USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.972 K(o=-0.97,f=0.2) USER MOD Set 2.1: A 29 MET CE :methyl -139:sc= -1.78 (180deg=-2.7!) USER MOD Set 2.2: A 70 SER OG : rot 105:sc= 1.3 USER MOD Single : A 1 MET CE :methyl -145:sc= -4.04 (180deg=-7.18!) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.226 (180deg=-2.36!) USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= 1.19 (180deg=-0.0293) USER MOD Single : A 7 ASN : amide:sc= 0.145 X(o=0.14,f=-0.063) USER MOD Single : A 8 CYS SG : rot 79:sc= 0.73 USER MOD Single : A 11 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.0096) USER MOD Single : A 12 HIS : no HE2:sc= -2.9 K(o=-2.9,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= -3.29! (180deg=-6.86!) USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= 0.202 (180deg=-0.55) USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.161 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 160:sc= -0.0944 (180deg=-0.558) USER MOD Single : A 28 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.44) USER MOD Single : A 31 SER OG : rot -76:sc= -0.15 USER MOD Single : A 36 THR OG1 : rot 100:sc= 1.33 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 138:sc= 1.27 (180deg=-0.0505) USER MOD Single : A 45 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.27) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 49 GLN : amide:sc= -4.62! K(o=-4.6!,f=-0.41) USER MOD Single : A 50 GLN : amide:sc= -2.12! K(o=-2.1!,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 138:sc= -0.228 (180deg=-2.86!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -161:sc= -9.21! (180deg=-10.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= 1.1 (180deg=0.554) USER MOD Single : A 65 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.6) USER MOD Single : A 67 SER OG : rot -150:sc= 0.0214 USER MOD Single : A 68 TYR OH : rot 134:sc= -4.35! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.181 -7.821 -9.511 1.00 0.00 N ATOM 62 CA MET A 1 5.221 -6.484 -10.046 1.00 0.00 C ATOM 63 C MET A 1 6.230 -6.409 -11.176 1.00 0.00 C ATOM 64 O MET A 1 7.400 -6.769 -11.015 1.00 0.00 O ATOM 65 CB MET A 1 5.567 -5.470 -8.961 1.00 0.00 C ATOM 66 CG MET A 1 5.343 -4.033 -9.393 1.00 0.00 C ATOM 67 SD MET A 1 5.434 -2.884 -8.014 1.00 0.00 S ATOM 68 CE MET A 1 4.271 -3.651 -6.891 1.00 0.00 C ATOM 0 H1 MET A 1 4.197 -8.158 -9.491 1.00 0.00 H new ATOM 0 H2 MET A 1 5.751 -8.452 -10.110 1.00 0.00 H new ATOM 0 H3 MET A 1 5.566 -7.820 -8.545 1.00 0.00 H new ATOM 0 HA MET A 1 4.232 -6.239 -10.433 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.965 -5.675 -8.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.610 -5.598 -8.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.088 -3.760 -10.140 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.367 -3.947 -9.870 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.738 -2.879 -6.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.557 -4.249 -7.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.808 -4.293 -6.193 1.00 0.00 H new ATOM 78 N ASP A 2 5.753 -5.964 -12.317 1.00 0.00 N ATOM 79 CA ASP A 2 6.573 -5.852 -13.510 1.00 0.00 C ATOM 80 C ASP A 2 7.634 -4.777 -13.340 1.00 0.00 C ATOM 81 O ASP A 2 7.374 -3.724 -12.769 1.00 0.00 O ATOM 82 CB ASP A 2 5.695 -5.544 -14.720 1.00 0.00 C ATOM 83 CG ASP A 2 6.497 -5.458 -15.999 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.050 -6.488 -16.432 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.597 -4.347 -16.560 1.00 0.00 O ATOM 0 H ASP A 2 4.786 -5.669 -12.448 1.00 0.00 H new ATOM 0 HA ASP A 2 7.079 -6.804 -13.671 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.934 -6.318 -14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.172 -4.602 -14.557 1.00 0.00 H new ATOM 90 N ALA A 3 8.828 -5.070 -13.826 1.00 0.00 N ATOM 91 CA ALA A 3 9.952 -4.155 -13.731 1.00 0.00 C ATOM 92 C ALA A 3 9.656 -2.857 -14.460 1.00 0.00 C ATOM 93 O ALA A 3 9.867 -1.776 -13.924 1.00 0.00 O ATOM 94 CB ALA A 3 11.209 -4.803 -14.288 1.00 0.00 C ATOM 0 H ALA A 3 9.045 -5.948 -14.297 1.00 0.00 H new ATOM 0 HA ALA A 3 10.116 -3.923 -12.679 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.043 -4.106 -14.210 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.436 -5.705 -13.719 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.051 -5.064 -15.334 1.00 0.00 H new ATOM 100 N LYS A 4 9.143 -2.968 -15.678 1.00 0.00 N ATOM 101 CA LYS A 4 8.802 -1.789 -16.468 1.00 0.00 C ATOM 102 C LYS A 4 7.712 -0.994 -15.759 1.00 0.00 C ATOM 103 O LYS A 4 7.734 0.235 -15.756 1.00 0.00 O ATOM 104 CB LYS A 4 8.343 -2.185 -17.875 1.00 0.00 C ATOM 105 CG LYS A 4 8.047 -1.004 -18.788 1.00 0.00 C ATOM 106 CD LYS A 4 9.307 -0.224 -19.124 1.00 0.00 C ATOM 107 CE LYS A 4 9.008 0.955 -20.034 1.00 0.00 C ATOM 108 NZ LYS A 4 8.386 0.534 -21.319 1.00 0.00 N ATOM 0 H LYS A 4 8.954 -3.857 -16.140 1.00 0.00 H new ATOM 0 HA LYS A 4 9.692 -1.168 -16.568 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.113 -2.803 -18.336 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.447 -2.801 -17.793 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.584 -1.362 -19.708 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.327 -0.343 -18.306 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.770 0.134 -18.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.027 -0.885 -19.608 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.341 1.648 -19.520 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.932 1.495 -20.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.853 1.025 -22.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.495 -0.493 -21.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.375 0.776 -21.311 1.00 0.00 H new ATOM 122 N ALA A 5 6.780 -1.709 -15.140 1.00 0.00 N ATOM 123 CA ALA A 5 5.690 -1.090 -14.403 1.00 0.00 C ATOM 124 C ALA A 5 6.214 -0.403 -13.150 1.00 0.00 C ATOM 125 O ALA A 5 6.082 0.811 -12.988 1.00 0.00 O ATOM 126 CB ALA A 5 4.679 -2.167 -14.020 1.00 0.00 C ATOM 0 H ALA A 5 6.760 -2.729 -15.136 1.00 0.00 H new ATOM 0 HA ALA A 5 5.213 -0.338 -15.031 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.857 -1.714 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.292 -2.640 -14.922 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.165 -2.918 -13.397 1.00 0.00 H new ATOM 132 N ARG A 6 6.806 -1.194 -12.267 1.00 0.00 N ATOM 133 CA ARG A 6 7.342 -0.691 -11.005 1.00 0.00 C ATOM 134 C ARG A 6 8.331 0.458 -11.221 1.00 0.00 C ATOM 135 O ARG A 6 8.411 1.385 -10.417 1.00 0.00 O ATOM 136 CB ARG A 6 8.008 -1.836 -10.248 1.00 0.00 C ATOM 137 CG ARG A 6 8.475 -1.457 -8.854 1.00 0.00 C ATOM 138 CD ARG A 6 9.955 -1.719 -8.682 1.00 0.00 C ATOM 139 NE ARG A 6 10.222 -2.835 -7.775 1.00 0.00 N ATOM 140 CZ ARG A 6 11.437 -3.236 -7.418 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.517 -2.575 -7.827 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.560 -4.290 -6.625 1.00 0.00 N ATOM 0 H ARG A 6 6.929 -2.198 -12.401 1.00 0.00 H new ATOM 0 HA ARG A 6 6.515 -0.293 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.306 -2.667 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.863 -2.192 -10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.266 -0.403 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.914 -2.026 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.399 -1.931 -9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.438 -0.820 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 6 9.422 -3.339 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.417 -1.752 -8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.445 -2.892 -7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.728 -4.781 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.486 -4.610 -6.342 1.00 0.00 H new ATOM 156 N ASN A 7 9.073 0.402 -12.314 1.00 0.00 N ATOM 157 CA ASN A 7 10.042 1.438 -12.625 1.00 0.00 C ATOM 158 C ASN A 7 9.361 2.702 -13.074 1.00 0.00 C ATOM 159 O ASN A 7 9.666 3.752 -12.559 1.00 0.00 O ATOM 160 CB ASN A 7 11.043 0.991 -13.692 1.00 0.00 C ATOM 161 CG ASN A 7 12.256 0.286 -13.121 1.00 0.00 C ATOM 162 OD1 ASN A 7 12.962 0.824 -12.269 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.512 -0.921 -13.593 1.00 0.00 N ATOM 0 H ASN A 7 9.023 -0.350 -13.001 1.00 0.00 H new ATOM 0 HA ASN A 7 10.591 1.633 -11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.541 0.325 -14.394 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.372 1.862 -14.259 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.320 -1.442 -13.251 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.902 -1.332 -14.299 1.00 0.00 H new ATOM 170 N CYS A 8 8.435 2.614 -14.012 1.00 0.00 N ATOM 171 CA CYS A 8 7.727 3.805 -14.484 1.00 0.00 C ATOM 172 C CYS A 8 7.145 4.585 -13.307 1.00 0.00 C ATOM 173 O CYS A 8 6.981 5.802 -13.368 1.00 0.00 O ATOM 174 CB CYS A 8 6.624 3.396 -15.472 1.00 0.00 C ATOM 175 SG CYS A 8 7.228 2.755 -17.058 1.00 0.00 S ATOM 0 H CYS A 8 8.153 1.743 -14.462 1.00 0.00 H new ATOM 0 HA CYS A 8 8.432 4.457 -15.000 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.998 2.637 -15.003 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.988 4.260 -15.663 1.00 0.00 H new ATOM 0 HG CYS A 8 7.601 1.518 -16.912 1.00 0.00 H new ATOM 181 N LEU A 9 6.880 3.878 -12.229 1.00 0.00 N ATOM 182 CA LEU A 9 6.362 4.484 -11.030 1.00 0.00 C ATOM 183 C LEU A 9 7.460 5.152 -10.212 1.00 0.00 C ATOM 184 O LEU A 9 7.381 6.341 -9.918 1.00 0.00 O ATOM 185 CB LEU A 9 5.667 3.423 -10.182 1.00 0.00 C ATOM 186 CG LEU A 9 5.625 3.707 -8.679 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.666 4.852 -8.368 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.233 2.454 -7.906 1.00 0.00 C ATOM 0 H LEU A 9 7.019 2.870 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 9 5.651 5.255 -11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.644 3.308 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.170 2.469 -10.340 1.00 0.00 H new ATOM 0 HG LEU A 9 6.624 4.007 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.654 5.035 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.995 5.753 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.663 4.587 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.209 2.677 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.247 2.121 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.962 1.666 -8.096 1.00 0.00 H new ATOM 200 N LEU A 10 8.462 4.379 -9.817 1.00 0.00 N ATOM 201 CA LEU A 10 9.542 4.904 -8.983 1.00 0.00 C ATOM 202 C LEU A 10 10.526 5.781 -9.771 1.00 0.00 C ATOM 203 O LEU A 10 11.024 6.786 -9.262 1.00 0.00 O ATOM 204 CB LEU A 10 10.295 3.733 -8.364 1.00 0.00 C ATOM 205 CG LEU A 10 9.482 2.827 -7.446 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.275 1.580 -7.100 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.089 3.566 -6.189 1.00 0.00 C ATOM 0 H LEU A 10 8.553 3.392 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 10 9.093 5.535 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.707 3.125 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.139 4.128 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 10 8.574 2.528 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.682 0.942 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.516 1.037 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.197 1.864 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.509 2.905 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.986 3.891 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.487 4.436 -6.452 1.00 0.00 H new ATOM 219 N GLN A 11 10.808 5.389 -11.006 1.00 0.00 N ATOM 220 CA GLN A 11 11.734 6.115 -11.881 1.00 0.00 C ATOM 221 C GLN A 11 11.259 7.545 -12.104 1.00 0.00 C ATOM 222 O GLN A 11 12.072 8.469 -12.207 1.00 0.00 O ATOM 223 CB GLN A 11 11.841 5.376 -13.208 1.00 0.00 C ATOM 224 CG GLN A 11 12.883 5.909 -14.178 1.00 0.00 C ATOM 225 CD GLN A 11 12.864 5.137 -15.485 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.709 5.338 -16.359 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.884 4.250 -15.621 1.00 0.00 N ATOM 0 H GLN A 11 10.403 4.557 -11.435 1.00 0.00 H new ATOM 0 HA GLN A 11 12.715 6.162 -11.408 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.065 4.329 -13.003 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.868 5.404 -13.698 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.695 6.965 -14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.873 5.840 -13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.207 4.118 -14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.809 3.701 -16.477 1.00 0.00 H new ATOM 236 N HIS A 12 9.944 7.744 -12.120 1.00 0.00 N ATOM 237 CA HIS A 12 9.389 9.067 -12.270 1.00 0.00 C ATOM 238 C HIS A 12 9.388 9.757 -10.931 1.00 0.00 C ATOM 239 O HIS A 12 8.445 10.446 -10.555 1.00 0.00 O ATOM 240 CB HIS A 12 7.998 9.023 -12.895 1.00 0.00 C ATOM 241 CG HIS A 12 8.048 8.941 -14.388 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.658 9.895 -15.173 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.583 8.002 -15.245 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.569 9.542 -16.438 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.920 8.399 -16.506 1.00 0.00 N ATOM 0 H HIS A 12 9.251 7.001 -12.030 1.00 0.00 H new ATOM 0 HA HIS A 12 10.010 9.642 -12.957 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.454 8.163 -12.504 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.442 9.913 -12.601 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.108 10.743 -14.828 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.045 7.104 -14.980 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.962 10.096 -17.278 1.00 0.00 H new ATOM 254 N ARG A 13 10.515 9.595 -10.244 1.00 0.00 N ATOM 255 CA ARG A 13 10.758 10.219 -8.955 1.00 0.00 C ATOM 256 C ARG A 13 10.792 11.727 -9.142 1.00 0.00 C ATOM 257 O ARG A 13 10.832 12.494 -8.183 1.00 0.00 O ATOM 258 CB ARG A 13 12.061 9.700 -8.320 1.00 0.00 C ATOM 259 CG ARG A 13 13.192 9.417 -9.308 1.00 0.00 C ATOM 260 CD ARG A 13 13.708 10.678 -9.971 1.00 0.00 C ATOM 261 NE ARG A 13 14.896 10.423 -10.785 1.00 0.00 N ATOM 262 CZ ARG A 13 15.629 11.372 -11.350 1.00 0.00 C ATOM 263 NH1 ARG A 13 15.328 12.647 -11.172 1.00 0.00 N ATOM 264 NH2 ARG A 13 16.665 11.046 -12.093 1.00 0.00 N ATOM 0 H ARG A 13 11.291 9.020 -10.573 1.00 0.00 H new ATOM 0 HA ARG A 13 9.952 9.960 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.410 10.432 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.841 8.785 -7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.011 8.923 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.838 8.726 -10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.924 11.105 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.944 11.419 -9.207 1.00 0.00 H new ATOM 0 HE ARG A 13 15.178 9.453 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.527 12.906 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.897 13.371 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.903 10.064 -12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.230 11.775 -12.528 1.00 0.00 H new ATOM 278 N GLU A 14 10.713 12.125 -10.409 1.00 0.00 N ATOM 279 CA GLU A 14 10.656 13.514 -10.792 1.00 0.00 C ATOM 280 C GLU A 14 9.394 14.090 -10.183 1.00 0.00 C ATOM 281 O GLU A 14 9.349 15.248 -9.783 1.00 0.00 O ATOM 282 CB GLU A 14 10.592 13.634 -12.318 1.00 0.00 C ATOM 283 CG GLU A 14 11.693 12.878 -13.048 1.00 0.00 C ATOM 284 CD GLU A 14 11.243 12.334 -14.393 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.018 12.264 -14.639 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.112 11.944 -15.196 1.00 0.00 O ATOM 0 H GLU A 14 10.687 11.479 -11.198 1.00 0.00 H new ATOM 0 HA GLU A 14 11.540 14.048 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.625 13.266 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.647 14.688 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.545 13.541 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.036 12.053 -12.424 1.00 0.00 H new ATOM 293 N ALA A 15 8.373 13.234 -10.098 1.00 0.00 N ATOM 294 CA ALA A 15 7.104 13.629 -9.523 1.00 0.00 C ATOM 295 C ALA A 15 6.644 12.647 -8.447 1.00 0.00 C ATOM 296 O ALA A 15 5.636 12.883 -7.796 1.00 0.00 O ATOM 297 CB ALA A 15 6.054 13.771 -10.610 1.00 0.00 C ATOM 0 H ALA A 15 8.409 12.267 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 15 7.241 14.597 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.105 14.068 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.371 14.529 -11.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.930 12.817 -11.123 1.00 0.00 H new ATOM 303 N LEU A 16 7.389 11.550 -8.264 1.00 0.00 N ATOM 304 CA LEU A 16 7.054 10.528 -7.248 1.00 0.00 C ATOM 305 C LEU A 16 6.780 11.166 -5.880 1.00 0.00 C ATOM 306 O LEU A 16 5.634 11.349 -5.491 1.00 0.00 O ATOM 307 CB LEU A 16 8.201 9.520 -7.120 1.00 0.00 C ATOM 308 CG LEU A 16 7.934 8.333 -6.189 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.926 7.037 -6.973 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.964 8.272 -5.076 1.00 0.00 C ATOM 0 H LEU A 16 8.229 11.342 -8.803 1.00 0.00 H new ATOM 0 HA LEU A 16 6.148 10.018 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.436 9.135 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.087 10.047 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 16 6.953 8.473 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.735 6.204 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.144 7.075 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.893 6.898 -7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.751 7.420 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.959 8.161 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.922 9.191 -4.491 1.00 0.00 H new ATOM 322 N GLU A 17 7.839 11.496 -5.161 1.00 0.00 N ATOM 323 CA GLU A 17 7.724 12.109 -3.838 1.00 0.00 C ATOM 324 C GLU A 17 6.883 13.395 -3.869 1.00 0.00 C ATOM 325 O GLU A 17 6.265 13.773 -2.870 1.00 0.00 O ATOM 326 CB GLU A 17 9.127 12.420 -3.313 1.00 0.00 C ATOM 327 CG GLU A 17 9.157 13.216 -2.024 1.00 0.00 C ATOM 328 CD GLU A 17 10.508 13.851 -1.779 1.00 0.00 C ATOM 329 OE1 GLU A 17 11.441 13.604 -2.571 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.644 14.612 -0.803 1.00 0.00 O ATOM 0 H GLU A 17 8.800 11.350 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 17 7.216 11.405 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.659 11.481 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.673 12.972 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.393 13.993 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.907 12.562 -1.189 1.00 0.00 H new ATOM 337 N LYS A 18 6.896 14.076 -5.006 1.00 0.00 N ATOM 338 CA LYS A 18 6.179 15.335 -5.160 1.00 0.00 C ATOM 339 C LYS A 18 4.653 15.178 -5.246 1.00 0.00 C ATOM 340 O LYS A 18 3.922 16.007 -4.702 1.00 0.00 O ATOM 341 CB LYS A 18 6.699 16.082 -6.391 1.00 0.00 C ATOM 342 CG LYS A 18 6.120 17.482 -6.562 1.00 0.00 C ATOM 343 CD LYS A 18 6.735 18.507 -5.609 1.00 0.00 C ATOM 344 CE LYS A 18 5.991 18.593 -4.277 1.00 0.00 C ATOM 345 NZ LYS A 18 6.591 17.725 -3.228 1.00 0.00 N ATOM 0 H LYS A 18 7.399 13.776 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 18 6.373 15.909 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.785 16.155 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.472 15.495 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.277 17.810 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.043 17.445 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.776 18.245 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.733 19.487 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.991 19.627 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.950 18.307 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.880 17.044 -2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.403 17.211 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.909 18.313 -2.431 1.00 0.00 H new ATOM 359 N ASP A 19 4.156 14.171 -5.950 1.00 0.00 N ATOM 360 CA ASP A 19 2.708 14.035 -6.094 1.00 0.00 C ATOM 361 C ASP A 19 2.144 12.732 -5.526 1.00 0.00 C ATOM 362 O ASP A 19 0.935 12.624 -5.329 1.00 0.00 O ATOM 363 CB ASP A 19 2.310 14.194 -7.557 1.00 0.00 C ATOM 364 CG ASP A 19 0.863 14.608 -7.701 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.443 15.555 -7.001 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.147 14.015 -8.532 1.00 0.00 O ATOM 0 H ASP A 19 4.711 13.455 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 19 2.268 14.834 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.950 14.939 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.473 13.253 -8.083 1.00 0.00 H new ATOM 371 N ILE A 20 2.989 11.752 -5.243 1.00 0.00 N ATOM 372 CA ILE A 20 2.497 10.501 -4.673 1.00 0.00 C ATOM 373 C ILE A 20 2.039 10.732 -3.232 1.00 0.00 C ATOM 374 O ILE A 20 2.855 10.887 -2.318 1.00 0.00 O ATOM 375 CB ILE A 20 3.555 9.369 -4.711 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.856 8.930 -6.143 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.109 8.159 -3.911 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.690 7.669 -6.193 1.00 0.00 C ATOM 0 H ILE A 20 3.997 11.793 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 20 1.657 10.177 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 20 4.460 9.780 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.919 8.765 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.381 9.731 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.876 7.387 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.952 8.448 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.178 7.772 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.877 7.398 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.640 7.840 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.155 6.859 -5.697 1.00 0.00 H new ATOM 390 N LYS A 21 0.728 10.776 -3.034 1.00 0.00 N ATOM 391 CA LYS A 21 0.177 10.995 -1.705 1.00 0.00 C ATOM 392 C LYS A 21 -0.103 9.672 -1.015 1.00 0.00 C ATOM 393 O LYS A 21 -0.042 8.612 -1.631 1.00 0.00 O ATOM 394 CB LYS A 21 -1.088 11.851 -1.750 1.00 0.00 C ATOM 395 CG LYS A 21 -0.810 13.340 -1.611 1.00 0.00 C ATOM 396 CD LYS A 21 -0.399 13.964 -2.931 1.00 0.00 C ATOM 397 CE LYS A 21 -0.296 15.478 -2.836 1.00 0.00 C ATOM 398 NZ LYS A 21 0.012 16.099 -4.155 1.00 0.00 N ATOM 0 H LYS A 21 0.032 10.664 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 21 0.925 11.540 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.607 11.671 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.760 11.537 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.701 13.842 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.021 13.495 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.562 13.554 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.124 13.697 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.234 15.882 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.481 15.745 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.926 16.592 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.060 15.359 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.735 16.780 -4.401 1.00 0.00 H new ATOM 412 N THR A 22 -0.347 9.738 0.279 1.00 0.00 N ATOM 413 CA THR A 22 -0.580 8.549 1.066 1.00 0.00 C ATOM 414 C THR A 22 -1.916 8.566 1.808 1.00 0.00 C ATOM 415 O THR A 22 -2.327 7.554 2.358 1.00 0.00 O ATOM 416 CB THR A 22 0.568 8.387 2.074 1.00 0.00 C ATOM 417 OG1 THR A 22 0.527 7.094 2.677 1.00 0.00 O ATOM 418 CG2 THR A 22 0.492 9.449 3.155 1.00 0.00 C ATOM 0 H THR A 22 -0.389 10.609 0.808 1.00 0.00 H new ATOM 0 HA THR A 22 -0.620 7.706 0.376 1.00 0.00 H new ATOM 0 HB THR A 22 1.506 8.501 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.392 6.755 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.315 9.314 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.562 10.437 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.456 9.360 3.686 1.00 0.00 H new ATOM 426 N SER A 23 -2.568 9.720 1.857 1.00 0.00 N ATOM 427 CA SER A 23 -3.832 9.849 2.579 1.00 0.00 C ATOM 428 C SER A 23 -4.961 9.005 1.967 1.00 0.00 C ATOM 429 O SER A 23 -5.137 7.833 2.315 1.00 0.00 O ATOM 430 CB SER A 23 -4.247 11.318 2.635 1.00 0.00 C ATOM 431 OG SER A 23 -3.258 12.109 3.289 1.00 0.00 O ATOM 0 H SER A 23 -2.247 10.578 1.409 1.00 0.00 H new ATOM 0 HA SER A 23 -3.666 9.467 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.405 11.693 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.197 11.410 3.162 1.00 0.00 H new ATOM 0 HG SER A 23 -3.548 13.045 3.309 1.00 0.00 H new ATOM 437 N TYR A 24 -5.732 9.606 1.076 1.00 0.00 N ATOM 438 CA TYR A 24 -6.859 8.931 0.435 1.00 0.00 C ATOM 439 C TYR A 24 -6.413 7.807 -0.485 1.00 0.00 C ATOM 440 O TYR A 24 -7.140 6.838 -0.687 1.00 0.00 O ATOM 441 CB TYR A 24 -7.671 9.948 -0.345 1.00 0.00 C ATOM 442 CG TYR A 24 -8.726 10.668 0.473 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.385 11.319 1.653 1.00 0.00 C ATOM 444 CD2 TYR A 24 -10.054 10.696 0.067 1.00 0.00 C ATOM 445 CE1 TYR A 24 -9.334 11.979 2.403 1.00 0.00 C ATOM 446 CE2 TYR A 24 -11.011 11.360 0.812 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.646 11.998 1.979 1.00 0.00 C ATOM 448 OH TYR A 24 -11.593 12.666 2.723 1.00 0.00 O ATOM 0 H TYR A 24 -5.599 10.571 0.775 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.468 8.480 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.992 10.687 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.158 9.443 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.358 11.307 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.343 10.192 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.052 12.479 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.039 11.379 0.482 1.00 0.00 H new ATOM 0 HH TYR A 24 -12.467 12.585 2.288 1.00 0.00 H new ATOM 458 N ILE A 25 -5.222 7.932 -1.045 1.00 0.00 N ATOM 459 CA ILE A 25 -4.697 6.904 -1.936 1.00 0.00 C ATOM 460 C ILE A 25 -4.603 5.573 -1.200 1.00 0.00 C ATOM 461 O ILE A 25 -4.993 4.534 -1.729 1.00 0.00 O ATOM 462 CB ILE A 25 -3.325 7.306 -2.506 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.490 8.552 -3.381 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.698 6.161 -3.296 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.202 9.045 -3.990 1.00 0.00 C ATOM 0 H ILE A 25 -4.601 8.729 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.385 6.797 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.650 7.533 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.198 8.332 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.926 9.351 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.730 6.475 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.563 5.299 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.352 5.890 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.401 9.929 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.498 9.299 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.774 8.264 -4.619 1.00 0.00 H new ATOM 477 N MET A 26 -4.131 5.619 0.038 1.00 0.00 N ATOM 478 CA MET A 26 -4.034 4.425 0.852 1.00 0.00 C ATOM 479 C MET A 26 -5.422 4.014 1.327 1.00 0.00 C ATOM 480 O MET A 26 -5.681 2.835 1.521 1.00 0.00 O ATOM 481 CB MET A 26 -3.123 4.661 2.062 1.00 0.00 C ATOM 482 CG MET A 26 -3.056 3.470 3.002 1.00 0.00 C ATOM 483 SD MET A 26 -2.042 3.761 4.462 1.00 0.00 S ATOM 484 CE MET A 26 -2.943 5.092 5.250 1.00 0.00 C ATOM 0 H MET A 26 -3.811 6.472 0.497 1.00 0.00 H new ATOM 0 HA MET A 26 -3.603 3.628 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.118 4.896 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.480 5.531 2.613 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.066 3.209 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.660 2.611 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.667 5.145 6.303 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.698 6.036 4.763 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.014 4.907 5.165 1.00 0.00 H new ATOM 494 N ASP A 27 -6.323 4.983 1.497 1.00 0.00 N ATOM 495 CA ASP A 27 -7.673 4.664 1.946 1.00 0.00 C ATOM 496 C ASP A 27 -8.364 3.781 0.931 1.00 0.00 C ATOM 497 O ASP A 27 -9.034 2.812 1.280 1.00 0.00 O ATOM 498 CB ASP A 27 -8.492 5.936 2.165 1.00 0.00 C ATOM 499 CG ASP A 27 -9.897 5.635 2.662 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.035 5.147 3.802 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.870 5.902 1.922 1.00 0.00 O ATOM 0 H ASP A 27 -6.146 5.974 1.334 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.597 4.134 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.982 6.575 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.551 6.494 1.230 1.00 0.00 H new ATOM 506 N HIS A 28 -8.170 4.122 -0.327 1.00 0.00 N ATOM 507 CA HIS A 28 -8.749 3.376 -1.425 1.00 0.00 C ATOM 508 C HIS A 28 -8.070 2.019 -1.596 1.00 0.00 C ATOM 509 O HIS A 28 -8.680 1.077 -2.089 1.00 0.00 O ATOM 510 CB HIS A 28 -8.646 4.194 -2.709 1.00 0.00 C ATOM 511 CG HIS A 28 -9.592 5.357 -2.740 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.957 5.213 -2.842 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.370 6.694 -2.655 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.527 6.400 -2.817 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.588 7.310 -2.707 1.00 0.00 N ATOM 0 H HIS A 28 -7.608 4.922 -0.616 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.799 3.189 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.625 4.560 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.847 3.547 -3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.410 7.180 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.588 6.592 -2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.743 8.317 -2.667 1.00 0.00 H new ATOM 524 N MET A 29 -6.810 1.918 -1.177 1.00 0.00 N ATOM 525 CA MET A 29 -6.067 0.658 -1.288 1.00 0.00 C ATOM 526 C MET A 29 -6.450 -0.322 -0.180 1.00 0.00 C ATOM 527 O MET A 29 -6.476 -1.534 -0.395 1.00 0.00 O ATOM 528 CB MET A 29 -4.556 0.896 -1.254 1.00 0.00 C ATOM 529 CG MET A 29 -3.994 1.476 -2.539 1.00 0.00 C ATOM 530 SD MET A 29 -2.218 1.202 -2.703 1.00 0.00 S ATOM 531 CE MET A 29 -2.176 -0.533 -3.164 1.00 0.00 C ATOM 0 H MET A 29 -6.283 2.685 -0.760 1.00 0.00 H new ATOM 0 HA MET A 29 -6.336 0.222 -2.250 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.323 1.571 -0.430 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.054 -0.049 -1.044 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.507 1.029 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.198 2.546 -2.570 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.360 -1.029 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.121 -1.004 -2.894 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.022 -0.620 -4.240 1.00 0.00 H new ATOM 541 N ILE A 30 -6.754 0.200 1.001 1.00 0.00 N ATOM 542 CA ILE A 30 -7.143 -0.645 2.126 1.00 0.00 C ATOM 543 C ILE A 30 -8.586 -1.094 1.943 1.00 0.00 C ATOM 544 O ILE A 30 -8.919 -2.246 2.205 1.00 0.00 O ATOM 545 CB ILE A 30 -7.006 0.089 3.475 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.665 0.806 3.563 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.142 -0.879 4.639 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.477 1.578 4.856 1.00 0.00 C ATOM 0 H ILE A 30 -6.739 1.199 1.206 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.473 -1.504 2.144 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.809 0.824 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.863 0.074 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.573 1.493 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.041 -0.335 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.120 -1.359 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.362 -1.638 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.501 2.064 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.258 2.333 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.537 0.892 5.701 1.00 0.00 H new ATOM 560 N SER A 31 -9.428 -0.183 1.450 1.00 0.00 N ATOM 561 CA SER A 31 -10.822 -0.504 1.190 1.00 0.00 C ATOM 562 C SER A 31 -10.883 -1.473 0.020 1.00 0.00 C ATOM 563 O SER A 31 -11.809 -2.279 -0.101 1.00 0.00 O ATOM 564 CB SER A 31 -11.632 0.760 0.875 1.00 0.00 C ATOM 565 OG SER A 31 -11.068 1.472 -0.214 1.00 0.00 O ATOM 0 H SER A 31 -9.165 0.777 1.226 1.00 0.00 H new ATOM 0 HA SER A 31 -11.258 -0.959 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.661 0.487 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.665 1.403 1.755 1.00 0.00 H new ATOM 0 HG SER A 31 -10.272 1.956 0.089 1.00 0.00 H new ATOM 571 N ASP A 32 -9.859 -1.397 -0.831 1.00 0.00 N ATOM 572 CA ASP A 32 -9.750 -2.275 -1.980 1.00 0.00 C ATOM 573 C ASP A 32 -9.416 -3.672 -1.481 1.00 0.00 C ATOM 574 O ASP A 32 -9.735 -4.667 -2.130 1.00 0.00 O ATOM 575 CB ASP A 32 -8.673 -1.775 -2.947 1.00 0.00 C ATOM 576 CG ASP A 32 -8.899 -2.246 -4.369 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.005 -2.023 -4.906 1.00 0.00 O ATOM 578 OD2 ASP A 32 -7.968 -2.824 -4.964 1.00 0.00 O ATOM 0 H ASP A 32 -9.093 -0.730 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.694 -2.290 -2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.652 -0.685 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.696 -2.119 -2.606 1.00 0.00 H new ATOM 583 N GLY A 33 -8.801 -3.734 -0.294 1.00 0.00 N ATOM 584 CA GLY A 33 -8.470 -5.012 0.303 1.00 0.00 C ATOM 585 C GLY A 33 -7.062 -5.465 0.005 1.00 0.00 C ATOM 586 O GLY A 33 -6.662 -6.560 0.402 1.00 0.00 O ATOM 0 H GLY A 33 -8.530 -2.920 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.602 -4.945 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.170 -5.765 -0.057 1.00 0.00 H new ATOM 590 N PHE A 34 -6.300 -4.636 -0.692 1.00 0.00 N ATOM 591 CA PHE A 34 -4.931 -4.989 -1.032 1.00 0.00 C ATOM 592 C PHE A 34 -3.991 -4.615 0.102 1.00 0.00 C ATOM 593 O PHE A 34 -3.002 -5.302 0.365 1.00 0.00 O ATOM 594 CB PHE A 34 -4.509 -4.329 -2.342 1.00 0.00 C ATOM 595 CG PHE A 34 -5.146 -4.949 -3.552 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.504 -5.215 -3.584 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.382 -5.270 -4.656 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.088 -5.789 -4.692 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.962 -5.847 -5.769 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.320 -6.106 -5.789 1.00 0.00 C ATOM 0 H PHE A 34 -6.603 -3.723 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.877 -6.068 -1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.766 -3.270 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.425 -4.390 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.115 -4.969 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.321 -5.068 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.149 -5.990 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.353 -6.096 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.775 -6.554 -6.660 1.00 0.00 H new ATOM 610 N LEU A 35 -4.327 -3.550 0.804 1.00 0.00 N ATOM 611 CA LEU A 35 -3.540 -3.129 1.943 1.00 0.00 C ATOM 612 C LEU A 35 -4.208 -3.647 3.205 1.00 0.00 C ATOM 613 O LEU A 35 -5.349 -3.299 3.500 1.00 0.00 O ATOM 614 CB LEU A 35 -3.380 -1.608 1.979 1.00 0.00 C ATOM 615 CG LEU A 35 -1.996 -1.101 1.578 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.644 -1.523 0.162 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.927 0.405 1.716 1.00 0.00 C ATOM 0 H LEU A 35 -5.137 -2.963 0.605 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.535 -3.543 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.121 -1.163 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.603 -1.257 2.987 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.265 -1.549 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.653 -1.147 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.648 -2.611 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.378 -1.114 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.935 0.752 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.675 0.864 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.122 0.685 2.751 1.00 0.00 H new ATOM 629 N THR A 36 -3.513 -4.522 3.912 1.00 0.00 N ATOM 630 CA THR A 36 -4.045 -5.127 5.120 1.00 0.00 C ATOM 631 C THR A 36 -3.905 -4.179 6.302 1.00 0.00 C ATOM 632 O THR A 36 -3.332 -3.099 6.166 1.00 0.00 O ATOM 633 CB THR A 36 -3.297 -6.438 5.423 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.511 -6.815 4.282 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.284 -7.545 5.749 1.00 0.00 C ATOM 0 H THR A 36 -2.572 -4.831 3.667 1.00 0.00 H new ATOM 0 HA THR A 36 -5.103 -5.338 4.961 1.00 0.00 H new ATOM 0 HB THR A 36 -2.645 -6.283 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.577 -6.559 4.429 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.741 -8.466 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.873 -7.262 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.948 -7.703 4.899 1.00 0.00 H new ATOM 643 N ILE A 37 -4.407 -4.589 7.462 1.00 0.00 N ATOM 644 CA ILE A 37 -4.314 -3.775 8.670 1.00 0.00 C ATOM 645 C ILE A 37 -2.845 -3.547 9.015 1.00 0.00 C ATOM 646 O ILE A 37 -2.460 -2.474 9.475 1.00 0.00 O ATOM 647 CB ILE A 37 -5.038 -4.445 9.860 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.489 -4.761 9.488 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.987 -3.557 11.091 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.257 -5.489 10.572 1.00 0.00 C ATOM 0 H ILE A 37 -4.883 -5.482 7.592 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.803 -2.820 8.479 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.525 -5.378 10.093 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.005 -3.830 9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.498 -5.366 8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.503 -4.049 11.916 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.948 -3.378 11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.474 -2.606 10.874 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.276 -5.677 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.767 -6.438 10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.282 -4.877 11.474 1.00 0.00 H new ATOM 662 N SER A 38 -2.019 -4.559 8.746 1.00 0.00 N ATOM 663 CA SER A 38 -0.584 -4.454 8.982 1.00 0.00 C ATOM 664 C SER A 38 0.007 -3.406 8.035 1.00 0.00 C ATOM 665 O SER A 38 0.794 -2.561 8.450 1.00 0.00 O ATOM 666 CB SER A 38 0.096 -5.807 8.773 1.00 0.00 C ATOM 667 OG SER A 38 1.499 -5.708 8.953 1.00 0.00 O ATOM 0 H SER A 38 -2.320 -5.456 8.366 1.00 0.00 H new ATOM 0 HA SER A 38 -0.411 -4.147 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.313 -6.535 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.120 -6.174 7.770 1.00 0.00 H new ATOM 0 HG SER A 38 1.909 -6.587 8.815 1.00 0.00 H new ATOM 673 N GLU A 39 -0.419 -3.446 6.767 1.00 0.00 N ATOM 674 CA GLU A 39 0.023 -2.476 5.768 1.00 0.00 C ATOM 675 C GLU A 39 -0.364 -1.074 6.219 1.00 0.00 C ATOM 676 O GLU A 39 0.467 -0.163 6.246 1.00 0.00 O ATOM 677 CB GLU A 39 -0.621 -2.766 4.412 1.00 0.00 C ATOM 678 CG GLU A 39 0.316 -3.407 3.403 1.00 0.00 C ATOM 679 CD GLU A 39 0.707 -4.820 3.772 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.196 -5.657 3.971 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.921 -5.105 3.834 1.00 0.00 O ATOM 0 H GLU A 39 -1.072 -4.144 6.411 1.00 0.00 H new ATOM 0 HA GLU A 39 1.106 -2.550 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.479 -3.422 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.002 -1.833 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.163 -3.413 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.216 -2.799 3.314 1.00 0.00 H new ATOM 688 N GLU A 40 -1.634 -0.933 6.590 1.00 0.00 N ATOM 689 CA GLU A 40 -2.177 0.333 7.073 1.00 0.00 C ATOM 690 C GLU A 40 -1.376 0.840 8.272 1.00 0.00 C ATOM 691 O GLU A 40 -1.049 2.022 8.364 1.00 0.00 O ATOM 692 CB GLU A 40 -3.642 0.154 7.496 1.00 0.00 C ATOM 693 CG GLU A 40 -4.276 1.422 8.051 1.00 0.00 C ATOM 694 CD GLU A 40 -5.624 1.169 8.697 1.00 0.00 C ATOM 695 OE1 GLU A 40 -6.011 -0.009 8.839 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.294 2.147 9.085 1.00 0.00 O ATOM 0 H GLU A 40 -2.315 -1.692 6.564 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.112 1.058 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.221 -0.185 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.700 -0.631 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.604 1.868 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.394 2.147 7.245 1.00 0.00 H new ATOM 703 N GLU A 41 -1.082 -0.073 9.194 1.00 0.00 N ATOM 704 CA GLU A 41 -0.346 0.251 10.404 1.00 0.00 C ATOM 705 C GLU A 41 1.008 0.878 10.100 1.00 0.00 C ATOM 706 O GLU A 41 1.318 1.932 10.621 1.00 0.00 O ATOM 707 CB GLU A 41 -0.158 -0.996 11.274 1.00 0.00 C ATOM 708 CG GLU A 41 0.452 -0.705 12.640 1.00 0.00 C ATOM 709 CD GLU A 41 -0.441 0.154 13.519 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.594 0.424 13.128 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.002 0.550 14.617 1.00 0.00 O ATOM 0 H GLU A 41 -1.348 -1.055 9.120 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.939 0.985 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.125 -1.480 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.479 -1.704 10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.655 -1.647 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.410 -0.203 12.504 1.00 0.00 H new ATOM 718 N LYS A 42 1.812 0.220 9.274 1.00 0.00 N ATOM 719 CA LYS A 42 3.151 0.726 8.940 1.00 0.00 C ATOM 720 C LYS A 42 3.111 2.153 8.376 1.00 0.00 C ATOM 721 O LYS A 42 3.764 3.066 8.911 1.00 0.00 O ATOM 722 CB LYS A 42 3.841 -0.187 7.914 1.00 0.00 C ATOM 723 CG LYS A 42 3.658 -1.679 8.148 1.00 0.00 C ATOM 724 CD LYS A 42 4.144 -2.492 6.944 1.00 0.00 C ATOM 725 CE LYS A 42 3.603 -3.918 6.949 1.00 0.00 C ATOM 726 NZ LYS A 42 3.885 -4.640 5.665 1.00 0.00 N ATOM 0 H LYS A 42 1.568 -0.661 8.822 1.00 0.00 H new ATOM 0 HA LYS A 42 3.715 0.736 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.463 0.058 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.908 0.036 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.208 -1.980 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.606 -1.894 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.837 -1.993 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.234 -2.520 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.047 -4.469 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.527 -3.895 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.183 -5.614 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.025 -4.658 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.643 -4.148 5.150 1.00 0.00 H new ATOM 740 N VAL A 43 2.353 2.337 7.300 1.00 0.00 N ATOM 741 CA VAL A 43 2.228 3.642 6.652 1.00 0.00 C ATOM 742 C VAL A 43 1.722 4.688 7.640 1.00 0.00 C ATOM 743 O VAL A 43 2.253 5.793 7.706 1.00 0.00 O ATOM 744 CB VAL A 43 1.258 3.574 5.457 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.147 4.927 4.782 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.709 2.513 4.466 1.00 0.00 C ATOM 0 H VAL A 43 1.812 1.596 6.855 1.00 0.00 H new ATOM 0 HA VAL A 43 3.218 3.925 6.296 1.00 0.00 H new ATOM 0 HB VAL A 43 0.271 3.298 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.458 4.858 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.775 5.661 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.129 5.236 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.013 2.478 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.706 2.758 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.732 1.541 4.959 1.00 0.00 H new ATOM 756 N ARG A 44 0.691 4.334 8.405 1.00 0.00 N ATOM 757 CA ARG A 44 0.117 5.261 9.376 1.00 0.00 C ATOM 758 C ARG A 44 1.025 5.438 10.604 1.00 0.00 C ATOM 759 O ARG A 44 0.939 6.467 11.284 1.00 0.00 O ATOM 760 CB ARG A 44 -1.281 4.815 9.819 1.00 0.00 C ATOM 761 CG ARG A 44 -2.099 5.937 10.439 1.00 0.00 C ATOM 762 CD ARG A 44 -3.477 5.459 10.873 1.00 0.00 C ATOM 763 NE ARG A 44 -4.353 6.579 11.235 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.566 6.435 11.762 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.045 5.239 12.044 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.300 7.502 12.012 1.00 0.00 N ATOM 0 H ARG A 44 0.240 3.420 8.372 1.00 0.00 H new ATOM 0 HA ARG A 44 0.032 6.225 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.818 4.416 8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.185 4.003 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.567 6.342 11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.206 6.749 9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.934 4.886 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.377 4.786 11.724 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.011 7.526 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.483 4.408 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.977 5.145 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.937 8.432 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.231 7.398 12.416 1.00 0.00 H new ATOM 780 N ASN A 45 1.894 4.455 10.887 1.00 0.00 N ATOM 781 CA ASN A 45 2.800 4.546 12.024 1.00 0.00 C ATOM 782 C ASN A 45 3.705 5.749 11.854 1.00 0.00 C ATOM 783 O ASN A 45 3.992 6.469 12.814 1.00 0.00 O ATOM 784 CB ASN A 45 3.648 3.282 12.165 1.00 0.00 C ATOM 785 CG ASN A 45 3.027 2.237 13.077 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.644 1.210 13.359 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.807 2.475 13.543 1.00 0.00 N ATOM 0 H ASN A 45 1.982 3.597 10.343 1.00 0.00 H new ATOM 0 HA ASN A 45 2.201 4.654 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.804 2.846 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.630 3.554 12.552 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.353 1.796 14.154 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.323 3.337 13.290 1.00 0.00 H new ATOM 794 N GLU A 46 4.133 5.980 10.621 1.00 0.00 N ATOM 795 CA GLU A 46 4.983 7.128 10.325 1.00 0.00 C ATOM 796 C GLU A 46 4.219 8.434 10.614 1.00 0.00 C ATOM 797 O GLU A 46 2.995 8.495 10.486 1.00 0.00 O ATOM 798 CB GLU A 46 5.477 7.045 8.889 1.00 0.00 C ATOM 799 CG GLU A 46 6.198 5.729 8.591 1.00 0.00 C ATOM 800 CD GLU A 46 7.389 5.467 9.506 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.779 6.374 10.273 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.953 4.348 9.454 1.00 0.00 O ATOM 0 H GLU A 46 3.909 5.395 9.816 1.00 0.00 H new ATOM 0 HA GLU A 46 5.861 7.121 10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.631 7.153 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.152 7.878 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.489 4.906 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.540 5.738 7.556 1.00 0.00 H new ATOM 809 N PRO A 47 4.926 9.468 11.103 1.00 0.00 N ATOM 810 CA PRO A 47 4.309 10.747 11.523 1.00 0.00 C ATOM 811 C PRO A 47 3.850 11.699 10.416 1.00 0.00 C ATOM 812 O PRO A 47 2.788 12.317 10.537 1.00 0.00 O ATOM 813 CB PRO A 47 5.420 11.421 12.346 1.00 0.00 C ATOM 814 CG PRO A 47 6.460 10.367 12.563 1.00 0.00 C ATOM 815 CD PRO A 47 6.370 9.460 11.380 1.00 0.00 C ATOM 0 HA PRO A 47 3.378 10.529 12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.836 12.278 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.034 11.791 13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.454 10.808 12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.277 9.822 13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.950 9.831 10.535 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.738 8.459 11.604 1.00 0.00 H new ATOM 823 N THR A 48 4.633 11.865 9.365 1.00 0.00 N ATOM 824 CA THR A 48 4.256 12.805 8.316 1.00 0.00 C ATOM 825 C THR A 48 4.395 12.186 6.938 1.00 0.00 C ATOM 826 O THR A 48 4.846 11.051 6.824 1.00 0.00 O ATOM 827 CB THR A 48 5.123 14.077 8.387 1.00 0.00 C ATOM 828 OG1 THR A 48 6.514 13.721 8.373 1.00 0.00 O ATOM 829 CG2 THR A 48 4.831 14.872 9.648 1.00 0.00 C ATOM 0 H THR A 48 5.515 11.375 9.213 1.00 0.00 H new ATOM 0 HA THR A 48 3.210 13.065 8.480 1.00 0.00 H new ATOM 0 HB THR A 48 4.884 14.693 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.060 14.534 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.458 15.763 9.670 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.782 15.166 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.044 14.258 10.523 1.00 0.00 H new ATOM 837 N GLN A 49 4.041 12.951 5.891 1.00 0.00 N ATOM 838 CA GLN A 49 4.139 12.490 4.504 1.00 0.00 C ATOM 839 C GLN A 49 5.546 11.988 4.212 1.00 0.00 C ATOM 840 O GLN A 49 5.769 11.214 3.280 1.00 0.00 O ATOM 841 CB GLN A 49 3.798 13.623 3.538 1.00 0.00 C ATOM 842 CG GLN A 49 3.646 13.158 2.100 1.00 0.00 C ATOM 843 CD GLN A 49 2.211 13.265 1.614 1.00 0.00 C ATOM 844 OE1 GLN A 49 1.627 14.345 1.599 1.00 0.00 O ATOM 845 NE2 GLN A 49 1.632 12.153 1.216 1.00 0.00 N ATOM 0 H GLN A 49 3.681 13.901 5.986 1.00 0.00 H new ATOM 0 HA GLN A 49 3.428 11.675 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.871 14.099 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.579 14.381 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.292 13.755 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.981 12.124 2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.147 11.273 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.669 12.171 0.882 1.00 0.00 H new ATOM 854 N GLN A 50 6.468 12.423 5.054 1.00 0.00 N ATOM 855 CA GLN A 50 7.864 12.047 4.979 1.00 0.00 C ATOM 856 C GLN A 50 7.997 10.541 4.819 1.00 0.00 C ATOM 857 O GLN A 50 8.165 10.038 3.709 1.00 0.00 O ATOM 858 CB GLN A 50 8.557 12.523 6.259 1.00 0.00 C ATOM 859 CG GLN A 50 10.013 12.114 6.410 1.00 0.00 C ATOM 860 CD GLN A 50 10.482 12.344 7.829 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.630 13.481 8.280 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.689 11.266 8.562 1.00 0.00 N ATOM 0 H GLN A 50 6.260 13.060 5.823 1.00 0.00 H new ATOM 0 HA GLN A 50 8.334 12.512 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.498 13.611 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.001 12.141 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.131 11.063 6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.631 12.686 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.557 10.340 8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.981 11.359 9.535 1.00 0.00 H new ATOM 871 N GLN A 51 7.890 9.823 5.921 1.00 0.00 N ATOM 872 CA GLN A 51 7.982 8.383 5.885 1.00 0.00 C ATOM 873 C GLN A 51 6.622 7.760 5.624 1.00 0.00 C ATOM 874 O GLN A 51 6.540 6.578 5.350 1.00 0.00 O ATOM 875 CB GLN A 51 8.583 7.849 7.182 1.00 0.00 C ATOM 876 CG GLN A 51 10.087 8.051 7.273 1.00 0.00 C ATOM 877 CD GLN A 51 10.660 7.604 8.601 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.426 8.232 9.632 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.409 6.513 8.592 1.00 0.00 N ATOM 0 H GLN A 51 7.739 10.217 6.850 1.00 0.00 H new ATOM 0 HA GLN A 51 8.643 8.106 5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.105 8.344 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.360 6.785 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.572 7.498 6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.317 9.105 7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.580 6.019 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.815 6.166 9.461 1.00 0.00 H new ATOM 888 N ARG A 52 5.558 8.561 5.703 1.00 0.00 N ATOM 889 CA ARG A 52 4.203 8.053 5.454 1.00 0.00 C ATOM 890 C ARG A 52 4.041 7.754 3.967 1.00 0.00 C ATOM 891 O ARG A 52 3.809 6.610 3.576 1.00 0.00 O ATOM 892 CB ARG A 52 3.129 9.041 5.917 1.00 0.00 C ATOM 893 CG ARG A 52 1.754 8.416 6.074 1.00 0.00 C ATOM 894 CD ARG A 52 1.237 8.557 7.498 1.00 0.00 C ATOM 895 NE ARG A 52 0.774 9.907 7.801 1.00 0.00 N ATOM 896 CZ ARG A 52 0.268 10.267 8.974 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.268 9.415 9.988 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.232 11.474 9.150 1.00 0.00 N ATOM 0 H ARG A 52 5.604 9.553 5.935 1.00 0.00 H new ATOM 0 HA ARG A 52 4.071 7.139 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.433 9.474 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.067 9.860 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.056 8.891 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.800 7.361 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.419 7.854 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.029 8.284 8.196 1.00 0.00 H new ATOM 0 HE ARG A 52 0.843 10.615 7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.657 8.480 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.121 9.694 10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.233 12.143 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.618 11.739 10.056 1.00 0.00 H new ATOM 912 N ALA A 53 4.217 8.781 3.129 1.00 0.00 N ATOM 913 CA ALA A 53 4.148 8.595 1.678 1.00 0.00 C ATOM 914 C ALA A 53 5.276 7.692 1.244 1.00 0.00 C ATOM 915 O ALA A 53 5.081 6.810 0.418 1.00 0.00 O ATOM 916 CB ALA A 53 4.229 9.919 0.940 1.00 0.00 C ATOM 0 H ALA A 53 4.406 9.738 3.427 1.00 0.00 H new ATOM 0 HA ALA A 53 3.188 8.141 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.175 9.741 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.399 10.557 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.172 10.412 1.179 1.00 0.00 H new ATOM 922 N ALA A 54 6.458 7.894 1.825 1.00 0.00 N ATOM 923 CA ALA A 54 7.591 7.060 1.485 1.00 0.00 C ATOM 924 C ALA A 54 7.308 5.599 1.816 1.00 0.00 C ATOM 925 O ALA A 54 7.783 4.716 1.119 1.00 0.00 O ATOM 926 CB ALA A 54 8.852 7.520 2.191 1.00 0.00 C ATOM 0 H ALA A 54 6.647 8.616 2.520 1.00 0.00 H new ATOM 0 HA ALA A 54 7.751 7.152 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.682 6.871 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.079 8.545 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.702 7.475 3.270 1.00 0.00 H new ATOM 932 N MET A 55 6.533 5.345 2.879 1.00 0.00 N ATOM 933 CA MET A 55 6.212 3.985 3.273 1.00 0.00 C ATOM 934 C MET A 55 5.203 3.371 2.316 1.00 0.00 C ATOM 935 O MET A 55 5.306 2.200 1.978 1.00 0.00 O ATOM 936 CB MET A 55 5.692 3.952 4.705 1.00 0.00 C ATOM 937 CG MET A 55 5.533 2.543 5.239 1.00 0.00 C ATOM 938 SD MET A 55 7.070 1.605 5.140 1.00 0.00 S ATOM 939 CE MET A 55 6.539 -0.008 5.701 1.00 0.00 C ATOM 0 H MET A 55 6.123 6.066 3.473 1.00 0.00 H new ATOM 0 HA MET A 55 7.124 3.390 3.228 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.377 4.504 5.348 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.730 4.463 4.750 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.199 2.584 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.756 2.027 4.674 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.992 -0.778 5.076 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.848 -0.153 6.736 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.453 -0.078 5.633 1.00 0.00 H new ATOM 949 N LEU A 56 4.260 4.176 1.847 1.00 0.00 N ATOM 950 CA LEU A 56 3.271 3.716 0.888 1.00 0.00 C ATOM 951 C LEU A 56 4.004 3.258 -0.376 1.00 0.00 C ATOM 952 O LEU A 56 3.800 2.147 -0.870 1.00 0.00 O ATOM 953 CB LEU A 56 2.308 4.860 0.558 1.00 0.00 C ATOM 954 CG LEU A 56 0.988 4.436 -0.085 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.112 3.731 0.941 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.255 5.631 -0.665 1.00 0.00 C ATOM 0 H LEU A 56 4.161 5.154 2.118 1.00 0.00 H new ATOM 0 HA LEU A 56 2.696 2.887 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.088 5.404 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.813 5.556 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 56 1.211 3.747 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.827 3.432 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.629 2.847 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.094 4.408 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.681 5.300 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.042 6.347 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.876 6.105 -1.425 1.00 0.00 H new ATOM 968 N ILE A 57 4.894 4.125 -0.857 1.00 0.00 N ATOM 969 CA ILE A 57 5.717 3.843 -2.034 1.00 0.00 C ATOM 970 C ILE A 57 6.678 2.686 -1.725 1.00 0.00 C ATOM 971 O ILE A 57 6.973 1.848 -2.581 1.00 0.00 O ATOM 972 CB ILE A 57 6.528 5.110 -2.434 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.629 6.346 -2.401 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.124 4.968 -3.829 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.383 7.649 -2.556 1.00 0.00 C ATOM 0 H ILE A 57 5.065 5.041 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 57 5.069 3.562 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 57 7.339 5.221 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.889 6.268 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.083 6.362 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.684 5.869 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.792 4.107 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.323 4.826 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.681 8.482 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.105 7.750 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.908 7.654 -3.511 1.00 0.00 H new ATOM 987 N LYS A 58 7.147 2.641 -0.475 1.00 0.00 N ATOM 988 CA LYS A 58 8.061 1.599 -0.010 1.00 0.00 C ATOM 989 C LYS A 58 7.373 0.224 -0.002 1.00 0.00 C ATOM 990 O LYS A 58 8.025 -0.793 -0.234 1.00 0.00 O ATOM 991 CB LYS A 58 8.618 1.962 1.376 1.00 0.00 C ATOM 992 CG LYS A 58 9.690 1.011 1.893 1.00 0.00 C ATOM 993 CD LYS A 58 10.261 1.485 3.216 1.00 0.00 C ATOM 994 CE LYS A 58 11.015 2.811 3.077 1.00 0.00 C ATOM 995 NZ LYS A 58 12.342 2.647 2.418 1.00 0.00 N ATOM 0 H LYS A 58 6.903 3.326 0.241 1.00 0.00 H new ATOM 0 HA LYS A 58 8.899 1.535 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.032 2.969 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.795 1.985 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.266 0.014 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.491 0.929 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.453 1.602 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.935 0.725 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.410 3.510 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.155 3.251 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.812 3.572 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.932 2.001 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.210 2.253 1.465 1.00 0.00 H new ATOM 1009 N MET A 59 6.054 0.186 0.222 1.00 0.00 N ATOM 1010 CA MET A 59 5.333 -1.089 0.191 1.00 0.00 C ATOM 1011 C MET A 59 5.328 -1.591 -1.231 1.00 0.00 C ATOM 1012 O MET A 59 5.607 -2.757 -1.510 1.00 0.00 O ATOM 1013 CB MET A 59 3.867 -0.958 0.615 1.00 0.00 C ATOM 1014 CG MET A 59 3.610 -0.197 1.893 1.00 0.00 C ATOM 1015 SD MET A 59 1.838 -0.024 2.194 1.00 0.00 S ATOM 1016 CE MET A 59 1.270 0.488 0.566 1.00 0.00 C ATOM 0 H MET A 59 5.477 1.003 0.422 1.00 0.00 H new ATOM 0 HA MET A 59 5.838 -1.760 0.886 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.319 -0.470 -0.191 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.450 -1.959 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.076 -0.716 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.071 0.789 1.833 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.289 0.954 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.975 1.203 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.201 -0.383 -0.086 1.00 0.00 H new ATOM 1026 N ILE A 60 4.990 -0.674 -2.129 1.00 0.00 N ATOM 1027 CA ILE A 60 4.916 -0.972 -3.548 1.00 0.00 C ATOM 1028 C ILE A 60 6.261 -1.511 -4.052 1.00 0.00 C ATOM 1029 O ILE A 60 6.306 -2.282 -5.008 1.00 0.00 O ATOM 1030 CB ILE A 60 4.480 0.269 -4.376 1.00 0.00 C ATOM 1031 CG1 ILE A 60 3.288 0.998 -3.731 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.127 -0.138 -5.796 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.197 0.099 -3.205 1.00 0.00 C ATOM 0 H ILE A 60 4.761 0.292 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 60 4.154 -1.740 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 60 5.324 0.958 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.659 1.612 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.856 1.676 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.824 0.743 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.996 -0.593 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.307 -0.856 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.403 0.706 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.792 -0.498 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.607 -0.562 -2.442 1.00 0.00 H new ATOM 1045 N LEU A 61 7.348 -1.126 -3.375 1.00 0.00 N ATOM 1046 CA LEU A 61 8.695 -1.588 -3.722 1.00 0.00 C ATOM 1047 C LEU A 61 8.772 -3.113 -3.792 1.00 0.00 C ATOM 1048 O LEU A 61 9.538 -3.670 -4.581 1.00 0.00 O ATOM 1049 CB LEU A 61 9.713 -1.093 -2.689 1.00 0.00 C ATOM 1050 CG LEU A 61 10.689 -0.008 -3.168 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.483 -0.494 -4.370 1.00 0.00 C ATOM 1052 CD2 LEU A 61 9.951 1.275 -3.500 1.00 0.00 C ATOM 0 H LEU A 61 7.319 -0.491 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 61 8.927 -1.179 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.168 -0.708 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.294 -1.948 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 61 11.386 0.202 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.169 0.289 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.051 -1.383 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.799 -0.737 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.664 2.028 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.225 1.083 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.433 1.637 -2.612 1.00 0.00 H new ATOM 1064 N LYS A 62 7.980 -3.796 -2.969 1.00 0.00 N ATOM 1065 CA LYS A 62 7.998 -5.254 -2.972 1.00 0.00 C ATOM 1066 C LYS A 62 6.598 -5.859 -2.822 1.00 0.00 C ATOM 1067 O LYS A 62 6.390 -6.763 -2.010 1.00 0.00 O ATOM 1068 CB LYS A 62 8.911 -5.803 -1.870 1.00 0.00 C ATOM 1069 CG LYS A 62 9.910 -6.851 -2.357 1.00 0.00 C ATOM 1070 CD LYS A 62 9.220 -8.075 -2.956 1.00 0.00 C ATOM 1071 CE LYS A 62 8.576 -8.954 -1.888 1.00 0.00 C ATOM 1072 NZ LYS A 62 7.875 -10.129 -2.478 1.00 0.00 N ATOM 0 H LYS A 62 7.331 -3.373 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 62 8.391 -5.548 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.459 -4.975 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.294 -6.241 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.566 -6.405 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.541 -7.163 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.458 -7.750 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.947 -8.662 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.342 -9.300 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.867 -8.361 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.452 -10.699 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.127 -9.800 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.556 -10.710 -3.008 1.00 0.00 H new ATOM 1086 N LYS A 63 5.657 -5.406 -3.635 1.00 0.00 N ATOM 1087 CA LYS A 63 4.318 -5.963 -3.611 1.00 0.00 C ATOM 1088 C LYS A 63 4.145 -6.802 -4.880 1.00 0.00 C ATOM 1089 O LYS A 63 4.996 -7.634 -5.160 1.00 0.00 O ATOM 1090 CB LYS A 63 3.255 -4.869 -3.488 1.00 0.00 C ATOM 1091 CG LYS A 63 2.331 -5.077 -2.292 1.00 0.00 C ATOM 1092 CD LYS A 63 3.092 -5.008 -0.972 1.00 0.00 C ATOM 1093 CE LYS A 63 2.269 -5.528 0.209 1.00 0.00 C ATOM 1094 NZ LYS A 63 3.075 -5.606 1.463 1.00 0.00 N ATOM 0 H LYS A 63 5.796 -4.659 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 63 4.185 -6.595 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.746 -3.900 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.660 -4.842 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.548 -4.319 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.838 -6.045 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.010 -5.590 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.385 -3.976 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.412 -4.874 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.875 -6.516 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.109 -6.592 1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.041 -5.269 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.637 -5.011 2.195 1.00 0.00 H new ATOM 1108 N ASP A 64 3.081 -6.587 -5.654 1.00 0.00 N ATOM 1109 CA ASP A 64 2.873 -7.357 -6.892 1.00 0.00 C ATOM 1110 C ASP A 64 2.115 -6.541 -7.910 1.00 0.00 C ATOM 1111 O ASP A 64 1.696 -5.422 -7.625 1.00 0.00 O ATOM 1112 CB ASP A 64 2.113 -8.664 -6.609 1.00 0.00 C ATOM 1113 CG ASP A 64 2.936 -9.675 -5.828 1.00 0.00 C ATOM 1114 OD1 ASP A 64 3.988 -10.116 -6.338 1.00 0.00 O ATOM 1115 OD2 ASP A 64 2.540 -10.014 -4.697 1.00 0.00 O ATOM 0 H ASP A 64 2.356 -5.898 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 64 3.856 -7.603 -7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.205 -8.436 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.803 -9.109 -7.554 1.00 0.00 H new ATOM 1120 N ASN A 65 1.949 -7.110 -9.098 1.00 0.00 N ATOM 1121 CA ASN A 65 1.238 -6.444 -10.180 1.00 0.00 C ATOM 1122 C ASN A 65 -0.161 -6.063 -9.725 1.00 0.00 C ATOM 1123 O ASN A 65 -0.604 -4.941 -9.926 1.00 0.00 O ATOM 1124 CB ASN A 65 1.158 -7.365 -11.406 1.00 0.00 C ATOM 1125 CG ASN A 65 0.812 -6.635 -12.690 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.184 -5.928 -12.779 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.621 -6.834 -13.712 1.00 0.00 N ATOM 0 H ASN A 65 2.300 -8.038 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 65 1.781 -5.540 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.114 -7.872 -11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.410 -8.136 -11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.425 -6.393 -14.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.442 -7.429 -13.604 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.841 -7.009 -9.101 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.192 -6.792 -8.610 1.00 0.00 C ATOM 1136 C ASP A 66 -2.261 -5.576 -7.686 1.00 0.00 C ATOM 1137 O ASP A 66 -3.115 -4.704 -7.862 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.681 -8.041 -7.874 1.00 0.00 C ATOM 1139 CG ASP A 66 -4.125 -8.376 -8.183 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.470 -8.449 -9.376 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.908 -8.598 -7.239 1.00 0.00 O ATOM 0 H ASP A 66 -0.476 -7.944 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.838 -6.597 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.050 -8.887 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.569 -7.892 -6.800 1.00 0.00 H new ATOM 1146 N SER A 67 -1.365 -5.518 -6.701 1.00 0.00 N ATOM 1147 CA SER A 67 -1.342 -4.403 -5.753 1.00 0.00 C ATOM 1148 C SER A 67 -0.912 -3.127 -6.432 1.00 0.00 C ATOM 1149 O SER A 67 -1.350 -2.044 -6.064 1.00 0.00 O ATOM 1150 CB SER A 67 -0.378 -4.672 -4.623 1.00 0.00 C ATOM 1151 OG SER A 67 -0.297 -6.063 -4.344 1.00 0.00 O ATOM 0 H SER A 67 -0.649 -6.226 -6.539 1.00 0.00 H new ATOM 0 HA SER A 67 -2.355 -4.298 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.610 -4.292 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.700 -4.136 -3.730 1.00 0.00 H new ATOM 0 HG SER A 67 -0.092 -6.195 -3.395 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.035 -3.258 -7.409 1.00 0.00 N ATOM 1158 CA TYR A 68 0.460 -2.102 -8.124 1.00 0.00 C ATOM 1159 C TYR A 68 -0.661 -1.484 -8.949 1.00 0.00 C ATOM 1160 O TYR A 68 -0.823 -0.271 -8.943 1.00 0.00 O ATOM 1161 CB TYR A 68 1.659 -2.469 -8.994 1.00 0.00 C ATOM 1162 CG TYR A 68 2.226 -1.307 -9.763 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.178 -0.010 -9.260 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.809 -1.504 -10.997 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.692 1.048 -9.978 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.325 -0.449 -11.712 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.266 0.819 -11.203 1.00 0.00 C ATOM 1168 OH TYR A 68 3.772 1.861 -11.932 1.00 0.00 O ATOM 0 H TYR A 68 0.347 -4.150 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 68 0.802 -1.361 -7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.440 -2.891 -8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.362 -3.248 -9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.732 0.170 -8.293 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.861 -2.501 -11.408 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.643 2.050 -9.579 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.778 -0.622 -12.677 1.00 0.00 H new ATOM 0 HH TYR A 68 4.657 1.619 -12.277 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.463 -2.309 -9.620 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.591 -1.784 -10.389 1.00 0.00 C ATOM 1180 C VAL A 69 -3.602 -1.181 -9.415 1.00 0.00 C ATOM 1181 O VAL A 69 -4.300 -0.229 -9.745 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.276 -2.842 -11.286 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.224 -2.174 -12.263 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.241 -3.655 -12.050 1.00 0.00 C ATOM 0 H VAL A 69 -1.357 -3.323 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.202 -1.027 -11.070 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.843 -3.514 -10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.698 -2.932 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.989 -1.628 -11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.667 -1.481 -12.894 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.746 -4.392 -12.674 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.649 -2.991 -12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.585 -4.165 -11.344 1.00 0.00 H new ATOM 1194 N SER A 70 -3.627 -1.704 -8.187 1.00 0.00 N ATOM 1195 CA SER A 70 -4.501 -1.167 -7.146 1.00 0.00 C ATOM 1196 C SER A 70 -3.953 0.194 -6.734 1.00 0.00 C ATOM 1197 O SER A 70 -4.680 1.183 -6.757 1.00 0.00 O ATOM 1198 CB SER A 70 -4.581 -2.114 -5.947 1.00 0.00 C ATOM 1199 OG SER A 70 -5.527 -1.664 -4.985 1.00 0.00 O ATOM 0 H SER A 70 -3.054 -2.495 -7.892 1.00 0.00 H new ATOM 0 HA SER A 70 -5.516 -1.062 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.856 -3.112 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.599 -2.196 -5.481 1.00 0.00 H new ATOM 0 HG SER A 70 -6.334 -2.217 -5.036 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.649 0.255 -6.400 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.015 1.541 -6.051 1.00 0.00 C ATOM 1207 C PHE A 71 -2.214 2.536 -7.210 1.00 0.00 C ATOM 1208 O PHE A 71 -2.474 3.722 -7.002 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.516 1.342 -5.743 1.00 0.00 C ATOM 1210 CG PHE A 71 0.258 2.617 -5.521 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.076 3.492 -4.496 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.331 2.930 -6.343 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.654 4.650 -4.298 1.00 0.00 C ATOM 1214 CE2 PHE A 71 2.057 4.087 -6.148 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.720 4.948 -5.128 1.00 0.00 C ATOM 0 H PHE A 71 -2.026 -0.552 -6.365 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.484 1.944 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.422 0.717 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.059 0.795 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.911 3.267 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.601 2.260 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.392 5.322 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.890 4.317 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.287 5.855 -4.976 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.135 2.002 -8.428 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.345 2.761 -9.666 1.00 0.00 C ATOM 1227 C TYR A 72 -3.761 3.336 -9.698 1.00 0.00 C ATOM 1228 O TYR A 72 -3.960 4.531 -9.906 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.131 1.810 -10.853 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.663 2.283 -12.184 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.074 3.332 -12.874 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.753 1.649 -12.763 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.562 3.740 -14.104 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.243 2.045 -13.990 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.647 3.092 -14.659 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.130 3.486 -15.888 1.00 0.00 O ATOM 0 H TYR A 72 -1.921 1.018 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.641 3.592 -9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.062 1.625 -10.957 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.598 0.854 -10.616 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.222 3.838 -12.445 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.227 0.830 -12.243 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.096 4.562 -14.627 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.091 1.536 -14.425 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.895 2.926 -16.134 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.727 2.459 -9.479 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.145 2.820 -9.458 1.00 0.00 C ATOM 1248 C ASN A 73 -6.433 3.839 -8.350 1.00 0.00 C ATOM 1249 O ASN A 73 -7.273 4.723 -8.511 1.00 0.00 O ATOM 1250 CB ASN A 73 -6.986 1.554 -9.267 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.470 1.833 -9.136 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.087 2.441 -10.008 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.055 1.367 -8.048 1.00 0.00 N ATOM 0 H ASN A 73 -4.554 1.468 -9.309 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.409 3.285 -10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.822 0.887 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.642 1.029 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.056 1.507 -7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.506 0.867 -7.348 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.715 3.727 -7.236 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.874 4.655 -6.123 1.00 0.00 C ATOM 1262 C ALA A 74 -5.446 6.059 -6.537 1.00 0.00 C ATOM 1263 O ALA A 74 -6.031 7.050 -6.096 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.082 4.175 -4.927 1.00 0.00 C ATOM 0 H ALA A 74 -5.016 3.001 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.926 4.693 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.208 4.876 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.440 3.191 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.026 4.112 -5.191 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.452 6.139 -7.417 1.00 0.00 N ATOM 1271 CA LEU A 75 -3.989 7.423 -7.927 1.00 0.00 C ATOM 1272 C LEU A 75 -5.119 8.068 -8.721 1.00 0.00 C ATOM 1273 O LEU A 75 -5.370 9.264 -8.602 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.745 7.243 -8.804 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.493 6.752 -8.067 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.403 6.351 -9.056 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -0.975 7.830 -7.127 1.00 0.00 C ATOM 0 H LEU A 75 -3.954 5.331 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.711 8.068 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.980 6.536 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.516 8.195 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.766 5.874 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.475 6.006 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.770 5.549 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.134 7.211 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.086 7.467 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.723 8.722 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.745 8.075 -6.395 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.836 7.254 -9.497 1.00 0.00 N ATOM 1290 CA LEU A 76 -6.971 7.745 -10.275 1.00 0.00 C ATOM 1291 C LEU A 76 -8.117 8.152 -9.348 1.00 0.00 C ATOM 1292 O LEU A 76 -8.958 8.967 -9.715 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.474 6.689 -11.268 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.691 6.576 -12.580 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.353 5.889 -12.363 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.513 5.829 -13.620 1.00 0.00 C ATOM 0 H LEU A 76 -5.651 6.256 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.627 8.613 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.459 5.718 -10.774 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.515 6.909 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.493 7.583 -12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.820 5.823 -13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.760 6.464 -11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.519 4.886 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.946 5.755 -14.548 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.741 4.828 -13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.442 6.368 -13.805 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.132 7.580 -8.150 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.159 7.868 -7.165 1.00 0.00 C ATOM 1310 C HIS A 77 -8.950 9.235 -6.528 1.00 0.00 C ATOM 1311 O HIS A 77 -9.901 9.853 -6.048 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.170 6.773 -6.094 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.300 5.801 -6.247 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.628 6.172 -6.213 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.291 4.462 -6.436 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.385 5.102 -6.380 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.600 4.052 -6.518 1.00 0.00 N ATOM 0 H HIS A 77 -7.433 6.906 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.124 7.886 -7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.226 6.230 -6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.232 7.238 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.417 3.832 -6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.465 5.090 -6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.913 3.092 -6.662 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.711 9.709 -6.524 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.406 11.011 -5.934 1.00 0.00 C ATOM 1328 C GLU A 78 -6.879 12.016 -6.966 1.00 0.00 C ATOM 1329 O GLU A 78 -6.013 12.838 -6.659 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.415 10.851 -4.783 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.067 10.555 -3.457 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.004 11.668 -3.024 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.100 11.796 -3.604 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -7.629 12.436 -2.114 1.00 0.00 O ATOM 0 H GLU A 78 -6.907 9.220 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.341 11.417 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.720 10.047 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.827 11.764 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.623 9.620 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.298 10.413 -2.698 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.445 11.972 -8.173 1.00 0.00 N ATOM 1342 CA GLY A 79 -7.071 12.901 -9.238 1.00 0.00 C ATOM 1343 C GLY A 79 -5.598 12.896 -9.637 1.00 0.00 C ATOM 1344 O GLY A 79 -5.124 13.863 -10.232 1.00 0.00 O ATOM 0 H GLY A 79 -8.166 11.301 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.668 12.671 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.340 13.910 -8.925 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.873 11.823 -9.341 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.461 11.740 -9.708 1.00 0.00 C ATOM 1350 C TYR A 80 -3.301 10.865 -10.944 1.00 0.00 C ATOM 1351 O TYR A 80 -2.508 9.917 -10.977 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.637 11.209 -8.531 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.816 12.034 -7.272 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.686 13.417 -7.298 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.131 11.435 -6.063 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.871 14.178 -6.155 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.326 12.187 -4.918 1.00 0.00 C ATOM 1358 CZ TYR A 80 -3.192 13.552 -4.966 1.00 0.00 C ATOM 1359 OH TYR A 80 -3.394 14.301 -3.824 1.00 0.00 O ATOM 0 H TYR A 80 -5.234 11.004 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.089 12.736 -9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.924 10.177 -8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.582 11.198 -8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.436 13.908 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.226 10.360 -6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.765 15.252 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.583 11.701 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.613 13.706 -3.077 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.094 11.193 -11.953 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.116 10.472 -13.216 1.00 0.00 C ATOM 1371 C LYS A 81 -2.814 10.643 -13.991 1.00 0.00 C ATOM 1372 O LYS A 81 -2.409 9.753 -14.729 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.306 10.960 -14.055 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.463 10.273 -15.404 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.636 10.838 -16.193 1.00 0.00 C ATOM 1376 CE LYS A 81 -6.460 12.322 -16.468 1.00 0.00 C ATOM 1377 NZ LYS A 81 -7.601 12.897 -17.232 1.00 0.00 N ATOM 0 H LYS A 81 -4.747 11.976 -11.917 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.224 9.409 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.221 10.814 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.200 12.032 -14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.546 10.391 -15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.608 9.203 -15.252 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.733 10.301 -17.137 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.560 10.677 -15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.355 12.854 -15.522 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.537 12.478 -17.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.434 13.911 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.687 12.409 -18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.480 12.773 -16.689 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.165 11.792 -13.838 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.918 12.058 -14.551 1.00 0.00 C ATOM 1393 C ASP A 82 0.197 11.114 -14.118 1.00 0.00 C ATOM 1394 O ASP A 82 0.849 10.497 -14.964 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.487 13.510 -14.344 1.00 0.00 C ATOM 1396 CG ASP A 82 0.656 13.905 -15.251 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.471 13.874 -16.485 1.00 0.00 O ATOM 1398 OD2 ASP A 82 1.738 14.257 -14.737 1.00 0.00 O ATOM 0 H ASP A 82 -2.478 12.550 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.105 11.885 -15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.337 14.168 -14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.190 13.654 -13.305 1.00 0.00 H new ATOM 1403 N LEU A 83 0.425 10.994 -12.812 1.00 0.00 N ATOM 1404 CA LEU A 83 1.472 10.109 -12.306 1.00 0.00 C ATOM 1405 C LEU A 83 1.159 8.678 -12.721 1.00 0.00 C ATOM 1406 O LEU A 83 2.005 7.970 -13.248 1.00 0.00 O ATOM 1407 CB LEU A 83 1.568 10.198 -10.775 1.00 0.00 C ATOM 1408 CG LEU A 83 2.982 10.123 -10.163 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.693 8.823 -10.521 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.811 11.315 -10.606 1.00 0.00 C ATOM 0 H LEU A 83 -0.096 11.493 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 83 2.429 10.417 -12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.110 11.136 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.970 9.392 -10.349 1.00 0.00 H new ATOM 0 HG LEU A 83 2.869 10.145 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.685 8.814 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.116 7.978 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.788 8.746 -11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.806 11.249 -10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.893 11.317 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.329 12.236 -10.277 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.082 8.276 -12.501 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.536 6.940 -12.869 1.00 0.00 C ATOM 1424 C ALA A 84 -0.370 6.692 -14.370 1.00 0.00 C ATOM 1425 O ALA A 84 -0.019 5.591 -14.780 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.982 6.750 -12.452 1.00 0.00 C ATOM 0 H ALA A 84 -0.799 8.858 -12.067 1.00 0.00 H new ATOM 0 HA ALA A 84 0.082 6.212 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.313 5.749 -12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.069 6.873 -11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.605 7.491 -12.953 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.592 7.719 -15.193 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.422 7.577 -16.642 1.00 0.00 C ATOM 1434 C ALA A 85 1.036 7.301 -16.944 1.00 0.00 C ATOM 1435 O ALA A 85 1.367 6.500 -17.819 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.912 8.818 -17.378 1.00 0.00 C ATOM 0 H ALA A 85 -0.886 8.647 -14.887 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.025 6.740 -16.993 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.773 8.683 -18.451 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.970 8.973 -17.166 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.344 9.687 -17.045 1.00 0.00 H new ATOM 1442 N LEU A 86 1.906 7.933 -16.170 1.00 0.00 N ATOM 1443 CA LEU A 86 3.342 7.727 -16.301 1.00 0.00 C ATOM 1444 C LEU A 86 3.698 6.265 -16.001 1.00 0.00 C ATOM 1445 O LEU A 86 4.753 5.771 -16.404 1.00 0.00 O ATOM 1446 CB LEU A 86 4.097 8.628 -15.320 1.00 0.00 C ATOM 1447 CG LEU A 86 4.127 10.107 -15.667 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.509 10.938 -14.455 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.105 10.343 -16.794 1.00 0.00 C ATOM 0 H LEU A 86 1.641 8.596 -15.441 1.00 0.00 H new ATOM 0 HA LEU A 86 3.630 7.973 -17.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.648 8.515 -14.333 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.124 8.271 -15.245 1.00 0.00 H new ATOM 0 HG LEU A 86 3.130 10.413 -15.985 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.524 11.993 -14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.780 10.779 -13.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.497 10.639 -14.106 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.125 11.404 -17.042 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.100 10.023 -16.485 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.796 9.772 -17.669 1.00 0.00 H new ATOM 1461 N LEU A 87 2.815 5.600 -15.261 1.00 0.00 N ATOM 1462 CA LEU A 87 3.014 4.214 -14.860 1.00 0.00 C ATOM 1463 C LEU A 87 2.205 3.256 -15.739 1.00 0.00 C ATOM 1464 O LEU A 87 2.449 2.049 -15.738 1.00 0.00 O ATOM 1465 CB LEU A 87 2.560 4.017 -13.415 1.00 0.00 C ATOM 1466 CG LEU A 87 2.677 5.220 -12.486 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.359 4.798 -11.063 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.064 5.836 -12.552 1.00 0.00 C ATOM 0 H LEU A 87 1.943 6.008 -14.924 1.00 0.00 H new ATOM 0 HA LEU A 87 4.077 3.996 -14.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.518 3.698 -13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.139 3.199 -12.986 1.00 0.00 H new ATOM 0 HG LEU A 87 1.961 5.975 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.443 5.659 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.344 4.404 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.061 4.027 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.115 6.691 -11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.806 5.095 -12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.268 6.164 -13.571 1.00 0.00 H new ATOM 1480 N HIS A 88 1.221 3.803 -16.456 1.00 0.00 N ATOM 1481 CA HIS A 88 0.332 3.022 -17.319 1.00 0.00 C ATOM 1482 C HIS A 88 1.122 2.214 -18.340 1.00 0.00 C ATOM 1483 O HIS A 88 0.648 1.194 -18.840 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.645 3.951 -18.048 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.854 3.254 -18.582 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.718 3.828 -19.482 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.352 2.026 -18.320 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.692 2.983 -19.750 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.494 1.882 -19.057 1.00 0.00 N ATOM 0 H HIS A 88 1.018 4.803 -16.455 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.223 2.330 -16.686 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.963 4.738 -17.364 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.123 4.437 -18.872 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.926 1.293 -17.651 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.515 3.163 -20.425 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.094 1.057 -19.068 1.00 0.00 H new ATOM 1498 N ASP A 89 2.330 2.668 -18.629 1.00 0.00 N ATOM 1499 CA ASP A 89 3.200 1.978 -19.583 1.00 0.00 C ATOM 1500 C ASP A 89 3.462 0.554 -19.104 1.00 0.00 C ATOM 1501 O ASP A 89 3.451 -0.394 -19.883 1.00 0.00 O ATOM 1502 CB ASP A 89 4.528 2.722 -19.754 1.00 0.00 C ATOM 1503 CG ASP A 89 5.408 2.114 -20.833 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.871 0.967 -20.674 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.641 2.782 -21.860 1.00 0.00 O ATOM 0 H ASP A 89 2.736 3.510 -18.220 1.00 0.00 H new ATOM 0 HA ASP A 89 2.697 1.952 -20.550 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.326 3.764 -20.001 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.067 2.717 -18.806 1.00 0.00 H new ATOM 1510 N GLY A 90 3.678 0.420 -17.801 1.00 0.00 N ATOM 1511 CA GLY A 90 3.925 -0.878 -17.223 1.00 0.00 C ATOM 1512 C GLY A 90 2.645 -1.622 -16.894 1.00 0.00 C ATOM 1513 O GLY A 90 2.649 -2.844 -16.790 1.00 0.00 O ATOM 0 H GLY A 90 3.686 1.193 -17.136 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.519 -1.473 -17.916 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.517 -0.761 -16.315 1.00 0.00 H new ATOM 1517 N ILE A 91 1.543 -0.890 -16.720 1.00 0.00 N ATOM 1518 CA ILE A 91 0.266 -1.511 -16.406 1.00 0.00 C ATOM 1519 C ILE A 91 -0.380 -2.065 -17.682 1.00 0.00 C ATOM 1520 O ILE A 91 -0.722 -1.310 -18.587 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.693 -0.503 -15.725 1.00 0.00 C ATOM 1522 CG1 ILE A 91 0.036 0.313 -14.644 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.884 -1.227 -15.131 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.834 -0.518 -13.668 1.00 0.00 C ATOM 0 H ILE A 91 1.514 0.127 -16.792 1.00 0.00 H new ATOM 0 HA ILE A 91 0.451 -2.330 -15.711 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.049 0.191 -16.486 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.705 1.022 -15.131 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.699 0.897 -14.090 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.549 -0.505 -14.656 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.422 -1.751 -15.921 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.539 -1.946 -14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.315 0.136 -12.941 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.169 -1.209 -13.150 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.595 -1.082 -14.207 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.506 -3.396 -17.791 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.064 -4.053 -18.982 1.00 0.00 C ATOM 1538 C PRO A 92 -2.598 -4.066 -19.047 1.00 0.00 C ATOM 1539 O PRO A 92 -3.197 -4.922 -19.703 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.527 -5.477 -18.844 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.427 -5.702 -17.371 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.070 -4.373 -16.775 1.00 0.00 C ATOM 0 HA PRO A 92 -0.779 -3.529 -19.894 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.196 -6.200 -19.311 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.444 -5.583 -19.328 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.370 -6.070 -16.967 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.332 -6.450 -17.141 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.578 -4.213 -15.824 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.000 -4.297 -16.582 1.00 0.00 H new