 H new ATOM 292 N GLN A 21 -15.088 7.479 -0.971 1.00 0.00 N ATOM 293 CA GLN A 21 -16.235 8.314 -1.267 1.00 0.00 C ATOM 294 C GLN A 21 -17.416 7.421 -1.605 1.00 0.00 C ATOM 295 O GLN A 21 -17.238 6.332 -2.159 1.00 0.00 O ATOM 296 CB GLN A 21 -15.918 9.297 -2.412 1.00 0.00 C ATOM 297 CG GLN A 21 -15.772 8.700 -3.812 1.00 0.00 C ATOM 298 CD GLN A 21 -17.060 8.710 -4.624 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.379 9.696 -5.288 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.781 7.601 -4.620 1.00 0.00 N ATOM 0 H GLN A 21 -15.046 6.626 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.486 8.918 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.707 10.048 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.992 9.818 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.007 9.255 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.418 7.673 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.486 6.803 -4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.632 7.544 -5.180 1.00 0.00 H new ATOM 309 N VAL A 22 -18.611 7.841 -1.238 1.00 0.00 N ATOM 310 CA VAL A 22 -19.787 7.043 -1.519 1.00 0.00 C ATOM 311 C VAL A 22 -20.563 7.627 -2.689 1.00 0.00 C ATOM 312 O VAL A 22 -20.683 8.846 -2.832 1.00 0.00 O ATOM 313 CB VAL A 22 -20.709 6.891 -0.284 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.516 8.152 -0.016 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.624 5.693 -0.454 1.00 0.00 C ATOM 0 H VAL A 22 -18.792 8.719 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.437 6.045 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.071 6.728 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.148 8.000 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.838 8.986 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -22.141 8.375 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.266 5.599 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.240 5.829 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.024 4.790 -0.563 1.00 0.00 H new ATOM 325 N ARG A 23 -21.054 6.751 -3.537 1.00 0.00 N ATOM 326 CA ARG A 23 -21.917 7.149 -4.637 1.00 0.00 C ATOM 327 C ARG A 23 -23.364 6.978 -4.214 1.00 0.00 C ATOM 328 O ARG A 23 -23.711 6.000 -3.550 1.00 0.00 O ATOM 329 CB ARG A 23 -21.615 6.313 -5.886 1.00 0.00 C ATOM 330 CG ARG A 23 -20.986 4.971 -5.564 1.00 0.00 C ATOM 331 CD ARG A 23 -21.420 3.880 -6.525 1.00 0.00 C ATOM 332 NE ARG A 23 -21.053 4.178 -7.904 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.263 3.405 -8.650 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.697 2.322 -8.128 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.017 3.733 -9.911 1.00 0.00 N ATOM 0 H ARG A 23 -20.871 5.749 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.734 8.195 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.540 6.151 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.946 6.874 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.901 5.066 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.253 4.683 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.966 2.935 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.500 3.750 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.423 5.030 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.866 2.078 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.094 1.734 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.432 4.576 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.413 3.143 -10.483 1.00 0.00 H new ATOM 349 N LYS A 24 -24.198 7.937 -4.590 1.00 0.00 N ATOM 350 CA LYS A 24 -25.594 7.960 -4.167 1.00 0.00 C ATOM 351 C LYS A 24 -26.368 6.827 -4.829 1.00 0.00 C ATOM 352 O LYS A 24 -27.493 6.506 -4.441 1.00 0.00 O ATOM 353 CB LYS A 24 -26.227 9.310 -4.528 1.00 0.00 C ATOM 354 CG LYS A 24 -27.581 9.569 -3.883 1.00 0.00 C ATOM 355 CD LYS A 24 -27.442 10.336 -2.576 1.00 0.00 C ATOM 356 CE LYS A 24 -28.787 10.543 -1.902 1.00 0.00 C ATOM 357 NZ LYS A 24 -28.659 11.355 -0.663 1.00 0.00 N ATOM 0 H LYS A 24 -23.931 8.716 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.635 7.824 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.542 10.107 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.339 9.366 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.210 10.133 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.083 8.620 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.778 9.793 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.979 11.304 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -29.469 11.038 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.226 9.575 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -29.596 11.476 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -28.028 10.870 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -28.263 12.287 -0.898 1.00 0.00 H new ATOM 371 N LYS A 25 -25.755 6.224 -5.832 1.00 0.00 N ATOM 372 CA LYS A 25 -26.358 5.117 -6.542 1.00 0.00 C ATOM 373 C LYS A 25 -25.352 3.976 -6.647 1.00 0.00 C ATOM 374 O LYS A 25 -24.394 4.048 -7.422 1.00 0.00 O ATOM 375 CB LYS A 25 -26.835 5.580 -7.929 1.00 0.00 C ATOM 376 CG LYS A 25 -27.592 4.527 -8.727 1.00 0.00 C ATOM 377 CD LYS A 25 -26.676 3.716 -9.623 1.00 0.00 C ATOM 378 CE LYS A 25 -27.444 2.625 -10.340 1.00 0.00 C ATOM 379 NZ LYS A 25 -28.390 3.177 -11.343 1.00 0.00 N ATOM 0 H LYS A 25 -24.831 6.488 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.230 4.756 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.476 6.452 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -25.969 5.901 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -28.111 3.858 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.354 5.014 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.202 4.372 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.878 3.273 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -26.743 1.953 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -27.995 2.030 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -28.795 2.400 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -29.154 3.687 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -27.885 3.832 -11.974 1.00 0.00 H new ATOM 393 N PRO A 26 -25.535 2.925 -5.830 1.00 0.00 N ATOM 394 CA PRO A 26 -24.681 1.737 -5.864 1.00 0.00 C ATOM 395 C PRO A 26 -24.658 1.100 -7.245 1.00 0.00 C ATOM 396 O PRO A 26 -25.600 1.247 -8.023 1.00 0.00 O ATOM 397 CB PRO A 26 -25.325 0.791 -4.847 1.00 0.00 C ATOM 398 CG PRO A 26 -26.120 1.669 -3.949 1.00 0.00 C ATOM 399 CD PRO A 26 -26.584 2.821 -4.797 1.00 0.00 C ATOM 0 HA PRO A 26 -23.642 1.973 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -25.959 0.055 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.569 0.238 -4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -26.968 1.129 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.516 2.019 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.563 2.629 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.669 3.739 -4.216 1.00 0.00 H new ATOM 407 N THR A 27 -23.582 0.387 -7.539 1.00 0.00 N ATOM 408 CA THR A 27 -23.411 -0.237 -8.845 1.00 0.00 C ATOM 409 C THR A 27 -24.402 -1.389 -9.022 1.00 0.00 C ATOM 410 O THR A 27 -25.219 -1.643 -8.140 1.00 0.00 O ATOM 411 CB THR A 27 -21.955 -0.738 -9.039 1.00 0.00 C ATOM 412 OG1 THR A 27 -21.793 -1.393 -10.304 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.553 -1.690 -7.929 1.00 0.00 C ATOM 0 H THR A 27 -22.812 0.225 -6.890 1.00 0.00 H new ATOM 0 HA THR A 27 -23.612 0.516 -9.607 1.00 0.00 H new ATOM 0 HB THR A 27 -21.310 0.140 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.866 -1.696 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.528 -2.025 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.620 -1.179 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.221 -2.551 -7.929 1.00 0.00 H new ATOM 421 N VAL A 28 -24.321 -2.072 -10.153 1.00 0.00 N ATOM 422 CA VAL A 28 -25.213 -3.183 -10.476 1.00 0.00 C ATOM 423 C VAL A 28 -25.358 -4.176 -9.315 1.00 0.00 C ATOM 424 O VAL A 28 -26.447 -4.685 -9.054 1.00 0.00 O ATOM 425 CB VAL A 28 -24.713 -3.911 -11.738 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.239 -4.272 -11.607 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.555 -5.147 -12.027 1.00 0.00 C ATOM 0 H VAL A 28 -23.632 -1.873 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.201 -2.761 -10.662 1.00 0.00 H new ATOM 0 HB VAL A 28 -24.820 -3.231 -12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -22.908 -4.785 -12.510 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -22.653 -3.363 -11.471 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.100 -4.926 -10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.180 -5.641 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.496 -5.833 -11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.593 -4.852 -12.183 1.00 0.00 H new ATOM 437 N GLU A 29 -24.268 -4.427 -8.599 1.00 0.00 N ATOM 438 CA GLU A 29 -24.286 -5.402 -7.514 1.00 0.00 C ATOM 439 C GLU A 29 -24.405 -4.735 -6.145 1.00 0.00 C ATOM 440 O GLU A 29 -24.240 -5.384 -5.112 1.00 0.00 O ATOM 441 CB GLU A 29 -23.047 -6.285 -7.580 1.00 0.00 C ATOM 442 CG GLU A 29 -22.973 -7.103 -8.860 1.00 0.00 C ATOM 443 CD GLU A 29 -21.854 -8.115 -8.841 1.00 0.00 C ATOM 444 OE1 GLU A 29 -22.072 -9.237 -8.339 1.00 0.00 O ATOM 445 OE2 GLU A 29 -20.754 -7.797 -9.328 1.00 0.00 O ATOM 0 H GLU A 29 -23.367 -3.973 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 29 -25.172 -6.024 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -22.157 -5.661 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -23.041 -6.959 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.921 -7.619 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.836 -6.432 -9.708 1.00 0.00 H new ATOM 452 N GLY A 30 -24.673 -3.437 -6.143 1.00 0.00 N ATOM 453 CA GLY A 30 -25.012 -2.750 -4.911 1.00 0.00 C ATOM 454 C GLY A 30 -23.809 -2.335 -4.093 1.00 0.00 C ATOM 455 O GLY A 30 -23.873 -2.287 -2.866 1.00 0.00 O ATOM 0 H GLY A 30 -24.662 -2.845 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.600 -1.864 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.645 -3.399 -4.306 1.00 0.00 H new ATOM 459 N PHE A 31 -22.711 -2.033 -4.760 1.00 0.00 N ATOM 460 CA PHE A 31 -21.531 -1.533 -4.078 1.00 0.00 C ATOM 461 C PHE A 31 -21.648 -0.015 -3.946 1.00 0.00 C ATOM 462 O PHE A 31 -21.833 0.689 -4.944 1.00 0.00 O ATOM 463 CB PHE A 31 -20.253 -1.926 -4.831 1.00 0.00 C ATOM 464 CG PHE A 31 -20.153 -3.399 -5.169 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.787 -4.363 -4.395 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.421 -3.818 -6.268 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.689 -5.704 -4.715 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.319 -5.155 -6.589 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.954 -6.098 -5.813 1.00 0.00 C ATOM 0 H PHE A 31 -22.611 -2.125 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.467 -1.979 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.198 -1.349 -5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.390 -1.645 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.363 -4.061 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.922 -3.085 -6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -21.188 -6.443 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.741 -5.462 -7.448 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.877 -7.146 -6.064 1.00 0.00 H new ATOM 479 N THR A 32 -21.567 0.471 -2.717 1.00 0.00 N ATOM 480 CA THR A 32 -21.856 1.868 -2.408 1.00 0.00 C ATOM 481 C THR A 32 -20.586 2.717 -2.284 1.00 0.00 C ATOM 482 O THR A 32 -20.562 3.880 -2.686 1.00 0.00 O ATOM 483 CB THR A 32 -22.651 1.976 -1.091 1.00 0.00 C ATOM 484 OG1 THR A 32 -21.905 1.400 -0.008 1.00 0.00 O ATOM 485 CG2 THR A 32 -23.982 1.280 -1.211 1.00 0.00 C ATOM 0 H THR A 32 -21.300 -0.087 -1.906 1.00 0.00 H new ATOM 0 HA THR A 32 -22.445 2.252 -3.241 1.00 0.00 H new ATOM 0 HB THR A 32 -22.823 3.033 -0.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.310 2.077 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.525 1.369 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.563 1.740 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.822 0.226 -1.439 1.00 0.00 H new ATOM 493 N HIS A 33 -19.537 2.130 -1.733 1.00 0.00 N ATOM 494 CA HIS A 33 -18.340 2.872 -1.367 1.00 0.00 C ATOM 495 C HIS A 33 -17.186 2.573 -2.314 1.00 0.00 C ATOM 496 O HIS A 33 -16.759 1.429 -2.441 1.00 0.00 O ATOM 497 CB HIS A 33 -17.932 2.526 0.071 1.00 0.00 C ATOM 498 CG HIS A 33 -18.678 3.281 1.132 1.00 0.00 C ATOM 499 ND1 HIS A 33 -19.850 2.836 1.707 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.375 4.442 1.758 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.228 3.691 2.644 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.350 4.674 2.695 1.00 0.00 N ATOM 0 H HIS A 33 -19.490 1.132 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.570 3.935 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.082 1.458 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.866 2.719 0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.521 5.072 1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.108 3.599 3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.389 5.474 3.326 1.00 0.00 H new ATOM 511 N ASP A 34 -16.685 3.611 -2.965 1.00 0.00 N ATOM 512 CA ASP A 34 -15.525 3.491 -3.839 1.00 0.00 C ATOM 513 C ASP A 34 -14.295 3.955 -3.088 1.00 0.00 C ATOM 514 O ASP A 34 -14.319 5.006 -2.438 1.00 0.00 O ATOM 515 CB ASP A 34 -15.688 4.346 -5.102 1.00 0.00 C ATOM 516 CG ASP A 34 -16.884 3.957 -5.943 1.00 0.00 C ATOM 517 OD1 ASP A 34 -16.778 2.985 -6.723 1.00 0.00 O ATOM 518 OD2 ASP A 34 -17.928 4.632 -5.845 1.00 0.00 O ATOM 0 H ASP A 34 -17.067 4.555 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.426 2.448 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.782 5.393 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.785 4.262 -5.707 1.00 0.00 H new ATOM 523 N TRP A 35 -13.226 3.186 -3.159 1.00 0.00 N ATOM 524 CA TRP A 35 -12.001 3.567 -2.486 1.00 0.00 C ATOM 525 C TRP A 35 -10.774 3.300 -3.344 1.00 0.00 C ATOM 526 O TRP A 35 -10.801 2.482 -4.268 1.00 0.00 O ATOM 527 CB TRP A 35 -11.870 2.879 -1.119 1.00 0.00 C ATOM 528 CG TRP A 35 -11.948 1.376 -1.133 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.024 0.600 -0.793 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.889 0.466 -1.465 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.694 -0.734 -0.897 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.389 -0.841 -1.308 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.565 0.633 -1.883 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.606 -1.971 -1.548 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.792 -0.489 -2.118 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.313 -1.773 -1.950 1.00 0.00 C ATOM 0 H TRP A 35 -13.181 2.304 -3.670 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.057 4.642 -2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.918 3.171 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.655 3.259 -0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -13.989 0.978 -0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.319 -1.516 -0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.153 1.622 -2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.006 -2.966 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.767 -0.370 -2.437 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.682 -2.628 -2.141 1.00 0.00 H new ATOM 547 N MET A 36 -9.704 4.006 -3.020 1.00 0.00 N ATOM 548 CA MET A 36 -8.439 3.888 -3.729 1.00 0.00 C ATOM 549 C MET A 36 -7.285 3.874 -2.741 1.00 0.00 C ATOM 550 O MET A 36 -7.197 4.750 -1.891 1.00 0.00 O ATOM 551 CB MET A 36 -8.263 5.059 -4.693 1.00 0.00 C ATOM 552 CG MET A 36 -6.857 5.173 -5.258 1.00 0.00 C ATOM 553 SD MET A 36 -6.585 6.736 -6.088 1.00 0.00 S ATOM 554 CE MET A 36 -6.813 7.805 -4.680 1.00 0.00 C ATOM 0 H MET A 36 -9.687 4.680 -2.255 1.00 0.00 H new ATOM 0 HA MET A 36 -8.445 2.955 -4.292 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.969 4.951 -5.516 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.515 5.985 -4.177 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.133 5.062 -4.451 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.682 4.356 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.291 8.747 -4.850 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.876 8.000 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.412 7.323 -3.788 1.00 0.00 H new ATOM 564 N VAL A 37 -6.405 2.891 -2.860 1.00 0.00 N ATOM 565 CA VAL A 37 -5.266 2.761 -1.957 1.00 0.00 C ATOM 566 C VAL A 37 -3.974 3.260 -2.581 1.00 0.00 C ATOM 567 O VAL A 37 -3.809 3.232 -3.797 1.00 0.00 O ATOM 568 CB VAL A 37 -5.053 1.310 -1.505 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.780 1.046 -0.218 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.520 0.346 -2.575 1.00 0.00 C ATOM 0 H VAL A 37 -6.457 2.167 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.511 3.381 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.986 1.158 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.617 0.012 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.405 1.716 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.847 1.218 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.361 -0.678 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.581 0.504 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.955 0.517 -3.491 1.00 0.00 H new ATOM 580 N PHE A 38 -3.069 3.680 -1.708 1.00 0.00 N ATOM 581 CA PHE A 38 -1.778 4.248 -2.079 1.00 0.00 C ATOM 582 C PHE A 38 -0.632 3.459 -1.459 1.00 0.00 C ATOM 583 O PHE A 38 -0.654 3.173 -0.262 1.00 0.00 O ATOM 584 CB PHE A 38 -1.674 5.684 -1.551 1.00 0.00 C ATOM 585 CG PHE A 38 -2.102 6.768 -2.491 1.00 0.00 C ATOM 586 CD1 PHE A 38 -3.416 7.214 -2.536 1.00 0.00 C ATOM 587 CD2 PHE A 38 -1.165 7.367 -3.306 1.00 0.00 C ATOM 588 CE1 PHE A 38 -3.779 8.235 -3.392 1.00 0.00 C ATOM 589 CE2 PHE A 38 -1.518 8.391 -4.159 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.833 8.826 -4.205 1.00 0.00 C ATOM 0 H PHE A 38 -3.214 3.635 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.708 4.217 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.275 5.760 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.639 5.869 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.159 6.760 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.140 7.029 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.805 8.572 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.772 8.853 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.117 9.625 -4.875 1.00 0.00 H new ATOM 600 N VAL A 39 0.345 3.096 -2.280 1.00 0.00 N ATOM 601 CA VAL A 39 1.641 2.652 -1.790 1.00 0.00 C ATOM 602 C VAL A 39 2.754 3.239 -2.655 1.00 0.00 C ATOM 603 O VAL A 39 2.886 2.916 -3.832 1.00 0.00 O ATOM 604 CB VAL A 39 1.756 1.115 -1.718 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.954 0.595 -0.547 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.284 0.458 -2.999 1.00 0.00 C ATOM 0 H VAL A 39 0.262 3.101 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 39 1.745 3.018 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 39 2.808 0.864 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.039 -0.491 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.337 1.028 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.093 0.872 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.380 -0.624 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.240 0.716 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.892 0.809 -3.833 1.00 0.00 H new ATOM 616 N ARG A 40 3.528 4.133 -2.069 1.00 0.00 N ATOM 617 CA ARG A 40 4.561 4.866 -2.796 1.00 0.00 C ATOM 618 C ARG A 40 5.519 5.497 -1.807 1.00 0.00 C ATOM 619 O ARG A 40 5.450 5.218 -0.622 1.00 0.00 O ATOM 620 CB ARG A 40 3.951 5.974 -3.660 1.00 0.00 C ATOM 621 CG ARG A 40 3.265 7.051 -2.828 1.00 0.00 C ATOM 622 CD ARG A 40 3.313 8.419 -3.491 1.00 0.00 C ATOM 623 NE ARG A 40 2.938 9.469 -2.549 1.00 0.00 N ATOM 624 CZ ARG A 40 3.146 10.764 -2.749 1.00 0.00 C ATOM 625 NH1 ARG A 40 3.683 11.194 -3.884 1.00 0.00 N ATOM 626 NH2 ARG A 40 2.803 11.629 -1.806 1.00 0.00 N ATOM 0 H ARG A 40 3.463 4.375 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 40 5.083 4.162 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.734 6.431 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.229 5.537 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.226 6.769 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.742 7.108 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.317 8.608 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.639 8.436 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 40 2.486 9.188 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.940 10.527 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.839 12.192 -4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.384 11.297 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.958 12.627 -1.949 1.00 0.00 H new ATOM 640 N GLY A 41 6.432 6.317 -2.295 1.00 0.00 N ATOM 641 CA GLY A 41 7.314 7.035 -1.403 1.00 0.00 C ATOM 642 C GLY A 41 6.888 8.476 -1.214 1.00 0.00 C ATOM 643 O GLY A 41 6.172 9.025 -2.053 1.00 0.00 O ATOM 0 H GLY A 41 6.579 6.498 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.335 6.534 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.329 7.007 -1.799 1.00 0.00 H new ATOM 647 N PRO A 42 7.314 9.104 -0.106 1.00 0.00 N ATOM 648 CA PRO A 42 6.978 10.499 0.220 1.00 0.00 C ATOM 649 C PRO A 42 7.400 11.488 -0.852 1.00 0.00 C ATOM 650 O PRO A 42 8.050 11.126 -1.834 1.00 0.00 O ATOM 651 CB PRO A 42 7.758 10.773 1.510 1.00 0.00 C ATOM 652 CG PRO A 42 8.032 9.433 2.091 1.00 0.00 C ATOM 653 CD PRO A 42 8.157 8.489 0.932 1.00 0.00 C ATOM 0 HA PRO A 42 5.899 10.624 0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.684 11.310 1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.179 11.389 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.947 9.446 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.226 9.126 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.192 8.392 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.810 7.489 1.190 1.00 0.00 H new ATOM 661 N GLU A 43 7.019 12.739 -0.646 1.00 0.00 N ATOM 662 CA GLU A 43 7.357 13.816 -1.559 1.00 0.00 C ATOM 663 C GLU A 43 8.831 13.780 -1.941 1.00 0.00 C ATOM 664 O GLU A 43 9.703 13.759 -1.074 1.00 0.00 O ATOM 665 CB GLU A 43 7.029 15.163 -0.926 1.00 0.00 C ATOM 666 CG GLU A 43 5.550 15.355 -0.624 1.00 0.00 C ATOM 667 CD GLU A 43 4.652 15.013 -1.796 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.755 15.675 -2.853 1.00 0.00 O ATOM 669 OE2 GLU A 43 3.824 14.088 -1.661 1.00 0.00 O ATOM 0 H GLU A 43 6.467 13.035 0.159 1.00 0.00 H new ATOM 0 HA GLU A 43 6.764 13.681 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.596 15.267 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.360 15.958 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.276 14.734 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.377 16.391 -0.332 1.00 0.00 H new ATOM 676 N HIS A 44 9.070 13.703 -3.246 1.00 0.00 N ATOM 677 CA HIS A 44 10.410 13.790 -3.854 1.00 0.00 C ATOM 678 C HIS A 44 11.208 12.485 -3.695 1.00 0.00 C ATOM 679 O HIS A 44 12.133 12.225 -4.465 1.00 0.00 O ATOM 680 CB HIS A 44 11.193 15.028 -3.318 1.00 0.00 C ATOM 681 CG HIS A 44 12.372 14.714 -2.440 1.00 0.00 C ATOM 682 ND1 HIS A 44 12.451 14.528 -1.105 1.00 0.00 N flip ATOM 683 CD2 HIS A 44 13.652 14.566 -2.920 1.00 0.00 C flip ATOM 684 CE1 HIS A 44 13.763 14.269 -0.802 1.00 0.00 C flip ATOM 685 NE2 HIS A 44 14.465 14.300 -1.917 1.00 0.00 N flip ATOM 0 H HIS A 44 8.327 13.576 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 44 10.271 13.932 -4.926 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.541 15.613 -4.169 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.503 15.659 -2.758 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.676 14.572 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.945 14.654 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.155 14.073 0.185 1.00 0.00 H new ATOM 694 N SER A 45 10.852 11.670 -2.713 1.00 0.00 N ATOM 695 CA SER A 45 11.475 10.363 -2.547 1.00 0.00 C ATOM 696 C SER A 45 10.779 9.343 -3.442 1.00 0.00 C ATOM 697 O SER A 45 9.596 9.053 -3.259 1.00 0.00 O ATOM 698 CB SER A 45 11.410 9.922 -1.080 1.00 0.00 C ATOM 699 OG SER A 45 10.163 10.250 -0.511 1.00 0.00 O ATOM 0 H SER A 45 10.137 11.889 -2.020 1.00 0.00 H new ATOM 0 HA SER A 45 12.524 10.431 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.574 8.847 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.209 10.403 -0.516 1.00 0.00 H new ATOM 0 HG SER A 45 9.473 10.239 -1.207 1.00 0.00 H new ATOM 705 N ASN A 46 11.497 8.823 -4.424 1.00 0.00 N ATOM 706 CA ASN A 46 10.918 7.855 -5.345 1.00 0.00 C ATOM 707 C ASN A 46 11.238 6.443 -4.904 1.00 0.00 C ATOM 708 O ASN A 46 12.399 6.092 -4.698 1.00 0.00 O ATOM 709 CB ASN A 46 11.432 8.082 -6.766 1.00 0.00 C ATOM 710 CG ASN A 46 10.826 9.308 -7.422 1.00 0.00 C ATOM 711 OD1 ASN A 46 9.579 9.607 -7.093 1.00 0.00 O flip ATOM 712 ND2 ASN A 46 11.471 9.972 -8.229 1.00 0.00 N flip ATOM 0 H ASN A 46 12.475 9.052 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 46 9.837 7.992 -5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.517 8.187 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.210 7.204 -7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.430 9.708 -8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.048 10.787 -8.673 1.00 0.00 H new ATOM 719 N ILE A 47 10.209 5.619 -4.792 1.00 0.00 N ATOM 720 CA ILE A 47 10.399 4.258 -4.324 1.00 0.00 C ATOM 721 C ILE A 47 10.720 3.318 -5.454 1.00 0.00 C ATOM 722 O ILE A 47 11.381 2.326 -5.243 1.00 0.00 O ATOM 723 CB ILE A 47 9.230 3.689 -3.505 1.00 0.00 C ATOM 724 CG1 ILE A 47 7.938 3.509 -4.304 1.00 0.00 C ATOM 725 CG2 ILE A 47 8.989 4.577 -2.320 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.204 2.265 -3.933 1.00 0.00 C ATOM 0 H ILE A 47 9.245 5.865 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 47 11.250 4.330 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 47 9.520 2.687 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.291 4.371 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.173 3.484 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.161 4.182 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.887 4.613 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.744 5.582 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.295 2.187 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.838 1.399 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.942 2.299 -2.876 1.00 0.00 H new ATOM 738 N GLN A 48 10.300 3.664 -6.660 1.00 0.00 N ATOM 739 CA GLN A 48 10.530 2.815 -7.830 1.00 0.00 C ATOM 740 C GLN A 48 12.032 2.590 -8.079 1.00 0.00 C ATOM 741 O GLN A 48 12.427 1.785 -8.922 1.00 0.00 O ATOM 742 CB GLN A 48 9.857 3.449 -9.048 1.00 0.00 C ATOM 743 CG GLN A 48 9.773 2.536 -10.261 1.00 0.00 C ATOM 744 CD GLN A 48 8.662 2.937 -11.207 1.00 0.00 C ATOM 745 OE1 GLN A 48 7.453 2.441 -10.970 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 8.880 3.713 -12.139 1.00 0.00 N flip ATOM 0 H GLN A 48 9.796 4.528 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 48 10.092 1.834 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.850 3.760 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.405 4.350 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.724 2.554 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.612 1.510 -9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.821 4.075 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.119 3.994 -12.758 1.00 0.00 H new ATOM 755 N HIS A 49 12.859 3.306 -7.327 1.00 0.00 N ATOM 756 CA HIS A 49 14.303 3.107 -7.359 1.00 0.00 C ATOM 757 C HIS A 49 14.713 1.886 -6.530 1.00 0.00 C ATOM 758 O HIS A 49 15.606 1.138 -6.926 1.00 0.00 O ATOM 759 CB HIS A 49 15.038 4.353 -6.852 1.00 0.00 C ATOM 760 CG HIS A 49 15.260 5.399 -7.902 1.00 0.00 C ATOM 761 ND1 HIS A 49 15.676 5.113 -9.184 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.118 6.742 -7.851 1.00 0.00 C ATOM 763 CE1 HIS A 49 15.778 6.233 -9.873 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.442 7.236 -9.088 1.00 0.00 N ATOM 0 H HIS A 49 12.551 4.035 -6.683 1.00 0.00 H new ATOM 0 HA HIS A 49 14.585 2.930 -8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.468 4.791 -6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.003 4.052 -6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.807 7.320 -6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.085 6.314 -10.905 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.426 8.220 -9.357 1.00 0.00 H new ATOM 773 N PHE A 50 14.060 1.680 -5.385 1.00 0.00 N ATOM 774 CA PHE A 50 14.394 0.554 -4.511 1.00 0.00 C ATOM 775 C PHE A 50 13.224 -0.422 -4.389 1.00 0.00 C ATOM 776 O PHE A 50 13.320 -1.454 -3.725 1.00 0.00 O ATOM 777 CB PHE A 50 14.851 1.044 -3.127 1.00 0.00 C ATOM 778 CG PHE A 50 13.871 1.919 -2.398 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.860 1.374 -1.621 1.00 0.00 C ATOM 780 CD2 PHE A 50 13.978 3.293 -2.472 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.979 2.188 -0.942 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.094 4.110 -1.794 1.00 0.00 C ATOM 783 CZ PHE A 50 12.093 3.556 -1.030 1.00 0.00 C ATOM 0 H PHE A 50 13.303 2.272 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 50 15.225 0.018 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.068 0.175 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.785 1.593 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.762 0.301 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.763 3.735 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.197 1.751 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.189 5.184 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.399 4.193 -0.501 1.00 0.00 H new ATOM 793 N VAL A 51 12.139 -0.087 -5.062 1.00 0.00 N ATOM 794 CA VAL A 51 10.911 -0.860 -5.042 1.00 0.00 C ATOM 795 C VAL A 51 10.584 -1.321 -6.457 1.00 0.00 C ATOM 796 O VAL A 51 10.699 -0.556 -7.415 1.00 0.00 O ATOM 797 CB VAL A 51 9.760 -0.012 -4.458 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.411 -0.676 -4.622 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.008 0.265 -2.988 1.00 0.00 C ATOM 0 H VAL A 51 12.085 0.746 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 51 11.039 -1.737 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 51 9.740 0.923 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.637 -0.038 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.209 -0.832 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.414 -1.637 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.190 0.864 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.067 -0.678 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.946 0.809 -2.873 1.00 0.00 H new ATOM 809 N GLU A 52 10.201 -2.580 -6.578 1.00 0.00 N ATOM 810 CA GLU A 52 10.062 -3.225 -7.875 1.00 0.00 C ATOM 811 C GLU A 52 8.606 -3.245 -8.317 1.00 0.00 C ATOM 812 O GLU A 52 8.213 -2.544 -9.248 1.00 0.00 O ATOM 813 CB GLU A 52 10.611 -4.651 -7.786 1.00 0.00 C ATOM 814 CG GLU A 52 10.644 -5.398 -9.107 1.00 0.00 C ATOM 815 CD GLU A 52 11.238 -6.784 -8.961 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.479 -6.896 -8.873 1.00 0.00 O ATOM 817 OE2 GLU A 52 10.470 -7.768 -8.937 1.00 0.00 O ATOM 0 H GLU A 52 9.978 -3.183 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 52 10.628 -2.661 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.622 -4.613 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.004 -5.217 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.632 -5.477 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.227 -4.828 -9.831 1.00 0.00 H new ATOM 824 N LYS A 53 7.815 -4.046 -7.635 1.00 0.00 N ATOM 825 CA LYS A 53 6.408 -4.192 -7.947 1.00 0.00 C ATOM 826 C LYS A 53 5.600 -4.076 -6.668 1.00 0.00 C ATOM 827 O LYS A 53 6.161 -3.925 -5.590 1.00 0.00 O ATOM 828 CB LYS A 53 6.159 -5.546 -8.617 1.00 0.00 C ATOM 829 CG LYS A 53 6.675 -6.728 -7.809 1.00 0.00 C ATOM 830 CD LYS A 53 6.388 -8.059 -8.480 1.00 0.00 C ATOM 831 CE LYS A 53 4.903 -8.330 -8.597 1.00 0.00 C ATOM 832 NZ LYS A 53 4.631 -9.535 -9.420 1.00 0.00 N ATOM 0 H LYS A 53 8.129 -4.615 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 53 6.101 -3.406 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.089 -5.669 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.636 -5.550 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.750 -6.623 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.216 -6.716 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.837 -8.068 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.858 -8.860 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.478 -8.464 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.409 -7.466 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.604 -9.691 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.016 -9.396 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.082 -10.363 -8.982 1.00 0.00 H new ATOM 846 N VAL A 54 4.294 -4.142 -6.785 1.00 0.00 N ATOM 847 CA VAL A 54 3.422 -3.976 -5.640 1.00 0.00 C ATOM 848 C VAL A 54 2.214 -4.890 -5.753 1.00 0.00 C ATOM 849 O VAL A 54 1.813 -5.258 -6.858 1.00 0.00 O ATOM 850 CB VAL A 54 3.003 -2.499 -5.508 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.677 -2.327 -4.791 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.092 -1.750 -4.769 1.00 0.00 C ATOM 0 H VAL A 54 3.808 -4.310 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 54 3.962 -4.257 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 54 2.869 -2.097 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.433 -1.267 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.894 -2.847 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.750 -2.744 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.809 -0.702 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.227 -2.186 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.026 -1.821 -5.327 1.00 0.00 H new ATOM 862 N VAL A 55 1.657 -5.276 -4.616 1.00 0.00 N ATOM 863 CA VAL A 55 0.519 -6.172 -4.596 1.00 0.00 C ATOM 864 C VAL A 55 -0.436 -5.793 -3.469 1.00 0.00 C ATOM 865 O VAL A 55 -0.019 -5.335 -2.403 1.00 0.00 O ATOM 866 CB VAL A 55 0.968 -7.652 -4.470 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.412 -8.313 -3.220 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.561 -8.438 -5.706 1.00 0.00 C ATOM 0 H VAL A 55 1.978 -4.980 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.009 -6.070 -5.544 1.00 0.00 H new ATOM 0 HB VAL A 55 2.055 -7.654 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.752 -9.348 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.762 -7.776 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.677 -8.290 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.884 -9.474 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.523 -8.405 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.030 -7.999 -6.587 1.00 0.00 H new ATOM 878 N PHE A 56 -1.716 -5.973 -3.727 1.00 0.00 N ATOM 879 CA PHE A 56 -2.751 -5.690 -2.756 1.00 0.00 C ATOM 880 C PHE A 56 -3.606 -6.922 -2.552 1.00 0.00 C ATOM 881 O PHE A 56 -4.148 -7.460 -3.508 1.00 0.00 O ATOM 882 CB PHE A 56 -3.638 -4.529 -3.224 1.00 0.00 C ATOM 883 CG PHE A 56 -3.025 -3.173 -3.032 1.00 0.00 C ATOM 884 CD1 PHE A 56 -2.055 -2.704 -3.903 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.432 -2.363 -1.987 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.503 -1.452 -3.735 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.879 -1.109 -1.815 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.914 -0.653 -2.691 1.00 0.00 C ATOM 0 H PHE A 56 -2.067 -6.321 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.274 -5.408 -1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.869 -4.665 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.584 -4.568 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.728 -3.326 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.188 -2.714 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.749 -1.098 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.202 -0.485 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.482 0.328 -2.558 1.00 0.00 H new ATOM 898 N HIS A 57 -3.705 -7.388 -1.321 1.00 0.00 N ATOM 899 CA HIS A 57 -4.583 -8.505 -1.011 1.00 0.00 C ATOM 900 C HIS A 57 -5.878 -7.962 -0.432 1.00 0.00 C ATOM 901 O HIS A 57 -6.004 -7.826 0.784 1.00 0.00 O ATOM 902 CB HIS A 57 -3.937 -9.459 0.005 1.00 0.00 C ATOM 903 CG HIS A 57 -2.627 -10.063 -0.422 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.478 -11.402 -0.705 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.390 -9.516 -0.553 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.211 -11.655 -0.983 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.527 -10.530 -0.899 1.00 0.00 N ATOM 0 H HIS A 57 -3.192 -7.014 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.773 -9.063 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.782 -8.918 0.938 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.638 -10.266 0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.132 -8.477 -0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.803 -12.622 -1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.475 -10.429 -1.063 1.00 0.00 H new ATOM 916 N LEU A 58 -6.823 -7.611 -1.297 1.00 0.00 N ATOM 917 CA LEU A 58 -8.117 -7.123 -0.832 1.00 0.00 C ATOM 918 C LEU A 58 -8.866 -8.252 -0.121 1.00 0.00 C ATOM 919 O LEU A 58 -8.365 -9.373 -0.006 1.00 0.00 O ATOM 920 CB LEU A 58 -8.993 -6.591 -1.982 1.00 0.00 C ATOM 921 CG LEU A 58 -8.294 -5.792 -3.074 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.282 -5.487 -4.163 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.695 -4.505 -2.542 1.00 0.00 C ATOM 0 H LEU A 58 -6.721 -7.654 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.922 -6.296 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.490 -7.441 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.773 -5.964 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.472 -6.392 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.791 -4.915 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.666 -6.419 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.108 -4.905 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.207 -3.968 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.484 -3.884 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.962 -4.737 -1.769 1.00 0.00 H new ATOM 935 N HIS A 59 -10.078 -7.970 0.322 1.00 0.00 N ATOM 936 CA HIS A 59 -10.871 -8.960 1.037 1.00 0.00 C ATOM 937 C HIS A 59 -11.434 -9.961 0.040 1.00 0.00 C ATOM 938 O HIS A 59 -11.744 -9.608 -1.090 1.00 0.00 O ATOM 939 CB HIS A 59 -11.993 -8.258 1.808 1.00 0.00 C ATOM 940 CG HIS A 59 -12.556 -9.052 2.948 1.00 0.00 C ATOM 941 ND1 HIS A 59 -11.806 -9.923 3.711 1.00 0.00 N ATOM 942 CD2 HIS A 59 -13.804 -9.081 3.471 1.00 0.00 C ATOM 943 CE1 HIS A 59 -12.568 -10.446 4.652 1.00 0.00 C ATOM 944 NE2 HIS A 59 -13.782 -9.951 4.528 1.00 0.00 N ATOM 0 H HIS A 59 -10.536 -7.067 0.201 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.249 -9.495 1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.614 -7.311 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.799 -8.020 1.114 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -10.817 -10.130 3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.659 -8.522 3.120 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.250 -11.159 5.398 1.00 0.00 H new ATOM 953 N GLU A 60 -11.538 -11.211 0.473 1.00 0.00 N ATOM 954 CA GLU A 60 -11.957 -12.322 -0.384 1.00 0.00 C ATOM 955 C GLU A 60 -13.335 -12.080 -0.990 1.00 0.00 C ATOM 956 O GLU A 60 -13.695 -12.692 -1.994 1.00 0.00 O ATOM 957 CB GLU A 60 -11.987 -13.626 0.420 1.00 0.00 C ATOM 958 CG GLU A 60 -10.740 -13.902 1.256 1.00 0.00 C ATOM 959 CD GLU A 60 -10.796 -13.233 2.615 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.385 -12.060 2.727 1.00 0.00 O ATOM 961 OE2 GLU A 60 -11.261 -13.883 3.578 1.00 0.00 O ATOM 0 H GLU A 60 -11.334 -11.488 1.433 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.232 -12.398 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.852 -13.606 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.133 -14.457 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.625 -14.978 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.860 -13.551 0.717 1.00 0.00 H new ATOM 968 N SER A 61 -14.104 -11.208 -0.351 1.00 0.00 N ATOM 969 CA SER A 61 -15.402 -10.783 -0.858 1.00 0.00 C ATOM 970 C SER A 61 -15.250 -10.059 -2.201 1.00 0.00 C ATOM 971 O SER A 61 -16.201 -9.938 -2.970 1.00 0.00 O ATOM 972 CB SER A 61 -16.068 -9.870 0.177 1.00 0.00 C ATOM 973 OG SER A 61 -17.384 -9.510 -0.202 1.00 0.00 O ATOM 0 H SER A 61 -13.845 -10.775 0.535 1.00 0.00 H new ATOM 0 HA SER A 61 -16.029 -11.659 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.094 -10.375 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.468 -8.969 0.305 1.00 0.00 H new ATOM 0 HG SER A 61 -17.775 -8.929 0.484 1.00 0.00 H new ATOM 979 N PHE A 62 -14.040 -9.593 -2.474 1.00 0.00 N ATOM 980 CA PHE A 62 -13.735 -8.908 -3.716 1.00 0.00 C ATOM 981 C PHE A 62 -13.255 -9.917 -4.755 1.00 0.00 C ATOM 982 O PHE A 62 -12.436 -10.786 -4.450 1.00 0.00 O ATOM 983 CB PHE A 62 -12.656 -7.845 -3.477 1.00 0.00 C ATOM 984 CG PHE A 62 -13.087 -6.708 -2.585 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.462 -6.934 -1.270 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.110 -5.409 -3.065 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.854 -5.891 -0.456 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.501 -4.360 -2.254 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.876 -4.602 -0.949 1.00 0.00 C ATOM 0 H PHE A 62 -13.245 -9.680 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.636 -8.417 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.782 -8.325 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.345 -7.438 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.447 -7.940 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.819 -5.213 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.144 -6.083 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.513 -3.352 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.186 -3.785 -0.314 1.00 0.00 H new ATOM 999 N PRO A 63 -13.779 -9.835 -5.987 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.377 -10.727 -7.080 1.00 0.00 C ATOM 1001 C PRO A 63 -11.925 -10.496 -7.489 1.00 0.00 C ATOM 1002 O PRO A 63 -11.566 -9.391 -7.913 1.00 0.00 O ATOM 1003 CB PRO A 63 -14.324 -10.351 -8.229 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.421 -9.561 -7.600 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.808 -8.877 -6.414 1.00 0.00 C ATOM 0 HA PRO A 63 -13.441 -11.778 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.806 -9.766 -8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.715 -11.241 -8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.830 -8.834 -8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.243 -10.208 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.377 -7.912 -6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.541 -8.693 -5.629 1.00 0.00 H new ATOM 1013 N ARG A 64 -11.099 -11.541 -7.364 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.660 -11.443 -7.623 1.00 0.00 C ATOM 1015 C ARG A 64 -9.058 -10.309 -6.800 1.00 0.00 C ATOM 1016 O ARG A 64 -8.674 -9.277 -7.342 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.385 -11.220 -9.114 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.784 -12.395 -9.989 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.596 -12.081 -11.459 1.00 0.00 C ATOM 1020 NE ARG A 64 -8.193 -11.867 -11.812 1.00 0.00 N ATOM 1021 CZ ARG A 64 -7.756 -11.723 -13.059 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -8.614 -11.709 -14.071 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -6.460 -11.572 -13.290 1.00 0.00 N ATOM 0 H ARG A 64 -11.407 -12.472 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.194 -12.383 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.923 -10.332 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.323 -11.019 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.187 -13.267 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.826 -12.653 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.996 -12.900 -12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.171 -11.191 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.509 -11.826 -11.056 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.613 -11.809 -13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.274 -11.598 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.801 -11.566 -12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.122 -11.461 -14.246 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.970 -10.482 -5.474 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.599 -9.397 -4.570 1.00 0.00 C ATOM 1039 C PRO A 65 -7.133 -8.987 -4.677 1.00 0.00 C ATOM 1040 O PRO A 65 -6.771 -7.873 -4.318 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.898 -9.966 -3.185 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.800 -11.441 -3.342 1.00 0.00 C ATOM 1043 CD PRO A 65 -9.224 -11.743 -4.752 1.00 0.00 C ATOM 0 HA PRO A 65 -9.149 -8.485 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.185 -9.600 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.890 -9.671 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.782 -11.785 -3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.442 -11.952 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.650 -12.568 -5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.275 -12.027 -4.801 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.297 -9.879 -5.163 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.893 -9.582 -5.320 1.00 0.00 C ATOM 1053 C LYS A 66 -4.653 -8.769 -6.577 1.00 0.00 C ATOM 1054 O LYS A 66 -4.712 -9.278 -7.697 1.00 0.00 O ATOM 1055 CB LYS A 66 -4.052 -10.851 -5.333 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.577 -10.589 -5.578 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.769 -11.850 -5.504 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.557 -11.811 -6.416 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.264 -13.041 -6.283 1.00 0.00 N ATOM 0 H LYS A 66 -6.568 -10.818 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.584 -8.988 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.169 -11.367 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.429 -11.521 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.447 -10.131 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.207 -9.876 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.443 -12.010 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.398 -12.698 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.882 -11.699 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.051 -10.939 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.084 -12.982 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.594 -13.134 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.310 -13.871 -6.535 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.396 -7.493 -6.372 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.114 -6.586 -7.462 1.00 0.00 C ATOM 1075 C ARG A 67 -2.634 -6.274 -7.463 1.00 0.00 C ATOM 1076 O ARG A 67 -2.052 -6.037 -6.408 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.923 -5.295 -7.314 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.378 -5.524 -6.936 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.060 -6.490 -7.896 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.484 -6.658 -7.607 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.443 -5.790 -7.940 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.149 -4.641 -8.542 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.707 -6.081 -7.670 1.00 0.00 N ATOM 0 H ARG A 67 -4.377 -7.059 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.397 -7.054 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.454 -4.668 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.884 -4.743 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.433 -5.918 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.909 -4.572 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.940 -6.127 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.565 -7.460 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.767 -7.504 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.179 -4.411 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.894 -3.990 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.941 -6.962 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.446 -5.424 -7.921 1.00 0.00 H new ATOM 1097 N VAL A 68 -2.020 -6.294 -8.627 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.596 -6.061 -8.712 1.00 0.00 C ATOM 1099 C VAL A 68 -0.322 -4.752 -9.448 1.00 0.00 C ATOM 1100 O VAL A 68 -1.049 -4.379 -10.374 1.00 0.00 O ATOM 1101 CB VAL A 68 0.143 -7.247 -9.391 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.512 -8.582 -9.035 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.220 -7.064 -10.895 1.00 0.00 C ATOM 0 H VAL A 68 -2.481 -6.468 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.207 -5.982 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 68 1.163 -7.260 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.027 -9.393 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.481 -8.726 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.549 -8.580 -9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.743 -7.911 -11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.788 -7.004 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.760 -6.145 -11.123 1.00 0.00 H new ATOM 1113 N CYS A 69 0.692 -4.035 -9.004 1.00 0.00 N ATOM 1114 CA CYS A 69 1.060 -2.777 -9.619 1.00 0.00 C ATOM 1115 C CYS A 69 2.554 -2.766 -9.924 1.00 0.00 C ATOM 1116 O CYS A 69 3.383 -2.720 -9.021 1.00 0.00 O ATOM 1117 CB CYS A 69 0.674 -1.621 -8.694 1.00 0.00 C ATOM 1118 SG CYS A 69 -1.082 -1.577 -8.271 1.00 0.00 S ATOM 0 H CYS A 69 1.278 -4.306 -8.214 1.00 0.00 H new ATOM 0 HA CYS A 69 0.523 -2.657 -10.560 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.257 -1.693 -7.776 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.946 -0.680 -9.172 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.251 -0.871 -7.193 1.00 0.00 H new ATOM 1124 N LYS A 70 2.887 -2.852 -11.203 1.00 0.00 N ATOM 1125 CA LYS A 70 4.281 -2.916 -11.643 1.00 0.00 C ATOM 1126 C LYS A 70 4.674 -1.591 -12.276 1.00 0.00 C ATOM 1127 O LYS A 70 5.740 -1.444 -12.875 1.00 0.00 O ATOM 1128 CB LYS A 70 4.446 -4.047 -12.680 1.00 0.00 C ATOM 1129 CG LYS A 70 3.487 -5.213 -12.485 1.00 0.00 C ATOM 1130 CD LYS A 70 4.155 -6.517 -12.828 1.00 0.00 C ATOM 1131 CE LYS A 70 3.168 -7.672 -12.833 1.00 0.00 C ATOM 1132 NZ LYS A 70 3.781 -8.931 -13.333 1.00 0.00 N ATOM 0 H LYS A 70 2.208 -2.880 -11.963 1.00 0.00 H new ATOM 0 HA LYS A 70 4.922 -3.115 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.301 -3.634 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.469 -4.420 -12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.142 -5.237 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.606 -5.074 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.626 -6.437 -13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.948 -6.720 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.790 -7.830 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.312 -7.414 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.072 -9.692 -13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.118 -8.790 -14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.582 -9.193 -12.724 1.00 0.00 H new ATOM 1146 N ASP A 71 3.785 -0.643 -12.125 1.00 0.00 N ATOM 1147 CA ASP A 71 3.878 0.651 -12.790 1.00 0.00 C ATOM 1148 C ASP A 71 4.319 1.741 -11.811 1.00 0.00 C ATOM 1149 O ASP A 71 4.567 1.447 -10.643 1.00 0.00 O ATOM 1150 CB ASP A 71 2.503 0.997 -13.386 1.00 0.00 C ATOM 1151 CG ASP A 71 2.183 0.198 -14.633 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.809 0.454 -15.684 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.302 -0.687 -14.572 1.00 0.00 O ATOM 0 H ASP A 71 2.962 -0.740 -11.531 1.00 0.00 H new ATOM 0 HA ASP A 71 4.626 0.595 -13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.732 0.816 -12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.473 2.060 -13.624 1.00 0.00 H new ATOM 1158 N PRO A 72 4.491 3.003 -12.281 1.00 0.00 N ATOM 1159 CA PRO A 72 4.560 4.195 -11.398 1.00 0.00 C ATOM 1160 C PRO A 72 3.424 4.214 -10.337 1.00 0.00 C ATOM 1161 O PRO A 72 2.689 3.238 -10.238 1.00 0.00 O ATOM 1162 CB PRO A 72 4.422 5.344 -12.404 1.00 0.00 C ATOM 1163 CG PRO A 72 5.061 4.832 -13.639 1.00 0.00 C ATOM 1164 CD PRO A 72 4.738 3.365 -13.699 1.00 0.00 C ATOM 0 HA PRO A 72 5.471 4.238 -10.801 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.376 5.599 -12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.916 6.247 -12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.680 5.351 -14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.139 4.993 -13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.863 3.172 -14.320 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.562 2.790 -14.122 1.00 0.00 H new ATOM 1172 N PRO A 73 3.213 5.341 -9.580 1.00 0.00 N ATOM 1173 CA PRO A 73 2.405 5.381 -8.353 1.00 0.00 C ATOM 1174 C PRO A 73 1.420 4.226 -8.180 1.00 0.00 C ATOM 1175 O PRO A 73 0.437 4.095 -8.915 1.00 0.00 O ATOM 1176 CB PRO A 73 1.671 6.699 -8.525 1.00 0.00 C ATOM 1177 CG PRO A 73 2.664 7.594 -9.208 1.00 0.00 C ATOM 1178 CD PRO A 73 3.705 6.703 -9.852 1.00 0.00 C ATOM 0 HA PRO A 73 3.024 5.290 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.769 6.576 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.361 7.110 -7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.171 8.213 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.128 8.271 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.788 6.893 -10.922 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.693 6.866 -9.422 1.00 0.00 H new ATOM 1186 N TYR A 74 1.713 3.405 -7.185 1.00 0.00 N ATOM 1187 CA TYR A 74 1.026 2.142 -6.973 1.00 0.00 C ATOM 1188 C TYR A 74 -0.287 2.364 -6.228 1.00 0.00 C ATOM 1189 O TYR A 74 -0.312 3.007 -5.175 1.00 0.00 O ATOM 1190 CB TYR A 74 1.935 1.203 -6.177 1.00 0.00 C ATOM 1191 CG TYR A 74 3.360 1.115 -6.706 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.302 2.098 -6.413 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.764 0.045 -7.492 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.598 2.012 -6.888 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.058 -0.047 -7.970 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.970 0.936 -7.664 1.00 0.00 C ATOM 1197 OH TYR A 74 7.257 0.846 -8.144 1.00 0.00 O ATOM 0 H TYR A 74 2.440 3.598 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 74 0.795 1.693 -7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.965 1.537 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.497 0.205 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.015 2.943 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.053 -0.731 -7.735 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.315 2.784 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.352 -0.888 -8.581 1.00 0.00 H new ATOM 0 HH TYR A 74 7.318 1.311 -9.004 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.368 1.824 -6.776 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.705 2.057 -6.239 1.00 0.00 C ATOM 1209 C LYS A 75 -3.681 0.973 -6.662 1.00 0.00 C ATOM 1210 O LYS A 75 -3.523 0.337 -7.703 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.247 3.411 -6.715 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.041 3.666 -8.200 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.079 4.625 -8.764 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.967 6.001 -8.133 1.00 0.00 C ATOM 1215 NZ LYS A 75 -4.653 7.044 -8.941 1.00 0.00 N ATOM 0 H LYS A 75 -1.346 1.218 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.614 2.047 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.312 3.465 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.762 4.206 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.044 4.075 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.090 2.721 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.951 4.707 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.078 4.224 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.398 5.977 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.915 6.263 -8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.998 7.833 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.957 6.636 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.484 7.394 -8.423 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.690 0.782 -5.835 1.00 0.00 N ATOM 1230 CA VAL A 76 -5.830 -0.058 -6.180 1.00 0.00 C ATOM 1231 C VAL A 76 -7.115 0.743 -6.048 1.00 0.00 C ATOM 1232 O VAL A 76 -7.344 1.395 -5.030 1.00 0.00 O ATOM 1233 CB VAL A 76 -5.933 -1.331 -5.310 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.344 -1.888 -5.352 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -4.955 -2.382 -5.789 1.00 0.00 C ATOM 0 H VAL A 76 -4.747 1.201 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.679 -0.383 -7.210 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.687 -1.062 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.400 -2.784 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.041 -1.141 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.606 -2.139 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.042 -3.271 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.178 -2.642 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.940 -1.991 -5.724 1.00 0.00 H new ATOM 1245 N GLU A 77 -7.933 0.714 -7.086 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.236 1.352 -7.043 1.00 0.00 C ATOM 1247 C GLU A 77 -10.327 0.316 -7.122 1.00 0.00 C ATOM 1248 O GLU A 77 -10.427 -0.437 -8.093 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.398 2.373 -8.159 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.587 3.618 -7.941 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.729 4.608 -9.072 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -8.007 4.479 -10.081 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -9.583 5.512 -8.969 1.00 0.00 O ATOM 0 H GLU A 77 -7.717 0.254 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.314 1.883 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.106 1.917 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.450 2.643 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.896 4.090 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.537 3.348 -7.829 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.149 0.302 -6.103 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.197 -0.696 -5.977 1.00 0.00 C ATOM 1262 C GLU A 78 -13.484 -0.082 -5.473 1.00 0.00 C ATOM 1263 O GLU A 78 -13.559 1.124 -5.225 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.770 -1.820 -5.030 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.279 -3.070 -5.736 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.232 -3.549 -6.810 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.216 -4.237 -6.474 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -12.001 -3.256 -7.999 1.00 0.00 O ATOM 0 H GLU A 78 -11.116 0.976 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.369 -1.108 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.980 -1.450 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.614 -2.083 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.305 -2.870 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.136 -3.864 -5.003 1.00 0.00 H new ATOM 1275 N SER A 79 -14.486 -0.925 -5.317 1.00 0.00 N ATOM 1276 CA SER A 79 -15.794 -0.484 -4.886 1.00 0.00 C ATOM 1277 C SER A 79 -16.476 -1.603 -4.102 1.00 0.00 C ATOM 1278 O SER A 79 -16.403 -2.775 -4.481 1.00 0.00 O ATOM 1279 CB SER A 79 -16.622 -0.065 -6.105 1.00 0.00 C ATOM 1280 OG SER A 79 -17.807 0.616 -5.727 1.00 0.00 O ATOM 0 H SER A 79 -14.415 -1.929 -5.485 1.00 0.00 H new ATOM 0 HA SER A 79 -15.701 0.381 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.022 0.579 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.881 -0.948 -6.690 1.00 0.00 H new ATOM 0 HG SER A 79 -17.766 1.543 -6.042 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.117 -1.231 -3.005 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.716 -2.194 -2.104 1.00 0.00 C ATOM 1288 C GLY A 80 -18.673 -1.511 -1.155 1.00 0.00 C ATOM 1289 O GLY A 80 -19.258 -0.494 -1.508 1.00 0.00 O ATOM 0 H GLY A 80 -17.234 -0.259 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.245 -2.956 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.937 -2.704 -1.538 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.850 -2.044 0.045 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.749 -1.412 1.009 1.00 0.00 C ATOM 1295 C TYR A 81 -19.283 -1.606 2.450 1.00 0.00 C ATOM 1296 O TYR A 81 -20.067 -1.440 3.383 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.183 -1.936 0.832 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.294 -3.447 0.854 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.439 -4.143 2.047 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.247 -4.177 -0.327 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.532 -5.521 2.060 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.339 -5.553 -0.320 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.481 -6.220 0.874 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.568 -7.592 0.883 1.00 0.00 O ATOM 0 H TYR A 81 -18.395 -2.896 0.374 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.734 -0.341 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.810 -1.524 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.580 -1.566 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.480 -3.598 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.136 -3.658 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.644 -6.048 2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.300 -6.104 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.517 -7.929 -0.036 1.00 0.00 H new ATOM 1314 N ALA A 82 -18.007 -1.933 2.636 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.469 -2.150 3.976 1.00 0.00 C ATOM 1316 C ALA A 82 -15.949 -2.019 3.996 1.00 0.00 C ATOM 1317 O ALA A 82 -15.298 -2.095 2.952 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.880 -3.521 4.487 1.00 0.00 C ATOM 0 H ALA A 82 -17.331 -2.053 1.882 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.880 -1.381 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.474 -3.673 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.968 -3.585 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.494 -4.290 3.818 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.393 -1.820 5.193 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.953 -1.682 5.345 1.00 0.00 C ATOM 1326 C GLY A 83 -13.310 -2.925 5.937 1.00 0.00 C ATOM 1327 O GLY A 83 -14.007 -3.877 6.293 1.00 0.00 O ATOM 0 H GLY A 83 -15.920 -1.752 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.506 -1.473 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.739 -0.826 5.985 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.979 -2.912 6.046 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.213 -4.082 6.497 1.00 0.00 C ATOM 1333 C PHE A 84 -9.709 -3.784 6.458 1.00 0.00 C ATOM 1334 O PHE A 84 -9.272 -2.908 5.718 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.529 -5.302 5.606 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.283 -5.078 4.132 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.208 -4.392 3.359 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.131 -5.550 3.525 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.992 -4.177 2.014 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.906 -5.340 2.178 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.836 -4.651 1.419 1.00 0.00 C ATOM 0 H PHE A 84 -11.404 -2.099 5.827 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.500 -4.308 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.925 -6.146 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.573 -5.581 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.112 -4.020 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.401 -6.088 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.723 -3.640 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.004 -5.714 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.660 -4.484 0.367 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.930 -4.479 7.290 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.472 -4.417 7.195 1.00 0.00 C ATOM 1353 C ILE A 85 -7.030 -4.983 5.856 1.00 0.00 C ATOM 1354 O ILE A 85 -7.403 -6.103 5.499 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.775 -5.211 8.334 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.824 -4.437 9.651 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.329 -5.546 7.976 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.025 -3.153 9.633 1.00 0.00 C ATOM 0 H ILE A 85 -9.282 -5.086 8.031 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.181 -3.371 7.289 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.321 -6.146 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.862 -4.205 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.450 -5.076 10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.871 -6.101 8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.309 -6.152 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.773 -4.624 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.108 -2.659 10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.978 -3.379 9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.412 -2.494 8.856 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.255 -4.211 5.117 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.787 -4.645 3.817 1.00 0.00 C ATOM 1372 C LEU A 86 -4.280 -4.849 3.855 1.00 0.00 C ATOM 1373 O LEU A 86 -3.516 -3.889 3.975 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.171 -3.621 2.748 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.393 -4.210 1.354 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.460 -3.434 0.608 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.119 -4.190 0.552 1.00 0.00 C ATOM 0 H LEU A 86 -5.938 -3.282 5.395 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.260 -5.594 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.082 -3.111 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.387 -2.866 2.689 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.719 -5.242 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.602 -3.870 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.397 -3.479 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.149 -2.394 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.304 -4.614 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.772 -3.162 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.358 -4.779 1.063 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.837 -6.112 3.798 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.420 -6.449 3.779 1.00 0.00 C ATOM 1391 C PRO A 87 -1.785 -6.079 2.441 1.00 0.00 C ATOM 1392 O PRO A 87 -1.961 -6.778 1.435 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.391 -7.973 3.991 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.789 -8.358 4.356 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.681 -7.311 3.757 1.00 0.00 C ATOM 0 HA PRO A 87 -1.856 -5.908 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.067 -8.488 3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.691 -8.245 4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.034 -9.347 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.911 -8.401 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.977 -7.564 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.598 -7.182 4.332 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.069 -4.969 2.430 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.464 -4.462 1.218 1.00 0.00 C ATOM 1405 C ILE A 88 1.005 -4.847 1.152 1.00 0.00 C ATOM 1406 O ILE A 88 1.696 -4.857 2.167 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.585 -2.927 1.133 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.030 -2.501 1.412 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.149 -2.462 -0.244 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.170 -1.055 1.827 1.00 0.00 C ATOM 0 H ILE A 88 -0.893 -4.399 3.257 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.998 -4.907 0.378 1.00 0.00 H new ATOM 0 HB ILE A 88 0.060 -2.468 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.629 -2.672 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.441 -3.136 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.234 -1.377 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.887 -2.755 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.786 -2.919 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.221 -0.828 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.600 -0.882 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.790 -0.411 1.034 1.00 0.00 H new ATOM 1422 N GLU A 89 1.481 -5.161 -0.039 1.00 0.00 N ATOM 1423 CA GLU A 89 2.872 -5.524 -0.219 1.00 0.00 C ATOM 1424 C GLU A 89 3.565 -4.599 -1.200 1.00 0.00 C ATOM 1425 O GLU A 89 3.070 -4.344 -2.298 1.00 0.00 O ATOM 1426 CB GLU A 89 3.013 -6.963 -0.698 1.00 0.00 C ATOM 1427 CG GLU A 89 2.695 -8.004 0.359 1.00 0.00 C ATOM 1428 CD GLU A 89 3.040 -9.404 -0.105 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.238 -9.767 -0.075 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.120 -10.152 -0.504 1.00 0.00 O ATOM 0 H GLU A 89 0.925 -5.172 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 89 3.350 -5.426 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.354 -7.116 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.033 -7.119 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.248 -7.777 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.635 -7.955 0.609 1.00 0.00 H new ATOM 1437 N VAL A 90 4.718 -4.108 -0.788 1.00 0.00 N ATOM 1438 CA VAL A 90 5.551 -3.282 -1.638 1.00 0.00 C ATOM 1439 C VAL A 90 6.855 -4.028 -1.892 1.00 0.00 C ATOM 1440 O VAL A 90 7.681 -4.175 -0.990 1.00 0.00 O ATOM 1441 CB VAL A 90 5.828 -1.897 -1.002 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.340 -0.905 -2.038 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.566 -1.365 -0.348 1.00 0.00 C ATOM 0 H VAL A 90 5.102 -4.270 0.143 1.00 0.00 H new ATOM 0 HA VAL A 90 5.031 -3.095 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 90 6.602 -2.021 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.525 0.057 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.267 -1.279 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.595 -0.783 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.770 -0.391 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.782 -1.265 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.239 -2.057 0.428 1.00 0.00 H new ATOM 1453 N TYR A 91 7.008 -4.547 -3.103 1.00 0.00 N ATOM 1454 CA TYR A 91 8.166 -5.374 -3.441 1.00 0.00 C ATOM 1455 C TYR A 91 9.408 -4.521 -3.580 1.00 0.00 C ATOM 1456 O TYR A 91 9.370 -3.443 -4.153 1.00 0.00 O ATOM 1457 CB TYR A 91 7.940 -6.144 -4.741 1.00 0.00 C ATOM 1458 CG TYR A 91 7.233 -7.470 -4.574 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.077 -7.581 -3.818 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.731 -8.612 -5.184 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.440 -8.796 -3.669 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.095 -9.830 -5.045 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.952 -9.915 -4.286 1.00 0.00 C ATOM 1464 OH TYR A 91 5.323 -11.129 -4.129 1.00 0.00 O ATOM 0 H TYR A 91 6.348 -4.412 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 91 8.302 -6.088 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.359 -5.521 -5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.905 -6.319 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.669 -6.704 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.631 -8.548 -5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.544 -8.869 -3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.493 -10.710 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 91 5.810 -11.817 -4.629 1.00 0.00 H new ATOM 1474 N PHE A 92 10.507 -5.028 -3.079 1.00 0.00 N ATOM 1475 CA PHE A 92 11.758 -4.298 -3.079 1.00 0.00 C ATOM 1476 C PHE A 92 12.712 -4.882 -4.124 1.00 0.00 C ATOM 1477 O PHE A 92 12.513 -6.004 -4.590 1.00 0.00 O ATOM 1478 CB PHE A 92 12.386 -4.402 -1.691 1.00 0.00 C ATOM 1479 CG PHE A 92 11.637 -3.657 -0.621 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.021 -2.450 -0.900 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.582 -4.149 0.676 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.367 -1.748 0.086 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.916 -3.449 1.664 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.313 -2.249 1.366 1.00 0.00 C ATOM 0 H PHE A 92 10.564 -5.956 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 92 11.571 -3.253 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.449 -5.453 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.407 -4.022 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.054 -2.054 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.063 -5.086 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.896 -0.804 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.869 -3.843 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.796 -1.699 2.139 1.00 0.00 H new ATOM 1494 N LYS A 93 13.745 -4.130 -4.493 1.00 0.00 N ATOM 1495 CA LYS A 93 14.768 -4.638 -5.397 1.00 0.00 C ATOM 1496 C LYS A 93 16.019 -4.941 -4.590 1.00 0.00 C ATOM 1497 O LYS A 93 16.849 -4.058 -4.362 1.00 0.00 O ATOM 1498 CB LYS A 93 15.105 -3.617 -6.491 1.00 0.00 C ATOM 1499 CG LYS A 93 13.907 -3.120 -7.279 1.00 0.00 C ATOM 1500 CD LYS A 93 14.317 -2.033 -8.271 1.00 0.00 C ATOM 1501 CE LYS A 93 13.144 -1.540 -9.115 1.00 0.00 C ATOM 1502 NZ LYS A 93 13.593 -0.957 -10.406 1.00 0.00 N ATOM 0 H LYS A 93 13.894 -3.171 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 93 14.391 -5.539 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.602 -2.762 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.818 -4.066 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.449 -3.952 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.154 -2.728 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.748 -1.192 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.096 -2.420 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.463 -2.369 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.584 -0.792 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.766 -0.635 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.222 -0.150 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.106 -1.678 -10.953 1.00 0.00 H new ATOM 1516 N ASN A 94 16.154 -6.177 -4.147 1.00 0.00 N ATOM 1517 CA ASN A 94 17.247 -6.542 -3.266 1.00 0.00 C ATOM 1518 C ASN A 94 17.566 -8.023 -3.413 1.00 0.00 C ATOM 1519 O ASN A 94 16.728 -8.797 -3.867 1.00 0.00 O ATOM 1520 CB ASN A 94 16.864 -6.213 -1.829 1.00 0.00 C ATOM 1521 CG ASN A 94 18.041 -6.244 -0.878 1.00 0.00 C ATOM 1522 OD1 ASN A 94 19.176 -5.995 -1.273 1.00 0.00 O ATOM 1523 ND2 ASN A 94 17.779 -6.545 0.382 1.00 0.00 N ATOM 0 H ASN A 94 15.523 -6.943 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 94 18.139 -5.975 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.406 -5.224 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.111 -6.923 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.535 -6.577 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.821 -6.746 0.670 1.00 0.00 H new ATOM 1530 N LYS A 95 18.790 -8.406 -3.104 1.00 0.00 N ATOM 1531 CA LYS A 95 19.164 -9.815 -3.085 1.00 0.00 C ATOM 1532 C LYS A 95 19.530 -10.216 -1.665 1.00 0.00 C ATOM 1533 O LYS A 95 19.851 -11.366 -1.376 1.00 0.00 O ATOM 1534 CB LYS A 95 20.343 -10.047 -4.030 1.00 0.00 C ATOM 1535 CG LYS A 95 20.576 -11.497 -4.423 1.00 0.00 C ATOM 1536 CD LYS A 95 22.050 -11.769 -4.691 1.00 0.00 C ATOM 1537 CE LYS A 95 22.641 -10.789 -5.698 1.00 0.00 C ATOM 1538 NZ LYS A 95 21.953 -10.847 -7.015 1.00 0.00 N ATOM 0 H LYS A 95 19.545 -7.765 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 95 18.326 -10.426 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 95 20.184 -9.462 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.248 -9.664 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.222 -12.153 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.993 -11.733 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.606 -11.706 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 95 22.168 -12.786 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 95 22.572 -9.777 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.700 -11.007 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.433 -10.213 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.981 -11.821 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.963 -10.548 -6.903 1.00 0.00 H new ATOM 1552 N GLU A 96 19.441 -9.239 -0.793 1.00 0.00 N ATOM 1553 CA GLU A 96 19.779 -9.380 0.609 1.00 0.00 C ATOM 1554 C GLU A 96 18.491 -9.582 1.398 1.00 0.00 C ATOM 1555 O GLU A 96 17.560 -10.207 0.885 1.00 0.00 O ATOM 1556 CB GLU A 96 20.534 -8.123 1.091 1.00 0.00 C ATOM 1557 CG GLU A 96 21.988 -8.005 0.623 1.00 0.00 C ATOM 1558 CD GLU A 96 22.179 -8.280 -0.857 1.00 0.00 C ATOM 1559 OE1 GLU A 96 21.631 -7.524 -1.687 1.00 0.00 O ATOM 1560 OE2 GLU A 96 22.878 -9.257 -1.196 1.00 0.00 O ATOM 0 H GLU A 96 19.125 -8.302 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 96 20.430 -10.241 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.989 -7.242 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 96 20.519 -8.108 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.352 -7.002 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 96 22.602 -8.701 1.195 1.00 0.00 H new ATOM 1567 N GLU A 97 18.486 -9.144 2.660 1.00 0.00 N ATOM 1568 CA GLU A 97 17.291 -9.163 3.525 1.00 0.00 C ATOM 1569 C GLU A 97 15.975 -8.916 2.766 1.00 0.00 C ATOM 1570 O GLU A 97 15.985 -8.353 1.669 1.00 0.00 O ATOM 1571 CB GLU A 97 17.435 -8.110 4.620 1.00 0.00 C ATOM 1572 CG GLU A 97 18.549 -8.399 5.610 1.00 0.00 C ATOM 1573 CD GLU A 97 18.320 -9.677 6.384 1.00 0.00 C ATOM 1574 OE1 GLU A 97 18.622 -10.765 5.855 1.00 0.00 O ATOM 1575 OE2 GLU A 97 17.836 -9.602 7.533 1.00 0.00 O ATOM 0 H GLU A 97 19.314 -8.763 3.118 1.00 0.00 H new ATOM 0 HA GLU A 97 17.234 -10.167 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.617 -7.141 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.492 -8.032 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.497 -8.467 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.635 -7.566 6.308 1.00 0.00 H new ATOM 1582 N PRO A 98 14.824 -9.260 3.393 1.00 0.00 N ATOM 1583 CA PRO A 98 13.516 -9.372 2.736 1.00 0.00 C ATOM 1584 C PRO A 98 13.302 -8.405 1.572 1.00 0.00 C ATOM 1585 O PRO A 98 13.403 -7.184 1.719 1.00 0.00 O ATOM 1586 CB PRO A 98 12.513 -9.089 3.872 1.00 0.00 C ATOM 1587 CG PRO A 98 13.345 -8.844 5.090 1.00 0.00 C ATOM 1588 CD PRO A 98 14.663 -9.510 4.824 1.00 0.00 C ATOM 0 HA PRO A 98 13.406 -10.352 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.892 -8.223 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.840 -9.933 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.475 -7.776 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.869 -9.259 5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.471 -9.073 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.640 -10.575 5.056 1.00 0.00 H new ATOM 1596 N ARG A 99 12.990 -8.972 0.416 1.00 0.00 N ATOM 1597 CA ARG A 99 12.791 -8.200 -0.801 1.00 0.00 C ATOM 1598 C ARG A 99 11.334 -7.783 -0.923 1.00 0.00 C ATOM 1599 O ARG A 99 10.841 -7.478 -2.008 1.00 0.00 O ATOM 1600 CB ARG A 99 13.220 -8.998 -2.038 1.00 0.00 C ATOM 1601 CG ARG A 99 14.668 -9.456 -2.005 1.00 0.00 C ATOM 1602 CD ARG A 99 14.802 -10.858 -1.460 1.00 0.00 C ATOM 1603 NE ARG A 99 16.169 -11.366 -1.485 1.00 0.00 N ATOM 1604 CZ ARG A 99 16.471 -12.660 -1.355 1.00 0.00 C ATOM 1605 NH1 ARG A 99 15.502 -13.566 -1.294 1.00 0.00 N ATOM 1606 NH2 ARG A 99 17.739 -13.052 -1.295 1.00 0.00 N ATOM 0 H ARG A 99 12.868 -9.977 0.296 1.00 0.00 H new ATOM 0 HA ARG A 99 13.414 -7.307 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.575 -9.871 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.063 -8.385 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.085 -9.416 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.252 -8.770 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.435 -10.877 -0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.164 -11.526 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 99 16.932 -10.700 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.526 -13.273 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.733 -14.554 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 99 18.489 -12.363 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.963 -14.042 -1.196 1.00 0.00 H new ATOM 1620 N LYS A 100 10.649 -7.792 0.204 1.00 0.00 N ATOM 1621 CA LYS A 100 9.248 -7.412 0.259 1.00 0.00 C ATOM 1622 C LYS A 100 8.908 -6.860 1.631 1.00 0.00 C ATOM 1623 O LYS A 100 9.517 -7.241 2.634 1.00 0.00 O ATOM 1624 CB LYS A 100 8.338 -8.609 -0.035 1.00 0.00 C ATOM 1625 CG LYS A 100 8.551 -9.780 0.913 1.00 0.00 C ATOM 1626 CD LYS A 100 7.317 -10.671 1.036 1.00 0.00 C ATOM 1627 CE LYS A 100 7.078 -11.543 -0.189 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.457 -10.790 -1.305 1.00 0.00 N ATOM 0 H LYS A 100 11.045 -8.062 1.105 1.00 0.00 H new ATOM 0 HA LYS A 100 9.083 -6.647 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.298 -8.288 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.510 -8.944 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.392 -10.378 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.819 -9.400 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.425 -11.310 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.441 -10.045 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.026 -11.965 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.435 -12.380 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.952 -11.450 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.786 -10.093 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.197 -10.298 -1.846 1.00 0.00 H new ATOM 1642 N VAL A 101 7.948 -5.961 1.672 1.00 0.00 N ATOM 1643 CA VAL A 101 7.431 -5.465 2.926 1.00 0.00 C ATOM 1644 C VAL A 101 5.908 -5.567 2.933 1.00 0.00 C ATOM 1645 O VAL A 101 5.262 -5.358 1.904 1.00 0.00 O ATOM 1646 CB VAL A 101 7.879 -4.012 3.172 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.267 -3.063 2.148 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.554 -3.581 4.592 1.00 0.00 C ATOM 0 H VAL A 101 7.508 -5.558 0.845 1.00 0.00 H new ATOM 0 HA VAL A 101 7.832 -6.077 3.734 1.00 0.00 H new ATOM 0 HB VAL A 101 8.961 -3.968 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.602 -2.046 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.580 -3.357 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.180 -3.107 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.879 -2.552 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.479 -3.650 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.071 -4.232 5.297 1.00 0.00 H new ATOM 1658 N ARG A 102 5.340 -5.910 4.079 1.00 0.00 N ATOM 1659 CA ARG A 102 3.902 -6.086 4.182 1.00 0.00 C ATOM 1660 C ARG A 102 3.312 -5.045 5.123 1.00 0.00 C ATOM 1661 O ARG A 102 3.551 -5.086 6.331 1.00 0.00 O ATOM 1662 CB ARG A 102 3.563 -7.487 4.695 1.00 0.00 C ATOM 1663 CG ARG A 102 2.148 -7.925 4.337 1.00 0.00 C ATOM 1664 CD ARG A 102 1.615 -8.977 5.287 1.00 0.00 C ATOM 1665 NE ARG A 102 1.389 -8.445 6.634 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.929 -8.954 7.740 1.00 0.00 C ATOM 1667 NH1 ARG A 102 2.781 -9.970 7.666 1.00 0.00 N ATOM 1668 NH2 ARG A 102 1.635 -8.421 8.918 1.00 0.00 N ATOM 0 H ARG A 102 5.851 -6.071 4.947 1.00 0.00 H new ATOM 0 HA ARG A 102 3.473 -5.961 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.274 -8.202 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.682 -7.510 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.487 -7.058 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.138 -8.318 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.680 -9.377 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.320 -9.807 5.340 1.00 0.00 H new ATOM 0 HE ARG A 102 0.779 -7.633 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.026 -10.365 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.191 -10.355 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.999 -7.626 8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.045 -8.806 9.769 1.00 0.00 H new ATOM 1682 N PHE A 103 2.553 -4.114 4.572 1.00 0.00 N ATOM 1683 CA PHE A 103 1.920 -3.082 5.370 1.00 0.00 C ATOM 1684 C PHE A 103 0.448 -3.398 5.570 1.00 0.00 C ATOM 1685 O PHE A 103 -0.314 -3.489 4.608 1.00 0.00 O ATOM 1686 CB PHE A 103 2.075 -1.720 4.698 1.00 0.00 C ATOM 1687 CG PHE A 103 3.500 -1.273 4.565 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.397 -1.439 5.608 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.937 -0.666 3.401 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.703 -1.009 5.490 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.240 -0.237 3.278 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.125 -0.407 4.323 1.00 0.00 C ATOM 0 H PHE A 103 2.361 -4.053 3.572 1.00 0.00 H new ATOM 0 HA PHE A 103 2.409 -3.051 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.622 -1.760 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.522 -0.976 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 103 4.070 -1.910 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.249 -0.527 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.393 -1.144 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.569 0.233 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.146 -0.069 4.227 1.00 0.00 H new ATOM 1702 N ASP A 104 0.050 -3.574 6.817 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.336 -3.877 7.130 1.00 0.00 C ATOM 1704 C ASP A 104 -2.101 -2.579 7.324 1.00 0.00 C ATOM 1705 O ASP A 104 -2.238 -2.084 8.443 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.438 -4.741 8.391 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.532 -5.955 8.344 1.00 0.00 C ATOM 1708 OD1 ASP A 104 -0.791 -6.873 7.539 1.00 0.00 O ATOM 1709 OD2 ASP A 104 0.449 -5.998 9.118 1.00 0.00 O ATOM 0 H ASP A 104 0.665 -3.513 7.628 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.768 -4.439 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.184 -4.137 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.470 -5.068 8.520 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.588 -2.022 6.228 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.228 -0.719 6.258 1.00 0.00 C ATOM 1716 C TYR A 105 -4.720 -0.869 6.531 1.00 0.00 C ATOM 1717 O TYR A 105 -5.385 -1.723 5.943 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.979 0.010 4.934 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.631 1.368 4.844 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.224 2.422 5.652 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.651 1.593 3.939 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.819 3.666 5.549 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.252 2.825 3.833 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.833 3.861 4.638 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.424 5.104 4.520 1.00 0.00 O ATOM 0 H TYR A 105 -2.552 -2.454 5.304 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.799 -0.125 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.904 0.125 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.344 -0.611 4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.432 2.268 6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.982 0.786 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.491 4.479 6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.049 2.980 3.121 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.374 5.573 5.379 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.238 -0.051 7.436 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.641 -0.135 7.810 1.00 0.00 C ATOM 1737 C ASP A 106 -7.505 0.620 6.811 1.00 0.00 C ATOM 1738 O ASP A 106 -7.468 1.853 6.743 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.865 0.416 9.219 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.283 0.188 9.708 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.625 -0.969 10.031 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -9.063 1.161 9.782 1.00 0.00 O ATOM 0 H ASP A 106 -4.711 0.674 7.922 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.929 -1.186 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.165 -0.058 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.647 1.484 9.228 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.260 -0.122 6.016 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.151 0.476 5.045 1.00 0.00 C ATOM 1749 C LEU A 107 -10.458 0.890 5.704 1.00 0.00 C ATOM 1750 O LEU A 107 -11.389 0.091 5.797 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.448 -0.505 3.918 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.897 -0.124 2.551 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.385 -0.218 2.530 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.501 -1.012 1.491 1.00 0.00 C ATOM 0 H LEU A 107 -8.270 -1.142 6.027 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.658 1.358 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.045 -1.480 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.529 -0.619 3.835 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.168 0.911 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.017 0.059 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.968 0.459 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.081 -1.240 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.103 -0.735 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.252 -2.052 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.584 -0.891 1.489 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.527 2.127 6.170 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.761 2.626 6.766 1.00 0.00 C ATOM 1768 C PHE A 108 -12.537 3.458 5.756 1.00 0.00 C ATOM 1769 O PHE A 108 -11.968 4.266 5.026 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.508 3.440 8.054 1.00 0.00 C ATOM 1771 CG PHE A 108 -10.725 4.717 7.872 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.366 5.890 7.499 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.357 4.753 8.095 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -10.659 7.066 7.344 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -8.647 5.930 7.945 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.299 7.086 7.568 1.00 0.00 C ATOM 0 H PHE A 108 -9.758 2.796 6.149 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.355 1.757 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.471 3.685 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -10.977 2.807 8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.432 5.883 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.840 3.852 8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.171 7.969 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.582 5.944 8.123 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.745 8.005 7.449 1.00 0.00 H new ATOM 1786 N LEU A 109 -13.830 3.233 5.688 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.697 4.032 4.843 1.00 0.00 C ATOM 1788 C LEU A 109 -15.609 4.846 5.752 1.00 0.00 C ATOM 1789 O LEU A 109 -16.002 4.369 6.812 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.524 3.128 3.918 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.724 2.063 3.150 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.619 1.313 2.177 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.558 2.692 2.406 1.00 0.00 C ATOM 0 H LEU A 109 -14.309 2.499 6.210 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.106 4.695 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.286 2.626 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.047 3.756 3.197 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.329 1.355 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.031 0.565 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.422 0.821 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.047 2.015 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.008 1.918 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.934 3.427 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.894 3.182 3.118 1.00 0.00 H new ATOM 1805 N HIS A 110 -15.919 6.078 5.373 1.00 0.00 N ATOM 1806 CA HIS A 110 -16.791 6.906 6.198 1.00 0.00 C ATOM 1807 C HIS A 110 -18.255 6.647 5.862 1.00 0.00 C ATOM 1808 O HIS A 110 -18.561 5.944 4.896 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.448 8.390 6.066 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.477 8.881 7.101 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -14.231 8.458 7.427 1.00 0.00 N flip ATOM 1812 CD2 HIS A 110 -15.742 9.946 7.936 1.00 0.00 C flip ATOM 1813 CE1 HIS A 110 -13.775 9.267 8.437 1.00 0.00 C flip ATOM 1814 NE2 HIS A 110 -14.705 10.154 8.724 1.00 0.00 N flip ATOM 0 H HIS A 110 -15.588 6.521 4.516 1.00 0.00 H new ATOM 0 HA HIS A 110 -16.626 6.628 7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.031 8.570 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.366 8.973 6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.657 10.520 7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.811 9.189 8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.635 10.880 9.437 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.148 7.239 6.639 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.560 6.877 6.616 1.00 0.00 C ATOM 1825 C LEU A 111 -21.254 7.239 5.310 1.00 0.00 C ATOM 1826 O LEU A 111 -21.006 8.286 4.704 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.283 7.508 7.802 1.00 0.00 C ATOM 1828 CG LEU A 111 -21.651 6.517 8.908 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -22.823 5.653 8.473 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -20.462 5.632 9.241 1.00 0.00 C ATOM 0 H LEU A 111 -18.918 7.980 7.301 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.607 5.791 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.652 8.290 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.192 7.991 7.444 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.934 7.083 9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.074 4.953 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.684 6.287 8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -22.553 5.099 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -20.739 4.932 10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.161 5.077 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -19.632 6.251 9.581 1.00 0.00 H new ATOM 1910 N VAL A 117 -12.940 10.726 3.012 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.796 9.891 3.340 1.00 0.00 C ATOM 1912 C VAL A 117 -10.599 10.171 2.438 1.00 0.00 C ATOM 1913 O VAL A 117 -10.640 9.899 1.241 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.145 8.397 3.255 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -10.911 7.547 3.478 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.225 8.038 4.259 1.00 0.00 C ATOM 0 HA VAL A 117 -11.527 10.143 4.366 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.527 8.195 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.179 6.492 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.167 7.779 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.498 7.757 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.456 6.976 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.873 8.260 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.123 8.621 4.052 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.552 10.738 3.018 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.275 10.902 2.329 1.00 0.00 C ATOM 1928 C ASN A 118 -7.141 10.762 3.344 1.00 0.00 C ATOM 1929 O ASN A 118 -6.794 11.724 4.025 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.222 12.272 1.636 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.126 12.398 0.581 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -5.958 11.811 0.821 1.00 0.00 O flip ATOM 1933 ND2 ASN A 118 -7.326 13.053 -0.442 1.00 0.00 N flip ATOM 0 H ASN A 118 -9.560 11.096 3.973 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.165 10.133 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.186 12.467 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.074 13.043 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -8.234 13.492 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.584 13.157 -1.134 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.560 9.571 3.436 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.549 9.297 4.459 1.00 0.00 C ATOM 1942 C HIS A 119 -4.253 8.788 3.838 1.00 0.00 C ATOM 1943 O HIS A 119 -4.275 7.977 2.912 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.079 8.259 5.450 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.233 8.077 6.680 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -5.007 6.847 7.264 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.562 8.977 7.440 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.233 7.001 8.324 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -3.950 8.282 8.451 1.00 0.00 N ATOM 0 H HIS A 119 -6.767 8.784 2.822 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.337 10.232 4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.084 8.549 5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.165 7.300 4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.518 10.044 7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.890 6.211 8.976 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.369 8.690 9.183 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.141 9.269 4.374 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.804 8.842 3.975 1.00 0.00 C ATOM 1960 C LEU A 120 -0.897 8.760 5.202 1.00 0.00 C ATOM 1961 O LEU A 120 -1.016 9.565 6.124 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.225 9.806 2.932 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.620 9.512 1.490 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.262 10.683 0.602 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.905 8.269 0.994 1.00 0.00 C ATOM 0 H LEU A 120 -3.140 9.977 5.109 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.867 7.852 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.543 10.819 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.138 9.786 3.006 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.697 9.347 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.549 10.461 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.791 11.573 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.187 10.860 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.195 8.069 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.173 8.425 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.178 7.419 1.619 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.017 7.768 5.218 1.00 0.00 N ATOM 1978 CA ARG A 121 0.855 7.515 6.365 1.00 0.00 C ATOM 1979 C ARG A 121 2.173 6.890 5.916 1.00 0.00 C ATOM 1980 O ARG A 121 2.187 6.044 5.027 1.00 0.00 O ATOM 1981 CB ARG A 121 0.139 6.597 7.364 1.00 0.00 C ATOM 1982 CG ARG A 121 -0.445 5.333 6.733 1.00 0.00 C ATOM 1983 CD ARG A 121 0.390 4.088 7.024 1.00 0.00 C ATOM 1984 NE ARG A 121 0.472 3.814 8.458 1.00 0.00 N ATOM 1985 CZ ARG A 121 1.579 3.918 9.185 1.00 0.00 C ATOM 1986 NH1 ARG A 121 2.705 4.350 8.635 1.00 0.00 N ATOM 1987 NH2 ARG A 121 1.553 3.603 10.473 1.00 0.00 N ATOM 0 H ARG A 121 0.115 7.118 4.443 1.00 0.00 H new ATOM 0 HA ARG A 121 1.082 8.464 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.841 6.310 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.664 7.156 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.458 5.181 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.519 5.472 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.047 3.230 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.394 4.221 6.621 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.382 3.522 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.725 4.605 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.551 4.427 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.685 3.282 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.401 3.682 11.034 1.00 0.00 H new ATOM 2001 N CYS A 122 3.272 7.287 6.538 1.00 0.00 N ATOM 2002 CA CYS A 122 4.586 6.830 6.109 1.00 0.00 C ATOM 2003 C CYS A 122 5.179 5.796 7.065 1.00 0.00 C ATOM 2004 O CYS A 122 5.214 5.986 8.283 1.00 0.00 O ATOM 2005 CB CYS A 122 5.537 8.016 5.952 1.00 0.00 C ATOM 2006 SG CYS A 122 5.723 9.029 7.437 1.00 0.00 S ATOM 0 H CYS A 122 3.282 7.921 7.337 1.00 0.00 H new ATOM 0 HA CYS A 122 4.459 6.342 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.518 7.643 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 122 5.179 8.648 5.139 1.00 0.00 H new ATOM 0 HG CYS A 122 5.603 8.279 8.492 1.00 0.00 H new ATOM 2012 N GLU A 123 5.622 4.691 6.491 1.00 0.00 N ATOM 2013 CA GLU A 123 6.322 3.648 7.220 1.00 0.00 C ATOM 2014 C GLU A 123 7.820 3.814 7.018 1.00 0.00 C ATOM 2015 O GLU A 123 8.247 4.452 6.058 1.00 0.00 O ATOM 2016 CB GLU A 123 5.869 2.279 6.716 1.00 0.00 C ATOM 2017 CG GLU A 123 4.415 1.982 7.030 1.00 0.00 C ATOM 2018 CD GLU A 123 4.243 1.250 8.345 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.439 1.875 9.408 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.905 0.049 8.325 1.00 0.00 O ATOM 0 H GLU A 123 5.505 4.491 5.498 1.00 0.00 H new ATOM 0 HA GLU A 123 6.094 3.724 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.020 2.227 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.496 1.508 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.855 2.917 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.988 1.383 6.226 1.00 0.00 H new ATOM 2027 N LYS A 124 8.613 3.246 7.909 1.00 0.00 N ATOM 2028 CA LYS A 124 10.054 3.418 7.851 1.00 0.00 C ATOM 2029 C LYS A 124 10.771 2.075 7.903 1.00 0.00 C ATOM 2030 O LYS A 124 10.492 1.238 8.763 1.00 0.00 O ATOM 2031 CB LYS A 124 10.512 4.303 9.003 1.00 0.00 C ATOM 2032 CG LYS A 124 12.015 4.536 9.040 1.00 0.00 C ATOM 2033 CD LYS A 124 12.452 5.112 10.358 1.00 0.00 C ATOM 2034 CE LYS A 124 12.293 4.082 11.451 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.031 4.455 12.685 1.00 0.00 N ATOM 0 H LYS A 124 8.285 2.663 8.679 1.00 0.00 H new ATOM 0 HA LYS A 124 10.306 3.896 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.006 5.266 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.201 3.848 9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.534 3.594 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.299 5.213 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.492 5.432 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.860 5.997 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.235 3.963 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.651 3.117 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.893 3.720 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.045 4.544 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.672 5.363 13.043 1.00 0.00 H new ATOM 2049 N LEU A 125 11.685 1.875 6.968 1.00 0.00 N ATOM 2050 CA LEU A 125 12.471 0.656 6.909 1.00 0.00 C ATOM 2051 C LEU A 125 13.956 0.995 7.016 1.00 0.00 C ATOM 2052 O LEU A 125 14.497 1.684 6.152 1.00 0.00 O ATOM 2053 CB LEU A 125 12.196 -0.052 5.585 1.00 0.00 C ATOM 2054 CG LEU A 125 10.712 -0.185 5.215 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.508 -0.074 3.710 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.162 -1.507 5.724 1.00 0.00 C ATOM 0 H LEU A 125 11.901 2.549 6.233 1.00 0.00 H new ATOM 0 HA LEU A 125 12.197 0.002 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.706 0.489 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.635 -1.049 5.625 1.00 0.00 H new ATOM 0 HG LEU A 125 10.170 0.633 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.447 -0.172 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.867 0.896 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.064 -0.866 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.109 -1.590 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.717 -2.330 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.265 -1.551 6.808 1.00 0.00 H new ATOM 2068 N THR A 126 14.607 0.529 8.071 1.00 0.00 N ATOM 2069 CA THR A 126 16.020 0.814 8.272 1.00 0.00 C ATOM 2070 C THR A 126 16.863 -0.407 7.936 1.00 0.00 C ATOM 2071 O THR A 126 16.659 -1.487 8.494 1.00 0.00 O ATOM 2072 CB THR A 126 16.315 1.232 9.721 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.170 1.893 10.285 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.508 2.169 9.766 1.00 0.00 C ATOM 0 H THR A 126 14.182 -0.046 8.799 1.00 0.00 H new ATOM 0 HA THR A 126 16.276 1.640 7.608 1.00 0.00 H new ATOM 0 HB THR A 126 16.540 0.337 10.300 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.366 2.155 11.209 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.706 2.457 10.798 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.383 1.664 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.294 3.060 9.176 1.00 0.00 H new ATOM 2082 N PHE A 127 17.797 -0.241 7.018 1.00 0.00 N ATOM 2083 CA PHE A 127 18.666 -1.333 6.620 1.00 0.00 C ATOM 2084 C PHE A 127 20.090 -1.056 7.059 1.00 0.00 C ATOM 2085 O PHE A 127 20.814 -0.287 6.419 1.00 0.00 O ATOM 2086 CB PHE A 127 18.591 -1.533 5.107 1.00 0.00 C ATOM 2087 CG PHE A 127 17.189 -1.763 4.631 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.628 -3.031 4.646 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.422 -0.699 4.193 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.325 -3.228 4.235 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.125 -0.890 3.776 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.572 -2.155 3.798 1.00 0.00 C ATOM 0 H PHE A 127 17.973 0.639 6.534 1.00 0.00 H new ATOM 0 HA PHE A 127 18.333 -2.250 7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 127 19.003 -0.657 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.212 -2.383 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.216 -3.872 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.846 0.294 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.895 -4.219 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.539 -0.051 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.553 -2.306 3.474 1.00 0.00 H new ATOM 2102 N ASN A 128 20.478 -1.673 8.166 1.00 0.00 N ATOM 2103 CA ASN A 128 21.796 -1.460 8.739 1.00 0.00 C ATOM 2104 C ASN A 128 22.863 -2.091 7.863 1.00 0.00 C ATOM 2105 O ASN A 128 22.881 -3.308 7.675 1.00 0.00 O ATOM 2106 CB ASN A 128 21.873 -2.037 10.153 1.00 0.00 C ATOM 2107 CG ASN A 128 20.931 -1.346 11.123 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.298 -0.370 11.775 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.710 -1.847 11.227 1.00 0.00 N ATOM 0 H ASN A 128 19.894 -2.328 8.686 1.00 0.00 H new ATOM 0 HA ASN A 128 21.972 -0.386 8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.637 -3.101 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.895 -1.949 10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.037 -1.422 11.865 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.442 -2.658 10.669 1.00 0.00 H new ATOM 2116 N ASN A 129 23.739 -1.245 7.332 1.00 0.00 N ATOM 2117 CA ASN A 129 24.869 -1.678 6.512 1.00 0.00 C ATOM 2118 C ASN A 129 24.427 -2.580 5.359 1.00 0.00 C ATOM 2119 O ASN A 129 24.627 -3.796 5.392 1.00 0.00 O ATOM 2120 CB ASN A 129 25.923 -2.386 7.370 1.00 0.00 C ATOM 2121 CG ASN A 129 26.409 -1.510 8.507 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.256 -0.640 8.312 1.00 0.00 O ATOM 2123 ND2 ASN A 129 25.901 -1.754 9.706 1.00 0.00 N ATOM 0 H ASN A 129 23.687 -0.234 7.458 1.00 0.00 H new ATOM 0 HA ASN A 129 25.313 -0.782 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.502 -3.306 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.769 -2.671 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 129 26.211 -1.210 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 129 25.200 -2.485 9.824 1.00 0.00 H new ATOM 2130 N PRO A 130 23.806 -1.995 4.324 1.00 0.00 N ATOM 2131 CA PRO A 130 23.415 -2.725 3.130 1.00 0.00 C ATOM 2132 C PRO A 130 24.547 -2.769 2.106 1.00 0.00 C ATOM 2133 O PRO A 130 25.462 -1.941 2.140 1.00 0.00 O ATOM 2134 CB PRO A 130 22.238 -1.903 2.611 1.00 0.00 C ATOM 2135 CG PRO A 130 22.534 -0.498 3.022 1.00 0.00 C ATOM 2136 CD PRO A 130 23.439 -0.571 4.231 1.00 0.00 C ATOM 0 HA PRO A 130 23.168 -3.769 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.146 -1.986 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.297 -2.249 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 130 23.017 0.047 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.614 0.036 3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.319 0.060 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.928 -0.232 5.132 1.00 0.00 H new ATOM 2144 N THR A 131 24.487 -3.740 1.207 1.00 0.00 N ATOM 2145 CA THR A 131 25.499 -3.878 0.169 1.00 0.00 C ATOM 2146 C THR A 131 25.381 -2.728 -0.836 1.00 0.00 C ATOM 2147 O THR A 131 24.347 -2.055 -0.880 1.00 0.00 O ATOM 2148 CB THR A 131 25.388 -5.239 -0.564 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.439 -5.377 -1.526 1.00 0.00 O ATOM 2150 CG2 THR A 131 24.042 -5.378 -1.257 1.00 0.00 C ATOM 0 H THR A 131 23.749 -4.444 1.175 1.00 0.00 H new ATOM 0 HA THR A 131 26.476 -3.840 0.651 1.00 0.00 H new ATOM 0 HB THR A 131 25.479 -6.027 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.356 -6.242 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.991 -6.342 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.244 -5.314 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.925 -4.578 -1.988 1.00 0.00 H new ATOM 2158 N GLU A 132 26.427 -2.509 -1.632 1.00 0.00 N ATOM 2159 CA GLU A 132 26.485 -1.362 -2.553 1.00 0.00 C ATOM 2160 C GLU A 132 25.224 -1.280 -3.412 1.00 0.00 C ATOM 2161 O GLU A 132 24.645 -0.211 -3.559 1.00 0.00 O ATOM 2162 CB GLU A 132 27.693 -1.462 -3.483 1.00 0.00 C ATOM 2163 CG GLU A 132 27.992 -0.174 -4.232 1.00 0.00 C ATOM 2164 CD GLU A 132 28.605 0.880 -3.339 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.860 1.573 -2.617 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.846 1.015 -3.352 1.00 0.00 O ATOM 0 H GLU A 132 27.251 -3.110 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 132 26.569 -0.467 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.569 -1.744 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.520 -2.261 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.670 -0.386 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.071 0.213 -4.667 1.00 0.00 H new ATOM 2173 N ASP A 133 24.797 -2.418 -3.964 1.00 0.00 N ATOM 2174 CA ASP A 133 23.650 -2.445 -4.876 1.00 0.00 C ATOM 2175 C ASP A 133 22.401 -1.904 -4.193 1.00 0.00 C ATOM 2176 O ASP A 133 21.653 -1.116 -4.773 1.00 0.00 O ATOM 2177 CB ASP A 133 23.361 -3.862 -5.379 1.00 0.00 C ATOM 2178 CG ASP A 133 24.556 -4.514 -6.039 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.407 -5.073 -5.318 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.653 -4.474 -7.281 1.00 0.00 O ATOM 0 H ASP A 133 25.225 -3.329 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 133 23.909 -1.813 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.035 -4.479 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.535 -3.827 -6.090 1.00 0.00 H new ATOM 2185 N PHE A 134 22.169 -2.340 -2.961 1.00 0.00 N ATOM 2186 CA PHE A 134 20.995 -1.910 -2.218 1.00 0.00 C ATOM 2187 C PHE A 134 21.155 -0.455 -1.807 1.00 0.00 C ATOM 2188 O PHE A 134 20.272 0.369 -2.039 1.00 0.00 O ATOM 2189 CB PHE A 134 20.770 -2.782 -0.982 1.00 0.00 C ATOM 2190 CG PHE A 134 19.350 -2.707 -0.496 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.303 -2.672 -1.406 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.055 -2.649 0.855 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.003 -2.581 -0.983 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.746 -2.562 1.284 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.720 -2.527 0.360 1.00 0.00 C ATOM 0 H PHE A 134 22.776 -2.988 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 134 20.124 -2.014 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.019 -3.817 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.444 -2.465 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.516 -2.717 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.856 -2.672 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.201 -2.552 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.524 -2.521 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.695 -2.457 0.693 1.00 0.00 H new ATOM 2205 N ARG A 135 22.304 -0.168 -1.206 1.00 0.00 N ATOM 2206 CA ARG A 135 22.710 1.189 -0.858 1.00 0.00 C ATOM 2207 C ARG A 135 22.470 2.151 -2.020 1.00 0.00 C ATOM 2208 O ARG A 135 21.874 3.211 -1.850 1.00 0.00 O ATOM 2209 CB ARG A 135 24.176 1.158 -0.469 1.00 0.00 C ATOM 2210 CG ARG A 135 24.878 2.500 -0.584 1.00 0.00 C ATOM 2211 CD ARG A 135 25.411 2.953 0.763 1.00 0.00 C ATOM 2212 NE ARG A 135 26.017 1.846 1.500 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.116 1.790 2.825 1.00 0.00 C ATOM 2214 NH1 ARG A 135 25.647 2.779 3.576 1.00 0.00 N ATOM 2215 NH2 ARG A 135 26.687 0.738 3.400 1.00 0.00 N ATOM 0 H ARG A 135 22.987 -0.878 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 135 22.112 1.551 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.261 0.803 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.693 0.435 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.699 2.425 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.184 3.245 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.149 3.741 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 135 24.599 3.382 1.351 1.00 0.00 H new ATOM 0 HE ARG A 135 26.389 1.064 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 135 25.207 3.588 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 135 25.726 2.730 4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 135 27.048 -0.024 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 135 26.765 0.692 4.416 1.00 0.00 H new ATOM 2229 N ARG A 136 22.904 1.730 -3.195 1.00 0.00 N ATOM 2230 CA ARG A 136 22.775 2.497 -4.419 1.00 0.00 C ATOM 2231 C ARG A 136 21.337 2.922 -4.661 1.00 0.00 C ATOM 2232 O ARG A 136 21.047 4.099 -4.884 1.00 0.00 O ATOM 2233 CB ARG A 136 23.210 1.631 -5.566 1.00 0.00 C ATOM 2234 CG ARG A 136 24.221 2.249 -6.503 1.00 0.00 C ATOM 2235 CD ARG A 136 24.447 1.336 -7.692 1.00 0.00 C ATOM 2236 NE ARG A 136 23.273 1.293 -8.565 1.00 0.00 N ATOM 2237 CZ ARG A 136 23.312 0.996 -9.863 1.00 0.00 C ATOM 2238 NH1 ARG A 136 24.453 0.645 -10.441 1.00 0.00 N ATOM 2239 NH2 ARG A 136 22.199 1.037 -10.577 1.00 0.00 N ATOM 0 H ARG A 136 23.364 0.829 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 136 23.391 3.392 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.630 0.709 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.328 1.354 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.868 3.222 -6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.161 2.417 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.311 1.682 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 136 24.678 0.330 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 136 22.365 1.505 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.311 0.601 -9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 136 24.473 0.419 -11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 136 21.318 1.295 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 136 22.222 0.811 -11.571 1.00 0.00 H new ATOM 2253 N LYS A 137 20.441 1.946 -4.623 1.00 0.00 N ATOM 2254 CA LYS A 137 19.043 2.191 -4.923 1.00 0.00 C ATOM 2255 C LYS A 137 18.428 3.109 -3.881 1.00 0.00 C ATOM 2256 O LYS A 137 17.765 4.096 -4.208 1.00 0.00 O ATOM 2257 CB LYS A 137 18.262 0.883 -4.957 1.00 0.00 C ATOM 2258 CG LYS A 137 18.887 -0.192 -5.831 1.00 0.00 C ATOM 2259 CD LYS A 137 17.988 -1.412 -5.948 1.00 0.00 C ATOM 2260 CE LYS A 137 18.736 -2.610 -6.523 1.00 0.00 C ATOM 2261 NZ LYS A 137 19.707 -3.180 -5.555 1.00 0.00 N ATOM 0 H LYS A 137 20.660 0.978 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 137 18.991 2.667 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.170 0.501 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.252 1.085 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.082 0.213 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 137 19.849 -0.487 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.592 -1.668 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.135 -1.176 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 137 18.020 -3.379 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.262 -2.308 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.978 -4.137 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.553 -2.577 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 19.271 -3.226 -4.612 1.00 0.00 H new ATOM 2275 N LEU A 138 18.665 2.762 -2.626 1.00 0.00 N ATOM 2276 CA LEU A 138 18.147 3.516 -1.488 1.00 0.00 C ATOM 2277 C LEU A 138 18.592 4.981 -1.539 1.00 0.00 C ATOM 2278 O LEU A 138 17.829 5.886 -1.197 1.00 0.00 O ATOM 2279 CB LEU A 138 18.612 2.886 -0.173 1.00 0.00 C ATOM 2280 CG LEU A 138 18.369 1.380 -0.024 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.625 0.938 1.408 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.966 1.003 -0.453 1.00 0.00 C ATOM 0 H LEU A 138 19.222 1.949 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 138 17.059 3.484 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.680 3.074 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.111 3.397 0.649 1.00 0.00 H new ATOM 0 HG LEU A 138 19.069 0.863 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.448 -0.134 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.658 1.158 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.953 1.473 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.826 -0.072 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.242 1.533 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.820 1.276 -1.498 1.00 0.00 H new ATOM 2294 N LEU A 139 19.831 5.203 -1.965 1.00 0.00 N ATOM 2295 CA LEU A 139 20.393 6.547 -2.068 1.00 0.00 C ATOM 2296 C LEU A 139 19.808 7.318 -3.251 1.00 0.00 C ATOM 2297 O LEU A 139 19.651 8.539 -3.192 1.00 0.00 O ATOM 2298 CB LEU A 139 21.916 6.463 -2.194 1.00 0.00 C ATOM 2299 CG LEU A 139 22.623 5.868 -0.977 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.112 5.704 -1.233 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.371 6.731 0.241 1.00 0.00 C ATOM 0 H LEU A 139 20.472 4.461 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 139 20.130 7.091 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.162 5.863 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.308 7.464 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 139 22.214 4.875 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.588 5.279 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.264 5.039 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.553 6.677 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.878 6.300 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.753 7.736 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.300 6.780 0.437 1.00 0.00 H new ATOM 2313 N LYS A 140 19.487 6.604 -4.322 1.00 0.00 N ATOM 2314 CA LYS A 140 18.909 7.221 -5.511 1.00 0.00 C ATOM 2315 C LYS A 140 17.465 7.630 -5.281 1.00 0.00 C ATOM 2316 O LYS A 140 16.950 8.520 -5.957 1.00 0.00 O ATOM 2317 CB LYS A 140 18.970 6.270 -6.695 1.00 0.00 C ATOM 2318 CG LYS A 140 19.912 6.723 -7.790 1.00 0.00 C ATOM 2319 CD LYS A 140 20.163 5.614 -8.791 1.00 0.00 C ATOM 2320 CE LYS A 140 21.143 4.594 -8.257 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.518 5.149 -8.115 1.00 0.00 N ATOM 0 H LYS A 140 19.617 5.595 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 140 19.498 8.113 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.281 5.286 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 140 17.969 6.158 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.490 7.589 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 140 20.858 7.041 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.221 5.122 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.548 6.040 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 140 20.797 4.234 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.168 3.734 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.208 4.468 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.588 6.042 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.719 5.325 -7.110 1.00 0.00 H new ATOM 2335 N ALA A 141 16.822 6.947 -4.347 1.00 0.00 N ATOM 2336 CA ALA A 141 15.423 7.182 -4.006 1.00 0.00 C ATOM 2337 C ALA A 141 15.110 8.662 -3.829 1.00 0.00 C ATOM 2338 O ALA A 141 14.334 9.211 -4.640 1.00 0.00 O ATOM 2339 CB ALA A 141 15.075 6.427 -2.743 1.00 0.00 C ATOM 2340 OXT ALA A 141 15.653 9.275 -2.886 1.00 0.00 O ATOM 0 H ALA A 141 17.258 6.207 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 141 14.817 6.821 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.030 6.604 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.235 5.360 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.709 6.772 -1.926 1.00 0.00 H new ATOM 2385 N ALA B 215 -17.690 3.375 8.848 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.736 2.592 8.200 1.00 0.00 C ATOM 2387 C ALA B 215 -18.615 1.124 8.592 1.00 0.00 C ATOM 2388 O ALA B 215 -17.558 0.693 9.059 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.640 2.751 6.686 1.00 0.00 C ATOM 0 HA ALA B 215 -19.709 2.956 8.530 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.424 2.164 6.208 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.762 3.802 6.422 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.666 2.402 6.345 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.692 0.335 8.424 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.671 -1.098 8.727 1.00 0.00 C ATOM 2397 C PRO B 216 -18.562 -1.809 7.958 1.00 0.00 C ATOM 2398 O PRO B 216 -18.176 -1.381 6.870 1.00 0.00 O ATOM 2399 CB PRO B 216 -21.055 -1.598 8.292 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.632 -0.510 7.450 1.00 0.00 C ATOM 2401 CD PRO B 216 -21.003 0.771 7.919 1.00 0.00 C ATOM 0 HA PRO B 216 -19.471 -1.295 9.780 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.976 -2.528 7.729 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.687 -1.801 9.156 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.420 -0.682 6.395 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.716 -0.471 7.556 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.903 1.491 7.107 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.596 1.249 8.698 1.00 0.00 H new ATOM 2409 N ARG B 217 -18.039 -2.884 8.520 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.885 -3.538 7.932 1.00 0.00 C ATOM 2411 C ARG B 217 -17.000 -5.054 8.033 1.00 0.00 C ATOM 2412 O ARG B 217 -17.587 -5.582 8.976 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.603 -3.039 8.610 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.375 -3.576 10.013 1.00 0.00 C ATOM 2415 CD ARG B 217 -14.187 -2.896 10.678 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.009 -2.847 9.807 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.792 -2.495 10.227 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.568 -2.278 11.517 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -10.797 -2.374 9.355 1.00 0.00 N ATOM 0 H ARG B 217 -18.390 -3.318 9.373 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.844 -3.284 6.873 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -14.750 -3.312 7.989 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -15.631 -1.950 8.653 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -16.270 -3.419 10.615 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -15.204 -4.652 9.970 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -14.466 -1.882 10.964 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -13.935 -3.428 11.595 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.126 -3.096 8.825 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -12.327 -2.380 12.191 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.637 -2.009 11.835 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -10.963 -2.550 8.364 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -9.867 -2.105 9.676 1.00 0.00 H new