USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 866 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 88 SER OG : rot 64:sc= 0.0482 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.117 K(o=-0.069,f=-4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.233) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.443 K(o=0.44,f=-7.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -149:sc= -1.46 (180deg=-4.19!) USER MOD Single : A 52 SER OG : rot 29:sc= 0.111 USER MOD Single : A 59 ASN : amide:sc= 0.2 K(o=0.2,f=-4.8!) USER MOD Single : A 70 MET CE :methyl 160:sc= -3.63! (180deg=-4.71!) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.37 F(o=-2.5,f=-1.4) USER MOD Single : A 81 ASN : amide:sc= -0.0887 X(o=-0.089,f=-0.089) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.04 F(o=-2.1!,f=-1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.29! X(o=-2.3!,f=-2.6) USER MOD Single : A 90 GLN : amide:sc= -0.0129 K(o=-0.013,f=-0.88) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -14:sc= 1.07 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -147:sc= -0.0958 (180deg=-1.09) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.78! C(o=-3.8!,f=-19!) USER MOD Single : A 115 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.42) USER MOD Single : A 116 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.2) USER MOD Single : A 117 MET CE :methyl -110:sc= -3.95! (180deg=-6.54!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.659 -11.737 11.556 1.00 0.00 N ATOM 89 CA PHE A 10 1.187 -10.536 10.877 1.00 0.00 C ATOM 90 C PHE A 10 1.272 -9.322 11.797 1.00 0.00 C ATOM 91 O PHE A 10 0.667 -8.282 11.531 1.00 0.00 O ATOM 92 CB PHE A 10 -0.254 -10.728 10.398 1.00 0.00 C ATOM 93 CG PHE A 10 -0.378 -11.668 9.233 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.500 -13.033 9.438 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.373 -11.187 7.934 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.616 -13.901 8.368 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.489 -12.049 6.861 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.609 -13.408 7.078 1.00 0.00 C ATOM 0 HA PHE A 10 1.829 -10.361 10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.856 -11.105 11.225 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.668 -9.759 10.119 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.505 -13.423 10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.277 -10.126 7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.712 -14.963 8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.486 -11.661 5.853 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.697 -14.084 6.240 1.00 0.00 H new ATOM 108 N THR A 11 2.027 -9.461 12.883 1.00 0.00 N ATOM 109 CA THR A 11 2.190 -8.378 13.844 1.00 0.00 C ATOM 110 C THR A 11 3.240 -7.378 13.372 1.00 0.00 C ATOM 111 O THR A 11 4.290 -7.763 12.857 1.00 0.00 O ATOM 112 CB THR A 11 2.594 -8.914 15.230 1.00 0.00 C ATOM 113 OG1 THR A 11 3.699 -9.816 15.104 1.00 0.00 O ATOM 114 CG2 THR A 11 1.426 -9.625 15.897 1.00 0.00 C ATOM 0 H THR A 11 2.535 -10.314 13.118 1.00 0.00 H new ATOM 0 HA THR A 11 1.225 -7.877 13.923 1.00 0.00 H new ATOM 0 HB THR A 11 2.886 -8.067 15.851 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.951 -10.151 15.990 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.735 -9.995 16.875 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.597 -8.928 16.019 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.107 -10.463 15.276 1.00 0.00 H new ATOM 122 N ASP A 12 2.951 -6.094 13.553 1.00 0.00 N ATOM 123 CA ASP A 12 3.871 -5.039 13.147 1.00 0.00 C ATOM 124 C ASP A 12 5.318 -5.451 13.403 1.00 0.00 C ATOM 125 O ASP A 12 6.113 -5.567 12.471 1.00 0.00 O ATOM 126 CB ASP A 12 3.557 -3.743 13.897 1.00 0.00 C ATOM 127 CG ASP A 12 4.670 -2.720 13.777 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.658 -2.827 14.533 1.00 0.00 O ATOM 129 OD2 ASP A 12 4.554 -1.814 12.926 1.00 0.00 O ATOM 0 H ASP A 12 2.087 -5.759 13.978 1.00 0.00 H new ATOM 0 HA ASP A 12 3.743 -4.871 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.632 -3.317 13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.386 -3.968 14.950 1.00 0.00 H new ATOM 134 N GLN A 13 5.650 -5.670 14.671 1.00 0.00 N ATOM 135 CA GLN A 13 7.001 -6.068 15.049 1.00 0.00 C ATOM 136 C GLN A 13 7.590 -7.034 14.026 1.00 0.00 C ATOM 137 O GLN A 13 8.769 -6.948 13.681 1.00 0.00 O ATOM 138 CB GLN A 13 6.996 -6.715 16.435 1.00 0.00 C ATOM 139 CG GLN A 13 6.051 -7.900 16.550 1.00 0.00 C ATOM 140 CD GLN A 13 5.938 -8.420 17.970 1.00 0.00 C ATOM 141 OE1 GLN A 13 6.852 -9.069 18.480 1.00 0.00 O ATOM 142 NE2 GLN A 13 4.813 -8.137 18.616 1.00 0.00 N ATOM 0 H GLN A 13 5.002 -5.579 15.454 1.00 0.00 H new ATOM 0 HA GLN A 13 7.622 -5.173 15.076 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.007 -7.042 16.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.717 -5.965 17.176 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.063 -7.608 16.194 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.400 -8.702 15.900 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.082 -7.596 18.154 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.680 -8.461 19.574 1.00 0.00 H new ATOM 151 N LYS A 14 6.762 -7.954 13.543 1.00 0.00 N ATOM 152 CA LYS A 14 7.199 -8.937 12.559 1.00 0.00 C ATOM 153 C LYS A 14 7.227 -8.330 11.160 1.00 0.00 C ATOM 154 O LYS A 14 8.107 -8.640 10.356 1.00 0.00 O ATOM 155 CB LYS A 14 6.274 -10.156 12.580 1.00 0.00 C ATOM 156 CG LYS A 14 6.695 -11.222 13.577 1.00 0.00 C ATOM 157 CD LYS A 14 7.762 -12.136 13.000 1.00 0.00 C ATOM 158 CE LYS A 14 8.374 -13.025 14.072 1.00 0.00 C ATOM 159 NZ LYS A 14 9.220 -14.100 13.484 1.00 0.00 N ATOM 0 H LYS A 14 5.783 -8.039 13.818 1.00 0.00 H new ATOM 0 HA LYS A 14 8.210 -9.251 12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.261 -9.829 12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.243 -10.595 11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.073 -10.746 14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.826 -11.813 13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.326 -12.756 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.543 -11.536 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.976 -12.417 14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.580 -13.473 14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.619 -14.684 14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.640 -14.695 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.993 -13.672 12.935 1.00 0.00 H new ATOM 173 N ILE A 15 6.260 -7.464 10.876 1.00 0.00 N ATOM 174 CA ILE A 15 6.176 -6.813 9.575 1.00 0.00 C ATOM 175 C ILE A 15 7.397 -5.936 9.319 1.00 0.00 C ATOM 176 O ILE A 15 8.029 -6.026 8.267 1.00 0.00 O ATOM 177 CB ILE A 15 4.906 -5.950 9.458 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.657 -6.813 9.652 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.865 -5.247 8.110 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.370 -6.019 9.667 1.00 0.00 C ATOM 0 H ILE A 15 5.524 -7.197 11.530 1.00 0.00 H new ATOM 0 HA ILE A 15 6.137 -7.606 8.828 1.00 0.00 H new ATOM 0 HB ILE A 15 4.927 -5.192 10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.609 -7.553 8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.747 -7.362 10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.961 -4.641 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.740 -4.606 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.864 -5.990 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.527 -6.695 9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.397 -5.297 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.257 -5.491 8.720 1.00 0.00 H new ATOM 192 N ARG A 16 7.725 -5.090 10.290 1.00 0.00 N ATOM 193 CA ARG A 16 8.872 -4.197 10.171 1.00 0.00 C ATOM 194 C ARG A 16 10.161 -4.991 9.982 1.00 0.00 C ATOM 195 O ARG A 16 10.998 -4.642 9.150 1.00 0.00 O ATOM 196 CB ARG A 16 8.984 -3.309 11.411 1.00 0.00 C ATOM 197 CG ARG A 16 9.277 -4.080 12.688 1.00 0.00 C ATOM 198 CD ARG A 16 9.026 -3.228 13.923 1.00 0.00 C ATOM 199 NE ARG A 16 9.894 -3.607 15.034 1.00 0.00 N ATOM 200 CZ ARG A 16 11.207 -3.403 15.044 1.00 0.00 C ATOM 201 NH1 ARG A 16 11.799 -2.828 14.007 1.00 0.00 N ATOM 202 NH2 ARG A 16 11.929 -3.775 16.093 1.00 0.00 N ATOM 0 H ARG A 16 7.213 -5.004 11.168 1.00 0.00 H new ATOM 0 HA ARG A 16 8.722 -3.567 9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.773 -2.574 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.053 -2.755 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.652 -4.972 12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.314 -4.417 12.681 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.188 -2.178 13.678 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.984 -3.328 14.227 1.00 0.00 H new ATOM 0 HE ARG A 16 9.469 -4.053 15.847 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.247 -2.541 13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.807 -2.672 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.476 -4.218 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.937 -3.618 16.100 1.00 0.00 H new ATOM 216 N GLN A 17 10.313 -6.058 10.759 1.00 0.00 N ATOM 217 CA GLN A 17 11.501 -6.899 10.677 1.00 0.00 C ATOM 218 C GLN A 17 11.479 -7.751 9.412 1.00 0.00 C ATOM 219 O GLN A 17 12.527 -8.122 8.884 1.00 0.00 O ATOM 220 CB GLN A 17 11.600 -7.799 11.910 1.00 0.00 C ATOM 221 CG GLN A 17 12.367 -7.170 13.062 1.00 0.00 C ATOM 222 CD GLN A 17 13.030 -8.201 13.954 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.403 -9.178 14.366 1.00 0.00 O ATOM 224 NE2 GLN A 17 14.305 -7.989 14.258 1.00 0.00 N ATOM 0 H GLN A 17 9.629 -6.361 11.452 1.00 0.00 H new ATOM 0 HA GLN A 17 12.374 -6.248 10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.595 -8.050 12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.085 -8.734 11.629 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.127 -6.498 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.686 -6.563 13.659 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.786 -7.166 13.895 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.804 -8.649 14.855 1.00 0.00 H new ATOM 233 N ARG A 18 10.278 -8.057 8.932 1.00 0.00 N ATOM 234 CA ARG A 18 10.120 -8.866 7.729 1.00 0.00 C ATOM 235 C ARG A 18 10.522 -8.077 6.486 1.00 0.00 C ATOM 236 O ARG A 18 11.194 -8.600 5.597 1.00 0.00 O ATOM 237 CB ARG A 18 8.672 -9.344 7.597 1.00 0.00 C ATOM 238 CG ARG A 18 8.365 -9.991 6.257 1.00 0.00 C ATOM 239 CD ARG A 18 7.073 -10.791 6.308 1.00 0.00 C ATOM 240 NE ARG A 18 7.274 -12.121 6.878 1.00 0.00 N ATOM 241 CZ ARG A 18 7.876 -13.114 6.232 1.00 0.00 C ATOM 242 NH1 ARG A 18 8.333 -12.927 5.001 1.00 0.00 N ATOM 243 NH2 ARG A 18 8.022 -14.295 6.817 1.00 0.00 N ATOM 0 H ARG A 18 9.401 -7.757 9.357 1.00 0.00 H new ATOM 0 HA ARG A 18 10.775 -9.733 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.460 -10.058 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.003 -8.496 7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.288 -9.221 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.188 -10.645 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.335 -10.250 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.666 -10.886 5.301 1.00 0.00 H new ATOM 0 HE ARG A 18 6.934 -12.297 7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.223 -12.020 4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.795 -13.691 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.672 -14.442 7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.484 -15.057 6.320 1.00 0.00 H new ATOM 257 N TYR A 19 10.105 -6.817 6.431 1.00 0.00 N ATOM 258 CA TYR A 19 10.419 -5.957 5.297 1.00 0.00 C ATOM 259 C TYR A 19 11.514 -4.957 5.657 1.00 0.00 C ATOM 260 O TYR A 19 11.697 -3.949 4.977 1.00 0.00 O ATOM 261 CB TYR A 19 9.166 -5.213 4.832 1.00 0.00 C ATOM 262 CG TYR A 19 8.084 -6.123 4.296 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.228 -6.758 3.069 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.919 -6.350 5.018 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.242 -7.590 2.575 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.928 -7.181 4.533 1.00 0.00 C ATOM 267 CZ TYR A 19 6.094 -7.799 3.311 1.00 0.00 C ATOM 268 OH TYR A 19 5.110 -8.628 2.824 1.00 0.00 O ATOM 0 H TYR A 19 9.549 -6.369 7.159 1.00 0.00 H new ATOM 0 HA TYR A 19 10.781 -6.588 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.765 -4.638 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.445 -4.499 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.126 -6.599 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.786 -5.868 5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.369 -8.074 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.028 -7.346 5.107 1.00 0.00 H new ATOM 0 HH TYR A 19 4.369 -8.668 3.465 1.00 0.00 H new ATOM 278 N ALA A 20 12.239 -5.247 6.732 1.00 0.00 N ATOM 279 CA ALA A 20 13.318 -4.376 7.183 1.00 0.00 C ATOM 280 C ALA A 20 14.463 -4.354 6.176 1.00 0.00 C ATOM 281 O ALA A 20 15.267 -3.422 6.156 1.00 0.00 O ATOM 282 CB ALA A 20 13.821 -4.822 8.547 1.00 0.00 C ATOM 0 H ALA A 20 12.099 -6.078 7.307 1.00 0.00 H new ATOM 0 HA ALA A 20 12.923 -3.363 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.626 -4.163 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.004 -4.779 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.193 -5.844 8.481 1.00 0.00 H new ATOM 288 N ASP A 21 14.531 -5.386 5.342 1.00 0.00 N ATOM 289 CA ASP A 21 15.578 -5.485 4.331 1.00 0.00 C ATOM 290 C ASP A 21 15.399 -4.416 3.258 1.00 0.00 C ATOM 291 O ASP A 21 16.374 -3.931 2.682 1.00 0.00 O ATOM 292 CB ASP A 21 15.569 -6.874 3.692 1.00 0.00 C ATOM 293 CG ASP A 21 14.442 -7.045 2.692 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.275 -7.144 3.125 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.727 -7.079 1.476 1.00 0.00 O ATOM 0 H ASP A 21 13.874 -6.166 5.346 1.00 0.00 H new ATOM 0 HA ASP A 21 16.539 -5.325 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.523 -7.047 3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.476 -7.629 4.473 1.00 0.00 H new ATOM 300 N LEU A 22 14.149 -4.055 2.992 1.00 0.00 N ATOM 301 CA LEU A 22 13.842 -3.044 1.986 1.00 0.00 C ATOM 302 C LEU A 22 14.674 -1.784 2.209 1.00 0.00 C ATOM 303 O LEU A 22 15.067 -1.460 3.330 1.00 0.00 O ATOM 304 CB LEU A 22 12.352 -2.698 2.020 1.00 0.00 C ATOM 305 CG LEU A 22 11.387 -3.881 1.943 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.951 -3.392 1.837 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.735 -4.778 0.765 1.00 0.00 C ATOM 0 H LEU A 22 13.331 -4.447 3.459 1.00 0.00 H new ATOM 0 HA LEU A 22 14.091 -3.453 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.148 -2.148 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.137 -2.025 1.190 1.00 0.00 H new ATOM 0 HG LEU A 22 11.484 -4.464 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.278 -4.248 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.705 -2.792 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.839 -2.785 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.037 -5.615 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.667 -4.206 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.750 -5.157 0.884 1.00 0.00 H new ATOM 319 N PRO A 23 14.947 -1.055 1.117 1.00 0.00 N ATOM 320 CA PRO A 23 15.732 0.182 1.167 1.00 0.00 C ATOM 321 C PRO A 23 14.982 1.317 1.858 1.00 0.00 C ATOM 322 O PRO A 23 15.518 1.979 2.745 1.00 0.00 O ATOM 323 CB PRO A 23 15.964 0.515 -0.308 1.00 0.00 C ATOM 324 CG PRO A 23 14.832 -0.133 -1.026 1.00 0.00 C ATOM 325 CD PRO A 23 14.510 -1.381 -0.251 1.00 0.00 C ATOM 0 HA PRO A 23 16.651 0.058 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.973 1.592 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.924 0.131 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.969 0.531 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.107 -0.372 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.446 -1.614 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.040 -2.248 -0.646 1.00 0.00 H new ATOM 333 N GLY A 24 13.737 1.535 1.444 1.00 0.00 N ATOM 334 CA GLY A 24 12.934 2.590 2.034 1.00 0.00 C ATOM 335 C GLY A 24 12.635 2.342 3.499 1.00 0.00 C ATOM 336 O GLY A 24 13.361 1.609 4.170 1.00 0.00 O ATOM 0 H GLY A 24 13.271 1.000 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.456 3.541 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.996 2.679 1.485 1.00 0.00 H new ATOM 340 N GLU A 25 11.565 2.954 3.996 1.00 0.00 N ATOM 341 CA GLU A 25 11.175 2.796 5.392 1.00 0.00 C ATOM 342 C GLU A 25 9.710 2.385 5.504 1.00 0.00 C ATOM 343 O GLU A 25 8.832 2.999 4.897 1.00 0.00 O ATOM 344 CB GLU A 25 11.411 4.098 6.160 1.00 0.00 C ATOM 345 CG GLU A 25 11.581 3.899 7.657 1.00 0.00 C ATOM 346 CD GLU A 25 12.352 5.029 8.312 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.596 4.941 8.376 1.00 0.00 O ATOM 348 OE2 GLU A 25 11.710 6.002 8.760 1.00 0.00 O ATOM 0 H GLU A 25 10.953 3.563 3.453 1.00 0.00 H new ATOM 0 HA GLU A 25 11.790 2.008 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.301 4.588 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.572 4.771 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.599 3.817 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.100 2.958 7.838 1.00 0.00 H new ATOM 355 N LEU A 26 9.454 1.340 6.285 1.00 0.00 N ATOM 356 CA LEU A 26 8.095 0.845 6.477 1.00 0.00 C ATOM 357 C LEU A 26 7.245 1.865 7.227 1.00 0.00 C ATOM 358 O LEU A 26 7.639 2.362 8.282 1.00 0.00 O ATOM 359 CB LEU A 26 8.118 -0.479 7.244 1.00 0.00 C ATOM 360 CG LEU A 26 6.887 -1.371 7.080 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.995 -2.203 5.812 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.713 -2.268 8.297 1.00 0.00 C ATOM 0 H LEU A 26 10.169 0.820 6.795 1.00 0.00 H new ATOM 0 HA LEU A 26 7.651 0.682 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.996 -1.043 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.244 -0.260 8.304 1.00 0.00 H new ATOM 0 HG LEU A 26 6.008 -0.732 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.110 -2.831 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.070 -1.542 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.883 -2.833 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.832 -2.896 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.594 -2.899 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.588 -1.652 9.188 1.00 0.00 H new ATOM 374 N HIS A 27 6.074 2.171 6.676 1.00 0.00 N ATOM 375 CA HIS A 27 5.166 3.130 7.294 1.00 0.00 C ATOM 376 C HIS A 27 3.739 2.591 7.315 1.00 0.00 C ATOM 377 O HIS A 27 3.045 2.605 6.298 1.00 0.00 O ATOM 378 CB HIS A 27 5.209 4.462 6.545 1.00 0.00 C ATOM 379 CG HIS A 27 6.264 5.399 7.049 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.032 6.331 8.039 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.562 5.543 6.695 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.142 7.009 8.271 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.086 6.550 7.469 1.00 0.00 N ATOM 0 H HIS A 27 5.732 1.769 5.803 1.00 0.00 H new ATOM 0 HA HIS A 27 5.491 3.290 8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.382 4.269 5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.236 4.946 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.088 4.973 5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.258 7.803 8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.048 6.888 7.431 1.00 0.00 H new ATOM 392 N ILE A 28 3.308 2.117 8.479 1.00 0.00 N ATOM 393 CA ILE A 28 1.964 1.574 8.632 1.00 0.00 C ATOM 394 C ILE A 28 0.999 2.633 9.153 1.00 0.00 C ATOM 395 O ILE A 28 1.093 3.061 10.304 1.00 0.00 O ATOM 396 CB ILE A 28 1.949 0.367 9.589 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.961 -0.686 9.132 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.552 -0.230 9.667 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.354 -1.659 10.222 1.00 0.00 C ATOM 0 H ILE A 28 3.870 2.098 9.330 1.00 0.00 H new ATOM 0 HA ILE A 28 1.642 1.247 7.643 1.00 0.00 H new ATOM 0 HB ILE A 28 2.233 0.708 10.585 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.541 -1.242 8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.856 -0.183 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.558 -1.082 10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.145 0.523 10.034 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.241 -0.559 8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.073 -2.376 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.803 -1.114 11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.469 -2.189 10.573 1.00 0.00 H new ATOM 411 N ILE A 29 0.070 3.051 8.299 1.00 0.00 N ATOM 412 CA ILE A 29 -0.914 4.058 8.674 1.00 0.00 C ATOM 413 C ILE A 29 -2.334 3.520 8.530 1.00 0.00 C ATOM 414 O ILE A 29 -2.627 2.756 7.611 1.00 0.00 O ATOM 415 CB ILE A 29 -0.771 5.331 7.819 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.145 5.041 6.365 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.648 5.872 7.909 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.364 6.287 5.536 1.00 0.00 C ATOM 0 H ILE A 29 -0.021 2.707 7.343 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.727 4.308 9.718 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.453 6.088 8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.356 4.445 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.052 4.438 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.734 6.772 7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.880 6.113 8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.348 5.120 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.626 6.004 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.174 6.874 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.450 6.881 5.524 1.00 0.00 H new ATOM 430 N GLU A 30 -3.210 3.926 9.443 1.00 0.00 N ATOM 431 CA GLU A 30 -4.600 3.484 9.417 1.00 0.00 C ATOM 432 C GLU A 30 -5.494 4.542 8.776 1.00 0.00 C ATOM 433 O GLU A 30 -5.623 5.655 9.288 1.00 0.00 O ATOM 434 CB GLU A 30 -5.088 3.178 10.834 1.00 0.00 C ATOM 435 CG GLU A 30 -4.860 1.737 11.258 1.00 0.00 C ATOM 436 CD GLU A 30 -4.672 1.592 12.756 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.239 2.413 13.506 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.958 0.658 13.177 1.00 0.00 O ATOM 0 H GLU A 30 -2.983 4.560 10.209 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.655 2.575 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.579 3.839 11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.153 3.403 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.709 1.131 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.981 1.346 10.746 1.00 0.00 H new ATOM 445 N LEU A 31 -6.109 4.187 7.654 1.00 0.00 N ATOM 446 CA LEU A 31 -6.992 5.104 6.942 1.00 0.00 C ATOM 447 C LEU A 31 -8.412 4.552 6.874 1.00 0.00 C ATOM 448 O LEU A 31 -8.636 3.451 6.373 1.00 0.00 O ATOM 449 CB LEU A 31 -6.464 5.358 5.529 1.00 0.00 C ATOM 450 CG LEU A 31 -4.972 5.674 5.417 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.523 5.623 3.965 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.667 7.035 6.024 1.00 0.00 C ATOM 0 H LEU A 31 -6.013 3.270 7.217 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.014 6.046 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.676 4.479 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.024 6.187 5.097 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.418 4.918 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.459 5.851 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.704 4.626 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.084 6.356 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.601 7.242 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.231 7.804 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.950 7.036 7.077 1.00 0.00 H new ATOM 464 N GLU A 32 -9.367 5.325 7.381 1.00 0.00 N ATOM 465 CA GLU A 32 -10.766 4.913 7.376 1.00 0.00 C ATOM 466 C GLU A 32 -11.423 5.230 6.036 1.00 0.00 C ATOM 467 O GLU A 32 -11.627 6.395 5.691 1.00 0.00 O ATOM 468 CB GLU A 32 -11.529 5.606 8.507 1.00 0.00 C ATOM 469 CG GLU A 32 -12.688 4.787 9.051 1.00 0.00 C ATOM 470 CD GLU A 32 -13.664 5.621 9.857 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.206 6.420 10.702 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.886 5.475 9.644 1.00 0.00 O ATOM 0 H GLU A 32 -9.198 6.239 7.800 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.800 3.835 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.837 5.825 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.909 6.562 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.216 4.317 8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.298 3.984 9.677 1.00 0.00 H new ATOM 479 N LYS A 33 -11.750 4.186 5.282 1.00 0.00 N ATOM 480 CA LYS A 33 -12.384 4.351 3.980 1.00 0.00 C ATOM 481 C LYS A 33 -13.333 5.545 3.984 1.00 0.00 C ATOM 482 O LYS A 33 -14.264 5.607 4.787 1.00 0.00 O ATOM 483 CB LYS A 33 -13.147 3.081 3.596 1.00 0.00 C ATOM 484 CG LYS A 33 -12.245 1.894 3.304 1.00 0.00 C ATOM 485 CD LYS A 33 -12.897 0.923 2.335 1.00 0.00 C ATOM 486 CE LYS A 33 -13.847 -0.025 3.050 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.211 0.556 3.190 1.00 0.00 N ATOM 0 H LYS A 33 -11.586 3.216 5.551 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.601 4.534 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.829 2.818 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.759 3.286 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.302 2.247 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.009 1.378 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.442 1.479 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.127 0.348 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.907 -0.963 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.450 -0.261 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.484 0.563 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.213 1.529 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.890 -0.018 2.650 1.00 0.00 H new ATOM 501 N ASP A 34 -13.093 6.489 3.080 1.00 0.00 N ATOM 502 CA ASP A 34 -13.928 7.680 2.978 1.00 0.00 C ATOM 503 C ASP A 34 -15.211 7.380 2.208 1.00 0.00 C ATOM 504 O ASP A 34 -15.420 6.260 1.742 1.00 0.00 O ATOM 505 CB ASP A 34 -13.160 8.810 2.292 1.00 0.00 C ATOM 506 CG ASP A 34 -13.776 10.171 2.554 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.078 10.470 3.728 1.00 0.00 O ATOM 508 OD2 ASP A 34 -13.955 10.937 1.584 1.00 0.00 O ATOM 0 H ASP A 34 -12.327 6.452 2.407 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.196 7.993 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.128 8.808 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.133 8.627 1.218 1.00 0.00 H new ATOM 513 N LYS A 35 -16.068 8.387 2.081 1.00 0.00 N ATOM 514 CA LYS A 35 -17.330 8.233 1.368 1.00 0.00 C ATOM 515 C LYS A 35 -17.166 7.312 0.163 1.00 0.00 C ATOM 516 O LYS A 35 -18.091 6.593 -0.211 1.00 0.00 O ATOM 517 CB LYS A 35 -17.853 9.597 0.913 1.00 0.00 C ATOM 518 CG LYS A 35 -18.093 10.569 2.056 1.00 0.00 C ATOM 519 CD LYS A 35 -19.199 11.556 1.726 1.00 0.00 C ATOM 520 CE LYS A 35 -20.567 10.892 1.757 1.00 0.00 C ATOM 521 NZ LYS A 35 -21.667 11.890 1.857 1.00 0.00 N ATOM 0 H LYS A 35 -15.911 9.320 2.463 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.051 7.784 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.139 10.037 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.785 9.455 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.356 10.015 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.173 11.112 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.177 12.380 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.024 11.984 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.701 10.294 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.619 10.208 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.582 11.397 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.555 12.444 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.633 12.527 1.036 1.00 0.00 H new ATOM 535 N ASN A 36 -15.981 7.340 -0.440 1.00 0.00 N ATOM 536 CA ASN A 36 -15.696 6.507 -1.603 1.00 0.00 C ATOM 537 C ASN A 36 -14.728 5.385 -1.243 1.00 0.00 C ATOM 538 O ASN A 36 -14.835 4.271 -1.754 1.00 0.00 O ATOM 539 CB ASN A 36 -15.112 7.357 -2.733 1.00 0.00 C ATOM 540 CG ASN A 36 -16.185 8.064 -3.539 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.501 7.664 -4.659 1.00 0.00 O ATOM 542 ND2 ASN A 36 -16.750 9.122 -2.969 1.00 0.00 N ATOM 0 H ASN A 36 -15.204 7.930 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.632 6.061 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.431 8.097 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.524 6.722 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.478 9.639 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.456 9.418 -2.038 1.00 0.00 H new ATOM 549 N GLY A 37 -13.782 5.687 -0.358 1.00 0.00 N ATOM 550 CA GLY A 37 -12.809 4.693 0.055 1.00 0.00 C ATOM 551 C GLY A 37 -11.381 5.178 -0.102 1.00 0.00 C ATOM 552 O GLY A 37 -11.145 6.351 -0.396 1.00 0.00 O ATOM 0 H GLY A 37 -13.673 6.602 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.986 4.427 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.948 3.786 -0.534 1.00 0.00 H new ATOM 556 N LEU A 38 -10.426 4.277 0.096 1.00 0.00 N ATOM 557 CA LEU A 38 -9.013 4.619 -0.024 1.00 0.00 C ATOM 558 C LEU A 38 -8.643 4.901 -1.477 1.00 0.00 C ATOM 559 O LEU A 38 -8.168 4.018 -2.190 1.00 0.00 O ATOM 560 CB LEU A 38 -8.145 3.486 0.525 1.00 0.00 C ATOM 561 CG LEU A 38 -8.614 2.856 1.837 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.777 1.631 2.170 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.551 3.871 2.968 1.00 0.00 C ATOM 0 H LEU A 38 -10.604 3.303 0.341 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.832 5.522 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.086 2.702 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.134 3.867 0.669 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.650 2.540 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.125 1.196 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.874 0.896 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.731 1.921 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.888 3.405 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.525 4.218 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.195 4.718 2.733 1.00 0.00 H new ATOM 575 N GLY A 39 -8.862 6.140 -1.909 1.00 0.00 N ATOM 576 CA GLY A 39 -8.544 6.516 -3.274 1.00 0.00 C ATOM 577 C GLY A 39 -7.051 6.627 -3.511 1.00 0.00 C ATOM 578 O GLY A 39 -6.411 7.576 -3.056 1.00 0.00 O ATOM 0 H GLY A 39 -9.254 6.889 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.964 5.778 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.017 7.470 -3.505 1.00 0.00 H new ATOM 582 N LEU A 40 -6.493 5.656 -4.225 1.00 0.00 N ATOM 583 CA LEU A 40 -5.065 5.647 -4.521 1.00 0.00 C ATOM 584 C LEU A 40 -4.800 5.074 -5.910 1.00 0.00 C ATOM 585 O LEU A 40 -5.352 4.038 -6.280 1.00 0.00 O ATOM 586 CB LEU A 40 -4.311 4.832 -3.469 1.00 0.00 C ATOM 587 CG LEU A 40 -4.325 5.395 -2.047 1.00 0.00 C ATOM 588 CD1 LEU A 40 -3.957 4.315 -1.042 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.377 6.579 -1.933 1.00 0.00 C ATOM 0 H LEU A 40 -7.008 4.864 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.708 6.677 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.734 3.828 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.274 4.734 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.334 5.741 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.972 4.734 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.676 3.498 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.959 3.937 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.400 6.967 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.364 6.259 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.687 7.361 -2.626 1.00 0.00 H new ATOM 601 N SER A 41 -3.951 5.755 -6.674 1.00 0.00 N ATOM 602 CA SER A 41 -3.615 5.315 -8.022 1.00 0.00 C ATOM 603 C SER A 41 -2.514 4.258 -7.990 1.00 0.00 C ATOM 604 O SER A 41 -1.383 4.535 -7.587 1.00 0.00 O ATOM 605 CB SER A 41 -3.170 6.505 -8.874 1.00 0.00 C ATOM 606 OG SER A 41 -4.282 7.276 -9.294 1.00 0.00 O ATOM 0 H SER A 41 -3.484 6.613 -6.382 1.00 0.00 H new ATOM 0 HA SER A 41 -4.507 4.873 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.485 7.131 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.622 6.147 -9.745 1.00 0.00 H new ATOM 0 HG SER A 41 -3.971 8.031 -9.835 1.00 0.00 H new ATOM 612 N LEU A 42 -2.853 3.047 -8.417 1.00 0.00 N ATOM 613 CA LEU A 42 -1.895 1.947 -8.438 1.00 0.00 C ATOM 614 C LEU A 42 -1.457 1.634 -9.865 1.00 0.00 C ATOM 615 O LEU A 42 -2.249 1.723 -10.802 1.00 0.00 O ATOM 616 CB LEU A 42 -2.505 0.701 -7.794 1.00 0.00 C ATOM 617 CG LEU A 42 -3.149 0.901 -6.422 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.845 -0.373 -5.968 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.106 1.333 -5.401 1.00 0.00 C ATOM 0 H LEU A 42 -3.784 2.802 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.018 2.251 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.258 0.298 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.724 -0.054 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.897 1.690 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.297 -0.212 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.620 -0.640 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.117 -1.182 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.582 1.471 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.335 0.566 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.653 2.272 -5.719 1.00 0.00 H new ATOM 631 N ALA A 43 -0.189 1.265 -10.021 1.00 0.00 N ATOM 632 CA ALA A 43 0.353 0.934 -11.333 1.00 0.00 C ATOM 633 C ALA A 43 1.484 -0.083 -11.219 1.00 0.00 C ATOM 634 O ALA A 43 2.505 0.178 -10.583 1.00 0.00 O ATOM 635 CB ALA A 43 0.841 2.192 -12.035 1.00 0.00 C ATOM 0 H ALA A 43 0.481 1.188 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.445 0.487 -11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.243 1.930 -13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.009 2.886 -12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.621 2.663 -11.437 1.00 0.00 H new ATOM 641 N GLY A 44 1.295 -1.244 -11.838 1.00 0.00 N ATOM 642 CA GLY A 44 2.307 -2.283 -11.793 1.00 0.00 C ATOM 643 C GLY A 44 3.701 -1.745 -12.046 1.00 0.00 C ATOM 644 O GLY A 44 3.863 -0.661 -12.605 1.00 0.00 O ATOM 0 H GLY A 44 0.459 -1.484 -12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.280 -2.770 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.074 -3.045 -12.537 1.00 0.00 H new ATOM 648 N ASN A 45 4.711 -2.504 -11.633 1.00 0.00 N ATOM 649 CA ASN A 45 6.099 -2.096 -11.817 1.00 0.00 C ATOM 650 C ASN A 45 6.421 -1.910 -13.296 1.00 0.00 C ATOM 651 O ASN A 45 5.908 -2.635 -14.150 1.00 0.00 O ATOM 652 CB ASN A 45 7.043 -3.133 -11.205 1.00 0.00 C ATOM 653 CG ASN A 45 8.503 -2.781 -11.413 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.022 -2.873 -12.526 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.173 -2.376 -10.341 1.00 0.00 N ATOM 0 H ASN A 45 4.594 -3.405 -11.169 1.00 0.00 H new ATOM 0 HA ASN A 45 6.240 -1.141 -11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.841 -3.218 -10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.841 -4.109 -11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.159 -2.126 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.702 -2.315 -9.438 1.00 0.00 H new ATOM 662 N LYS A 46 7.273 -0.935 -13.593 1.00 0.00 N ATOM 663 CA LYS A 46 7.665 -0.654 -14.969 1.00 0.00 C ATOM 664 C LYS A 46 7.797 -1.945 -15.772 1.00 0.00 C ATOM 665 O LYS A 46 7.252 -2.062 -16.869 1.00 0.00 O ATOM 666 CB LYS A 46 8.989 0.113 -14.997 1.00 0.00 C ATOM 667 CG LYS A 46 8.836 1.600 -14.725 1.00 0.00 C ATOM 668 CD LYS A 46 10.178 2.312 -14.748 1.00 0.00 C ATOM 669 CE LYS A 46 10.011 3.820 -14.642 1.00 0.00 C ATOM 670 NZ LYS A 46 9.722 4.441 -15.964 1.00 0.00 N ATOM 0 H LYS A 46 7.706 -0.326 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 46 6.887 -0.041 -15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.664 -0.316 -14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.458 -0.023 -15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.176 2.041 -15.472 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.362 1.746 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.795 1.954 -13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.705 2.067 -15.670 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.201 4.048 -13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.919 4.257 -14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.615 5.469 -15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.507 4.246 -16.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.842 4.043 -16.350 1.00 0.00 H new ATOM 684 N ASP A 47 8.522 -2.910 -15.217 1.00 0.00 N ATOM 685 CA ASP A 47 8.723 -4.193 -15.881 1.00 0.00 C ATOM 686 C ASP A 47 7.569 -5.145 -15.582 1.00 0.00 C ATOM 687 O ASP A 47 7.433 -5.639 -14.463 1.00 0.00 O ATOM 688 CB ASP A 47 10.046 -4.819 -15.437 1.00 0.00 C ATOM 689 CG ASP A 47 11.250 -4.083 -15.991 1.00 0.00 C ATOM 690 OD1 ASP A 47 11.535 -4.237 -17.197 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.908 -3.355 -15.219 1.00 0.00 O ATOM 0 H ASP A 47 8.980 -2.828 -14.309 1.00 0.00 H new ATOM 0 HA ASP A 47 8.756 -4.018 -16.956 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.095 -4.823 -14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.079 -5.859 -15.761 1.00 0.00 H new ATOM 696 N ARG A 48 6.741 -5.397 -16.591 1.00 0.00 N ATOM 697 CA ARG A 48 5.597 -6.288 -16.436 1.00 0.00 C ATOM 698 C ARG A 48 6.003 -7.573 -15.720 1.00 0.00 C ATOM 699 O ARG A 48 5.393 -7.959 -14.723 1.00 0.00 O ATOM 700 CB ARG A 48 4.994 -6.620 -17.801 1.00 0.00 C ATOM 701 CG ARG A 48 3.838 -7.605 -17.733 1.00 0.00 C ATOM 702 CD ARG A 48 2.510 -6.891 -17.529 1.00 0.00 C ATOM 703 NE ARG A 48 1.385 -7.673 -18.036 1.00 0.00 N ATOM 704 CZ ARG A 48 0.165 -7.177 -18.208 1.00 0.00 C ATOM 705 NH1 ARG A 48 -0.087 -5.909 -17.915 1.00 0.00 N ATOM 706 NH2 ARG A 48 -0.807 -7.952 -18.674 1.00 0.00 N ATOM 0 H ARG A 48 6.841 -4.997 -17.524 1.00 0.00 H new ATOM 0 HA ARG A 48 4.848 -5.776 -15.831 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.648 -5.699 -18.270 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.773 -7.031 -18.443 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.801 -8.189 -18.653 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.004 -8.307 -16.916 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.364 -6.693 -16.467 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.537 -5.925 -18.033 1.00 0.00 H new ATOM 0 HE ARG A 48 1.545 -8.653 -18.271 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.657 -5.311 -17.556 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.025 -5.531 -18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.617 -8.928 -18.900 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.744 -7.571 -18.806 1.00 0.00 H new ATOM 720 N SER A 49 7.035 -8.232 -16.237 1.00 0.00 N ATOM 721 CA SER A 49 7.519 -9.476 -15.651 1.00 0.00 C ATOM 722 C SER A 49 7.436 -9.427 -14.128 1.00 0.00 C ATOM 723 O SER A 49 7.104 -10.420 -13.482 1.00 0.00 O ATOM 724 CB SER A 49 8.961 -9.742 -16.086 1.00 0.00 C ATOM 725 OG SER A 49 9.012 -10.214 -17.421 1.00 0.00 O ATOM 0 H SER A 49 7.552 -7.925 -17.061 1.00 0.00 H new ATOM 0 HA SER A 49 6.884 -10.288 -16.006 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.545 -8.826 -15.998 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.416 -10.475 -15.420 1.00 0.00 H new ATOM 0 HG SER A 49 9.945 -10.375 -17.676 1.00 0.00 H new ATOM 731 N ARG A 50 7.741 -8.264 -13.562 1.00 0.00 N ATOM 732 CA ARG A 50 7.703 -8.085 -12.116 1.00 0.00 C ATOM 733 C ARG A 50 6.276 -7.837 -11.637 1.00 0.00 C ATOM 734 O ARG A 50 5.488 -7.177 -12.315 1.00 0.00 O ATOM 735 CB ARG A 50 8.601 -6.918 -11.701 1.00 0.00 C ATOM 736 CG ARG A 50 10.074 -7.285 -11.612 1.00 0.00 C ATOM 737 CD ARG A 50 10.923 -6.088 -11.214 1.00 0.00 C ATOM 738 NE ARG A 50 12.320 -6.456 -10.998 1.00 0.00 N ATOM 739 CZ ARG A 50 12.736 -7.187 -9.970 1.00 0.00 C ATOM 740 NH1 ARG A 50 11.868 -7.626 -9.070 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.024 -7.480 -9.841 1.00 0.00 N ATOM 0 H ARG A 50 8.017 -7.432 -14.083 1.00 0.00 H new ATOM 0 HA ARG A 50 8.071 -9.000 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.480 -6.105 -12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.270 -6.542 -10.733 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.207 -8.085 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.413 -7.669 -12.574 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.865 -5.327 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.520 -5.644 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 50 13.014 -6.134 -11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.877 -7.403 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.191 -8.187 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.695 -7.144 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.343 -8.041 -9.051 1.00 0.00 H new ATOM 755 N MET A 51 5.950 -8.370 -10.464 1.00 0.00 N ATOM 756 CA MET A 51 4.618 -8.206 -9.894 1.00 0.00 C ATOM 757 C MET A 51 4.682 -7.447 -8.572 1.00 0.00 C ATOM 758 O MET A 51 4.911 -8.037 -7.517 1.00 0.00 O ATOM 759 CB MET A 51 3.959 -9.570 -9.680 1.00 0.00 C ATOM 760 CG MET A 51 2.519 -9.482 -9.201 1.00 0.00 C ATOM 761 SD MET A 51 1.340 -9.387 -10.562 1.00 0.00 S ATOM 762 CE MET A 51 1.294 -7.619 -10.848 1.00 0.00 C ATOM 0 H MET A 51 6.590 -8.919 -9.890 1.00 0.00 H new ATOM 0 HA MET A 51 4.019 -7.627 -10.597 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.988 -10.129 -10.615 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.541 -10.135 -8.952 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.290 -10.353 -8.587 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.405 -8.605 -8.564 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.306 -7.334 -11.209 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.505 -7.094 -9.916 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.043 -7.351 -11.593 1.00 0.00 H new ATOM 772 N SER A 52 4.478 -6.135 -8.638 1.00 0.00 N ATOM 773 CA SER A 52 4.517 -5.295 -7.447 1.00 0.00 C ATOM 774 C SER A 52 3.566 -4.109 -7.587 1.00 0.00 C ATOM 775 O SER A 52 3.382 -3.573 -8.680 1.00 0.00 O ATOM 776 CB SER A 52 5.940 -4.794 -7.196 1.00 0.00 C ATOM 777 OG SER A 52 6.675 -5.718 -6.411 1.00 0.00 O ATOM 0 H SER A 52 4.284 -5.631 -9.503 1.00 0.00 H new ATOM 0 HA SER A 52 4.197 -5.898 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.447 -4.637 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.905 -3.829 -6.690 1.00 0.00 H new ATOM 0 HG SER A 52 6.333 -6.623 -6.566 1.00 0.00 H new ATOM 783 N ILE A 53 2.966 -3.706 -6.472 1.00 0.00 N ATOM 784 CA ILE A 53 2.035 -2.584 -6.470 1.00 0.00 C ATOM 785 C ILE A 53 2.698 -1.322 -5.928 1.00 0.00 C ATOM 786 O ILE A 53 3.459 -1.373 -4.961 1.00 0.00 O ATOM 787 CB ILE A 53 0.782 -2.894 -5.630 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.129 -4.192 -6.109 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.205 -1.738 -5.705 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.854 -4.775 -5.118 1.00 0.00 C ATOM 0 H ILE A 53 3.108 -4.139 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 53 1.736 -2.419 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 53 1.082 -3.023 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.386 -4.004 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.907 -4.928 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.085 -1.972 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.265 -0.833 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.503 -1.580 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.278 -5.694 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.340 -4.995 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.653 -4.057 -4.933 1.00 0.00 H new ATOM 802 N PHE A 54 2.401 -0.188 -6.555 1.00 0.00 N ATOM 803 CA PHE A 54 2.967 1.088 -6.135 1.00 0.00 C ATOM 804 C PHE A 54 1.900 2.179 -6.125 1.00 0.00 C ATOM 805 O PHE A 54 0.754 1.946 -6.509 1.00 0.00 O ATOM 806 CB PHE A 54 4.115 1.491 -7.063 1.00 0.00 C ATOM 807 CG PHE A 54 5.313 0.591 -6.960 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.150 0.653 -5.858 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.602 -0.317 -7.966 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.253 -0.174 -5.760 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.703 -1.147 -7.873 1.00 0.00 C ATOM 812 CZ PHE A 54 7.531 -1.075 -6.769 1.00 0.00 C ATOM 0 H PHE A 54 1.772 -0.127 -7.355 1.00 0.00 H new ATOM 0 HA PHE A 54 3.352 0.971 -5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.757 1.490 -8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.417 2.513 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.938 1.356 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.960 -0.377 -8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.897 -0.116 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.916 -1.852 -8.663 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.393 -1.721 -6.695 1.00 0.00 H new ATOM 822 N VAL A 55 2.286 3.372 -5.683 1.00 0.00 N ATOM 823 CA VAL A 55 1.364 4.500 -5.623 1.00 0.00 C ATOM 824 C VAL A 55 1.858 5.660 -6.480 1.00 0.00 C ATOM 825 O VAL A 55 2.803 6.358 -6.113 1.00 0.00 O ATOM 826 CB VAL A 55 1.171 4.990 -4.176 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.256 6.205 -4.141 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.620 3.873 -3.303 1.00 0.00 C ATOM 0 H VAL A 55 3.231 3.582 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 55 0.408 4.148 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 55 2.142 5.284 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.131 6.537 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.696 7.009 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.716 5.940 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.490 4.238 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.342 3.545 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.317 3.035 -3.302 1.00 0.00 H new ATOM 838 N VAL A 56 1.211 5.861 -7.624 1.00 0.00 N ATOM 839 CA VAL A 56 1.583 6.938 -8.533 1.00 0.00 C ATOM 840 C VAL A 56 0.612 8.108 -8.425 1.00 0.00 C ATOM 841 O VAL A 56 0.654 9.039 -9.229 1.00 0.00 O ATOM 842 CB VAL A 56 1.623 6.451 -9.994 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.432 5.168 -10.107 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.212 6.249 -10.526 1.00 0.00 C ATOM 0 H VAL A 56 0.427 5.292 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 56 2.580 7.269 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 56 2.110 7.214 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.449 4.839 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.452 5.350 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.976 4.395 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.259 5.905 -11.559 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.303 5.505 -9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.332 7.193 -10.482 1.00 0.00 H new ATOM 854 N GLY A 57 -0.262 8.055 -7.425 1.00 0.00 N ATOM 855 CA GLY A 57 -1.232 9.117 -7.230 1.00 0.00 C ATOM 856 C GLY A 57 -2.043 8.935 -5.962 1.00 0.00 C ATOM 857 O GLY A 57 -2.219 7.814 -5.485 1.00 0.00 O ATOM 0 H GLY A 57 -0.316 7.296 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.714 10.075 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.905 9.152 -8.087 1.00 0.00 H new ATOM 861 N ILE A 58 -2.537 10.040 -5.415 1.00 0.00 N ATOM 862 CA ILE A 58 -3.334 9.997 -4.195 1.00 0.00 C ATOM 863 C ILE A 58 -4.576 10.873 -4.318 1.00 0.00 C ATOM 864 O ILE A 58 -4.515 12.085 -4.118 1.00 0.00 O ATOM 865 CB ILE A 58 -2.516 10.455 -2.972 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.316 9.530 -2.759 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.394 10.487 -1.730 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.384 9.993 -1.661 1.00 0.00 C ATOM 0 H ILE A 58 -2.400 10.976 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.637 8.960 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.146 11.463 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.677 8.529 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.756 9.453 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.802 10.812 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.219 11.182 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.790 9.490 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.443 9.290 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.006 10.981 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.929 10.042 -0.718 1.00 0.00 H new ATOM 880 N ASN A 59 -5.703 10.250 -4.647 1.00 0.00 N ATOM 881 CA ASN A 59 -6.961 10.972 -4.796 1.00 0.00 C ATOM 882 C ASN A 59 -7.146 11.980 -3.666 1.00 0.00 C ATOM 883 O ASN A 59 -7.148 11.632 -2.485 1.00 0.00 O ATOM 884 CB ASN A 59 -8.136 9.993 -4.819 1.00 0.00 C ATOM 885 CG ASN A 59 -9.309 10.516 -5.624 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.892 11.549 -5.293 1.00 0.00 O ATOM 887 ND2 ASN A 59 -9.662 9.804 -6.688 1.00 0.00 N ATOM 0 H ASN A 59 -5.771 9.246 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.931 11.514 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.806 9.043 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.460 9.794 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.444 10.107 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.151 8.954 -6.925 1.00 0.00 H new ATOM 894 N PRO A 60 -7.307 13.259 -4.034 1.00 0.00 N ATOM 895 CA PRO A 60 -7.497 14.344 -3.067 1.00 0.00 C ATOM 896 C PRO A 60 -8.854 14.271 -2.374 1.00 0.00 C ATOM 897 O PRO A 60 -9.129 15.034 -1.448 1.00 0.00 O ATOM 898 CB PRO A 60 -7.403 15.607 -3.926 1.00 0.00 C ATOM 899 CG PRO A 60 -7.796 15.165 -5.293 1.00 0.00 C ATOM 900 CD PRO A 60 -7.315 13.746 -5.424 1.00 0.00 C ATOM 0 HA PRO A 60 -6.763 14.305 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.067 16.388 -3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.393 16.017 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.876 15.225 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.345 15.802 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.979 13.153 -6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.323 13.698 -5.872 1.00 0.00 H new ATOM 908 N GLU A 61 -9.696 13.349 -2.828 1.00 0.00 N ATOM 909 CA GLU A 61 -11.024 13.178 -2.251 1.00 0.00 C ATOM 910 C GLU A 61 -11.055 11.985 -1.300 1.00 0.00 C ATOM 911 O GLU A 61 -11.979 11.837 -0.501 1.00 0.00 O ATOM 912 CB GLU A 61 -12.065 12.989 -3.357 1.00 0.00 C ATOM 913 CG GLU A 61 -12.100 14.130 -4.360 1.00 0.00 C ATOM 914 CD GLU A 61 -12.692 13.715 -5.694 1.00 0.00 C ATOM 915 OE1 GLU A 61 -13.931 13.773 -5.836 1.00 0.00 O ATOM 916 OE2 GLU A 61 -11.916 13.333 -6.594 1.00 0.00 O ATOM 0 H GLU A 61 -9.483 12.709 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.264 14.078 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.857 12.058 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.050 12.885 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.683 14.953 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.088 14.503 -4.516 1.00 0.00 H new ATOM 923 N GLY A 62 -10.036 11.135 -1.393 1.00 0.00 N ATOM 924 CA GLY A 62 -9.965 9.966 -0.536 1.00 0.00 C ATOM 925 C GLY A 62 -9.375 10.278 0.824 1.00 0.00 C ATOM 926 O GLY A 62 -9.004 11.415 1.117 1.00 0.00 O ATOM 0 H GLY A 62 -9.259 11.235 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.965 9.552 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.362 9.199 -1.023 1.00 0.00 H new ATOM 930 N PRO A 63 -9.282 9.252 1.683 1.00 0.00 N ATOM 931 CA PRO A 63 -8.734 9.399 3.035 1.00 0.00 C ATOM 932 C PRO A 63 -7.231 9.655 3.027 1.00 0.00 C ATOM 933 O PRO A 63 -6.749 10.594 3.659 1.00 0.00 O ATOM 934 CB PRO A 63 -9.044 8.051 3.691 1.00 0.00 C ATOM 935 CG PRO A 63 -9.140 7.091 2.556 1.00 0.00 C ATOM 936 CD PRO A 63 -9.705 7.870 1.401 1.00 0.00 C ATOM 0 HA PRO A 63 -9.164 10.253 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.259 7.761 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.975 8.090 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.161 6.681 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.783 6.249 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.313 7.516 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.790 7.784 1.351 1.00 0.00 H new ATOM 944 N ALA A 64 -6.496 8.814 2.307 1.00 0.00 N ATOM 945 CA ALA A 64 -5.048 8.952 2.214 1.00 0.00 C ATOM 946 C ALA A 64 -4.644 10.415 2.064 1.00 0.00 C ATOM 947 O ALA A 64 -3.621 10.843 2.597 1.00 0.00 O ATOM 948 CB ALA A 64 -4.513 8.133 1.049 1.00 0.00 C ATOM 0 H ALA A 64 -6.880 8.030 1.780 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.612 8.575 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.430 8.246 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.761 7.082 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.964 8.483 0.121 1.00 0.00 H new ATOM 954 N ALA A 65 -5.453 11.176 1.335 1.00 0.00 N ATOM 955 CA ALA A 65 -5.180 12.591 1.116 1.00 0.00 C ATOM 956 C ALA A 65 -5.524 13.414 2.353 1.00 0.00 C ATOM 957 O ALA A 65 -4.801 14.342 2.713 1.00 0.00 O ATOM 958 CB ALA A 65 -5.957 13.098 -0.090 1.00 0.00 C ATOM 0 H ALA A 65 -6.303 10.836 0.886 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.114 12.704 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.744 14.156 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.660 12.537 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.025 12.964 0.083 1.00 0.00 H new ATOM 964 N ALA A 66 -6.632 13.067 3.000 1.00 0.00 N ATOM 965 CA ALA A 66 -7.070 13.773 4.197 1.00 0.00 C ATOM 966 C ALA A 66 -6.078 13.585 5.340 1.00 0.00 C ATOM 967 O ALA A 66 -5.690 14.547 6.003 1.00 0.00 O ATOM 968 CB ALA A 66 -8.454 13.297 4.614 1.00 0.00 C ATOM 0 H ALA A 66 -7.242 12.301 2.715 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.118 14.837 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.769 13.833 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.163 13.489 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.423 12.228 4.823 1.00 0.00 H new ATOM 974 N ASP A 67 -5.671 12.340 5.565 1.00 0.00 N ATOM 975 CA ASP A 67 -4.723 12.026 6.627 1.00 0.00 C ATOM 976 C ASP A 67 -3.396 12.742 6.401 1.00 0.00 C ATOM 977 O ASP A 67 -2.789 13.259 7.338 1.00 0.00 O ATOM 978 CB ASP A 67 -4.495 10.516 6.706 1.00 0.00 C ATOM 979 CG ASP A 67 -3.913 10.087 8.039 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.332 10.945 8.735 1.00 0.00 O ATOM 981 OD2 ASP A 67 -4.037 8.893 8.384 1.00 0.00 O ATOM 0 H ASP A 67 -5.983 11.532 5.026 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.145 12.372 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.441 10.000 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.823 10.211 5.904 1.00 0.00 H new ATOM 986 N GLY A 68 -2.949 12.768 5.149 1.00 0.00 N ATOM 987 CA GLY A 68 -1.695 13.422 4.822 1.00 0.00 C ATOM 988 C GLY A 68 -0.489 12.602 5.233 1.00 0.00 C ATOM 989 O GLY A 68 0.488 13.140 5.755 1.00 0.00 O ATOM 0 H GLY A 68 -3.433 12.348 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.655 13.608 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.656 14.393 5.316 1.00 0.00 H new ATOM 993 N ARG A 69 -0.556 11.295 4.999 1.00 0.00 N ATOM 994 CA ARG A 69 0.538 10.399 5.352 1.00 0.00 C ATOM 995 C ARG A 69 1.124 9.740 4.107 1.00 0.00 C ATOM 996 O ARG A 69 2.308 9.898 3.808 1.00 0.00 O ATOM 997 CB ARG A 69 0.053 9.326 6.329 1.00 0.00 C ATOM 998 CG ARG A 69 -0.413 9.884 7.664 1.00 0.00 C ATOM 999 CD ARG A 69 0.738 10.004 8.650 1.00 0.00 C ATOM 1000 NE ARG A 69 1.703 11.023 8.245 1.00 0.00 N ATOM 1001 CZ ARG A 69 2.966 11.042 8.653 1.00 0.00 C ATOM 1002 NH1 ARG A 69 3.416 10.103 9.474 1.00 0.00 N ATOM 1003 NH2 ARG A 69 3.784 12.002 8.240 1.00 0.00 N ATOM 0 H ARG A 69 -1.356 10.834 4.567 1.00 0.00 H new ATOM 0 HA ARG A 69 1.318 10.991 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.766 8.772 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.860 8.614 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.867 10.863 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.185 9.237 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.346 10.249 9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.242 9.042 8.737 1.00 0.00 H new ATOM 0 HE ARG A 69 1.389 11.760 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.791 9.363 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.387 10.121 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.442 12.726 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.754 12.015 8.554 1.00 0.00 H new ATOM 1017 N MET A 70 0.288 9.000 3.386 1.00 0.00 N ATOM 1018 CA MET A 70 0.723 8.318 2.173 1.00 0.00 C ATOM 1019 C MET A 70 1.295 9.311 1.166 1.00 0.00 C ATOM 1020 O MET A 70 0.906 10.479 1.143 1.00 0.00 O ATOM 1021 CB MET A 70 -0.444 7.553 1.546 1.00 0.00 C ATOM 1022 CG MET A 70 -0.577 6.126 2.053 1.00 0.00 C ATOM 1023 SD MET A 70 -1.336 5.026 0.842 1.00 0.00 S ATOM 1024 CE MET A 70 0.115 4.405 -0.006 1.00 0.00 C ATOM 0 H MET A 70 -0.694 8.857 3.621 1.00 0.00 H new ATOM 0 HA MET A 70 1.507 7.611 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.371 8.090 1.749 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.316 7.535 0.464 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.410 5.745 2.316 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.174 6.123 2.965 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.134 3.478 -0.522 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.456 5.143 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.907 4.216 0.719 1.00 0.00 H new ATOM 1034 N ARG A 71 2.219 8.839 0.336 1.00 0.00 N ATOM 1035 CA ARG A 71 2.845 9.687 -0.672 1.00 0.00 C ATOM 1036 C ARG A 71 3.010 8.934 -1.989 1.00 0.00 C ATOM 1037 O ARG A 71 2.694 7.747 -2.081 1.00 0.00 O ATOM 1038 CB ARG A 71 4.207 10.180 -0.180 1.00 0.00 C ATOM 1039 CG ARG A 71 4.116 11.236 0.909 1.00 0.00 C ATOM 1040 CD ARG A 71 5.401 12.042 1.013 1.00 0.00 C ATOM 1041 NE ARG A 71 5.354 13.010 2.105 1.00 0.00 N ATOM 1042 CZ ARG A 71 4.648 14.134 2.061 1.00 0.00 C ATOM 1043 NH1 ARG A 71 3.934 14.431 0.984 1.00 0.00 N ATOM 1044 NH2 ARG A 71 4.655 14.965 3.096 1.00 0.00 N ATOM 0 H ARG A 71 2.551 7.875 0.341 1.00 0.00 H new ATOM 0 HA ARG A 71 2.196 10.546 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.777 9.331 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.763 10.588 -1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.282 11.905 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.908 10.757 1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.242 11.365 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.578 12.565 0.073 1.00 0.00 H new ATOM 0 HE ARG A 71 5.893 12.812 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.926 13.795 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.393 15.295 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.203 14.741 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.112 15.828 3.061 1.00 0.00 H new ATOM 1058 N ILE A 72 3.505 9.632 -3.006 1.00 0.00 N ATOM 1059 CA ILE A 72 3.711 9.030 -4.317 1.00 0.00 C ATOM 1060 C ILE A 72 5.020 8.248 -4.362 1.00 0.00 C ATOM 1061 O ILE A 72 6.099 8.812 -4.182 1.00 0.00 O ATOM 1062 CB ILE A 72 3.723 10.094 -5.430 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.559 11.070 -5.245 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.652 9.431 -6.797 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.258 10.395 -4.872 1.00 0.00 C ATOM 0 H ILE A 72 3.771 10.615 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 72 2.877 8.349 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 72 4.656 10.654 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.820 11.791 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.416 11.631 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.661 10.196 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.510 8.772 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.733 8.849 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.478 11.147 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.974 9.694 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.384 9.856 -3.933 1.00 0.00 H new ATOM 1077 N GLY A 73 4.917 6.945 -4.607 1.00 0.00 N ATOM 1078 CA GLY A 73 6.100 6.107 -4.674 1.00 0.00 C ATOM 1079 C GLY A 73 6.023 4.920 -3.736 1.00 0.00 C ATOM 1080 O GLY A 73 6.721 3.923 -3.926 1.00 0.00 O ATOM 0 H GLY A 73 4.036 6.455 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.232 5.751 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.979 6.704 -4.429 1.00 0.00 H new ATOM 1084 N ASP A 74 5.175 5.025 -2.719 1.00 0.00 N ATOM 1085 CA ASP A 74 5.009 3.951 -1.747 1.00 0.00 C ATOM 1086 C ASP A 74 4.700 2.630 -2.443 1.00 0.00 C ATOM 1087 O ASP A 74 4.235 2.613 -3.582 1.00 0.00 O ATOM 1088 CB ASP A 74 3.893 4.295 -0.759 1.00 0.00 C ATOM 1089 CG ASP A 74 4.243 5.479 0.121 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.178 5.354 0.939 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.583 6.530 -0.009 1.00 0.00 O ATOM 0 H ASP A 74 4.592 5.844 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 74 5.946 3.842 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.978 4.514 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.687 3.428 -0.131 1.00 0.00 H new ATOM 1096 N GLU A 75 4.962 1.526 -1.751 1.00 0.00 N ATOM 1097 CA GLU A 75 4.713 0.200 -2.305 1.00 0.00 C ATOM 1098 C GLU A 75 3.923 -0.661 -1.323 1.00 0.00 C ATOM 1099 O GLU A 75 4.489 -1.244 -0.398 1.00 0.00 O ATOM 1100 CB GLU A 75 6.034 -0.488 -2.655 1.00 0.00 C ATOM 1101 CG GLU A 75 5.877 -1.950 -3.036 1.00 0.00 C ATOM 1102 CD GLU A 75 7.208 -2.643 -3.252 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.867 -2.990 -2.249 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.591 -2.839 -4.424 1.00 0.00 O ATOM 0 H GLU A 75 5.346 1.523 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 75 4.122 0.320 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.504 0.045 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.709 -0.414 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.325 -2.468 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.282 -2.022 -3.946 1.00 0.00 H new ATOM 1111 N LEU A 76 2.613 -0.734 -1.531 1.00 0.00 N ATOM 1112 CA LEU A 76 1.744 -1.523 -0.664 1.00 0.00 C ATOM 1113 C LEU A 76 2.272 -2.946 -0.513 1.00 0.00 C ATOM 1114 O LEU A 76 2.602 -3.605 -1.499 1.00 0.00 O ATOM 1115 CB LEU A 76 0.322 -1.552 -1.226 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.417 -0.213 -1.253 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.773 -0.365 -1.924 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.577 0.336 0.157 1.00 0.00 C ATOM 0 H LEU A 76 2.129 -0.257 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 76 1.730 -1.054 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.363 -1.942 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.266 -2.257 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 76 0.175 0.495 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.284 0.598 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.635 -0.713 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.373 -1.089 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.105 1.289 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.147 -0.371 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.406 0.484 0.604 1.00 0.00 H new ATOM 1130 N LEU A 77 2.348 -3.414 0.728 1.00 0.00 N ATOM 1131 CA LEU A 77 2.834 -4.761 1.009 1.00 0.00 C ATOM 1132 C LEU A 77 1.716 -5.639 1.561 1.00 0.00 C ATOM 1133 O LEU A 77 1.601 -6.811 1.203 1.00 0.00 O ATOM 1134 CB LEU A 77 3.994 -4.708 2.005 1.00 0.00 C ATOM 1135 CG LEU A 77 5.195 -3.856 1.591 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.028 -3.481 2.807 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.046 -4.595 0.568 1.00 0.00 C ATOM 0 H LEU A 77 2.080 -2.881 1.555 1.00 0.00 H new ATOM 0 HA LEU A 77 3.185 -5.196 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.615 -4.329 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.340 -5.726 2.184 1.00 0.00 H new ATOM 0 HG LEU A 77 4.825 -2.939 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.878 -2.875 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.415 -2.912 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.389 -4.387 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.896 -3.974 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.407 -5.528 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.446 -4.813 -0.315 1.00 0.00 H new ATOM 1149 N GLU A 78 0.892 -5.063 2.431 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.218 -5.794 3.030 1.00 0.00 C ATOM 1151 C GLU A 78 -1.401 -4.867 3.294 1.00 0.00 C ATOM 1152 O GLU A 78 -1.225 -3.672 3.531 1.00 0.00 O ATOM 1153 CB GLU A 78 0.225 -6.458 4.336 1.00 0.00 C ATOM 1154 CG GLU A 78 1.559 -7.177 4.231 1.00 0.00 C ATOM 1155 CD GLU A 78 1.870 -8.012 5.458 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.949 -8.686 5.966 1.00 0.00 O ATOM 1157 OE2 GLU A 78 3.034 -7.992 5.910 1.00 0.00 O ATOM 0 H GLU A 78 0.972 -4.093 2.736 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.533 -6.565 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.291 -5.699 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.538 -7.170 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.553 -7.820 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.352 -6.444 4.085 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.605 -5.427 3.250 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.817 -4.651 3.484 1.00 0.00 C ATOM 1166 C ILE A 79 -4.912 -5.515 4.102 1.00 0.00 C ATOM 1167 O ILE A 79 -5.197 -6.610 3.620 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.346 -4.026 2.180 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.285 -3.117 1.557 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.626 -3.249 2.447 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.766 -2.381 0.327 1.00 0.00 C ATOM 0 H ILE A 79 -2.768 -6.415 3.055 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.552 -3.853 4.178 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.570 -4.827 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.959 -2.390 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.414 -3.717 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.988 -2.813 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.383 -3.922 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.426 -2.455 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.962 -1.756 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.065 -3.101 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.619 -1.754 0.588 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.522 -5.012 5.170 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.587 -5.737 5.853 1.00 0.00 C ATOM 1185 C ASN A 80 -6.169 -7.177 6.139 1.00 0.00 C ATOM 1186 O ASN A 80 -6.974 -8.101 6.029 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.864 -5.723 5.010 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.080 -6.177 5.795 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.451 -5.406 6.810 1.00 0.00 O flip ATOM 1190 ND2 ASN A 80 -9.678 -7.210 5.491 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.297 -4.106 5.581 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.781 -5.238 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.035 -4.715 4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.731 -6.371 4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.357 -7.772 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.494 -7.504 6.028 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.905 -7.358 6.505 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.379 -8.685 6.807 1.00 0.00 C ATOM 1199 C ASN A 81 -4.326 -9.547 5.550 1.00 0.00 C ATOM 1200 O ASN A 81 -4.800 -10.683 5.544 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.241 -9.368 7.871 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.550 -8.452 9.040 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.645 -7.921 9.683 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -6.834 -8.264 9.320 1.00 0.00 N ATOM 0 H ASN A 81 -4.225 -6.603 6.600 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.365 -8.569 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.174 -9.703 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.727 -10.257 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.104 -7.659 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.551 -8.725 8.760 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.745 -8.999 4.487 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.630 -9.719 3.224 1.00 0.00 C ATOM 1213 C GLN A 82 -2.397 -9.264 2.449 1.00 0.00 C ATOM 1214 O GLN A 82 -2.382 -8.177 1.872 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.886 -9.509 2.377 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.078 -10.329 2.842 1.00 0.00 C ATOM 1217 CD GLN A 82 -7.114 -10.524 1.753 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -8.315 -10.004 1.978 1.00 0.00 O flip ATOM 1219 NE2 GLN A 82 -6.838 -11.135 0.720 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.347 -8.060 4.475 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.525 -10.781 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.153 -8.452 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.662 -9.764 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.731 -11.303 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.543 -9.836 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.902 -11.518 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.546 -11.258 -0.004 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.367 -10.103 2.441 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.131 -9.787 1.736 1.00 0.00 C ATOM 1230 C ILE A 83 -0.366 -9.683 0.233 1.00 0.00 C ATOM 1231 O ILE A 83 -0.894 -10.606 -0.389 1.00 0.00 O ATOM 1232 CB ILE A 83 0.956 -10.846 2.003 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.224 -10.966 3.504 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.234 -10.492 1.257 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.384 -11.878 3.839 1.00 0.00 C ATOM 0 H ILE A 83 -1.364 -11.006 2.915 1.00 0.00 H new ATOM 0 HA ILE A 83 0.211 -8.824 2.115 1.00 0.00 H new ATOM 0 HB ILE A 83 0.601 -11.810 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.423 -9.974 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.326 -11.338 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.993 -11.249 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.032 -10.453 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.595 -9.520 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.517 -11.916 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.179 -12.880 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.293 -11.496 3.375 1.00 0.00 H new ATOM 1247 N LEU A 84 0.030 -8.555 -0.345 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.135 -8.331 -1.777 1.00 0.00 C ATOM 1249 C LEU A 84 1.128 -8.719 -2.539 1.00 0.00 C ATOM 1250 O LEU A 84 1.072 -9.065 -3.719 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.477 -6.864 -2.047 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.472 -6.218 -1.083 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.547 -4.718 -1.318 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.848 -6.852 -1.232 1.00 0.00 C ATOM 0 H LEU A 84 0.468 -7.781 0.155 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.954 -8.960 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.447 -6.286 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.878 -6.785 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.123 -6.388 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.260 -4.276 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.564 -4.275 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.871 -4.526 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.543 -6.380 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.204 -6.713 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.783 -7.918 -1.012 1.00 0.00 H new ATOM 1266 N TYR A 85 2.265 -8.661 -1.856 1.00 0.00 N ATOM 1267 CA TYR A 85 3.543 -9.006 -2.468 1.00 0.00 C ATOM 1268 C TYR A 85 3.401 -10.223 -3.376 1.00 0.00 C ATOM 1269 O TYR A 85 3.486 -11.364 -2.923 1.00 0.00 O ATOM 1270 CB TYR A 85 4.592 -9.281 -1.389 1.00 0.00 C ATOM 1271 CG TYR A 85 5.983 -9.498 -1.939 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.383 -10.747 -2.397 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.899 -8.455 -1.999 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.654 -10.951 -2.899 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.171 -8.649 -2.501 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.544 -9.898 -2.950 1.00 0.00 C ATOM 1277 OH TYR A 85 9.811 -10.096 -3.449 1.00 0.00 O ATOM 0 H TYR A 85 2.328 -8.378 -0.878 1.00 0.00 H new ATOM 0 HA TYR A 85 3.867 -8.159 -3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.613 -8.443 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.294 -10.162 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.688 -11.573 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.611 -7.475 -1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.949 -11.929 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.870 -7.827 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 85 10.311 -9.254 -3.416 1.00 0.00 H new ATOM 1287 N GLY A 86 3.183 -9.971 -4.664 1.00 0.00 N ATOM 1288 CA GLY A 86 3.033 -11.055 -5.617 1.00 0.00 C ATOM 1289 C GLY A 86 1.642 -11.110 -6.218 1.00 0.00 C ATOM 1290 O GLY A 86 1.155 -12.182 -6.575 1.00 0.00 O ATOM 0 H GLY A 86 3.108 -9.036 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.766 -10.937 -6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.250 -12.002 -5.123 1.00 0.00 H new ATOM 1294 N ARG A 87 1.001 -9.951 -6.329 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.343 -9.872 -6.888 1.00 0.00 C ATOM 1296 C ARG A 87 -0.493 -8.635 -7.769 1.00 0.00 C ATOM 1297 O ARG A 87 0.413 -7.807 -7.853 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.384 -9.842 -5.767 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.350 -11.069 -4.872 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.315 -10.934 -3.704 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.651 -11.421 -4.038 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.546 -11.792 -3.130 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -4.250 -11.731 -1.839 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.741 -12.224 -3.513 1.00 0.00 N ATOM 0 H ARG A 87 1.391 -9.054 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.506 -10.757 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.223 -8.953 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.377 -9.751 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.605 -11.954 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.338 -11.217 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.930 -11.490 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.375 -9.888 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.911 -11.479 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.333 -11.398 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.939 -12.017 -1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.972 -12.271 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.428 -12.509 -2.815 1.00 0.00 H new ATOM 1318 N SER A 88 -1.643 -8.519 -8.425 1.00 0.00 N ATOM 1319 CA SER A 88 -1.911 -7.386 -9.304 1.00 0.00 C ATOM 1320 C SER A 88 -2.620 -6.267 -8.547 1.00 0.00 C ATOM 1321 O SER A 88 -3.477 -6.521 -7.700 1.00 0.00 O ATOM 1322 CB SER A 88 -2.760 -7.829 -10.497 1.00 0.00 C ATOM 1323 OG SER A 88 -3.916 -8.527 -10.069 1.00 0.00 O ATOM 0 H SER A 88 -2.404 -9.195 -8.365 1.00 0.00 H new ATOM 0 HA SER A 88 -0.956 -7.006 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.053 -6.957 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.167 -8.468 -11.152 1.00 0.00 H new ATOM 0 HG SER A 88 -4.491 -7.923 -9.555 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.257 -5.027 -8.860 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.859 -3.868 -8.210 1.00 0.00 C ATOM 1331 C HIS A 89 -4.380 -3.984 -8.192 1.00 0.00 C ATOM 1332 O HIS A 89 -5.024 -3.661 -7.195 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.442 -2.583 -8.926 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.693 -2.612 -10.403 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.910 -2.291 -10.966 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.873 -2.924 -11.434 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.829 -2.407 -12.279 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.603 -2.789 -12.589 1.00 0.00 N ATOM 0 H HIS A 89 -1.550 -4.799 -9.559 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.503 -3.834 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.982 -1.742 -8.490 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.381 -2.406 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.838 -3.223 -11.362 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.629 -2.221 -12.980 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.255 -2.956 -13.533 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.947 -4.447 -9.302 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.392 -4.604 -9.413 1.00 0.00 C ATOM 1349 C GLN A 90 -6.946 -5.396 -8.233 1.00 0.00 C ATOM 1350 O GLN A 90 -8.037 -5.113 -7.740 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.751 -5.303 -10.725 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.723 -4.381 -11.933 1.00 0.00 C ATOM 1353 CD GLN A 90 -6.837 -5.134 -13.244 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -6.332 -6.248 -13.379 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -7.504 -4.527 -14.219 1.00 0.00 N ATOM 0 H GLN A 90 -4.428 -4.720 -10.136 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.842 -3.611 -9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.056 -6.126 -10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.746 -5.739 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.541 -3.664 -11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.796 -3.808 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.907 -3.603 -14.063 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.614 -4.985 -15.124 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.185 -6.390 -7.784 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.601 -7.224 -6.662 1.00 0.00 C ATOM 1366 C ASN A 91 -6.599 -6.426 -5.362 1.00 0.00 C ATOM 1367 O ASN A 91 -7.561 -6.467 -4.596 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.677 -8.436 -6.531 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.815 -9.397 -7.696 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.220 -9.008 -8.792 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.480 -10.661 -7.464 1.00 0.00 N ATOM 0 H ASN A 91 -5.278 -6.637 -8.180 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.617 -7.569 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.644 -8.096 -6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.900 -8.961 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.554 -11.353 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.149 -10.940 -6.540 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.512 -5.701 -5.120 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.385 -4.892 -3.914 1.00 0.00 C ATOM 1380 C ALA A 92 -6.678 -4.139 -3.621 1.00 0.00 C ATOM 1381 O ALA A 92 -7.239 -4.250 -2.530 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.224 -3.918 -4.051 1.00 0.00 C ATOM 0 H ALA A 92 -4.706 -5.657 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.186 -5.561 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.141 -3.321 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.299 -4.474 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.399 -3.261 -4.903 1.00 0.00 H new ATOM 1388 N SER A 93 -7.146 -3.372 -4.600 1.00 0.00 N ATOM 1389 CA SER A 93 -8.371 -2.596 -4.444 1.00 0.00 C ATOM 1390 C SER A 93 -9.519 -3.483 -3.972 1.00 0.00 C ATOM 1391 O SER A 93 -10.313 -3.087 -3.119 1.00 0.00 O ATOM 1392 CB SER A 93 -8.744 -1.921 -5.766 1.00 0.00 C ATOM 1393 OG SER A 93 -9.761 -0.953 -5.575 1.00 0.00 O ATOM 0 H SER A 93 -6.696 -3.271 -5.510 1.00 0.00 H new ATOM 0 HA SER A 93 -8.193 -1.829 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.862 -1.447 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.082 -2.673 -6.479 1.00 0.00 H new ATOM 0 HG SER A 93 -9.980 -0.535 -6.434 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.599 -4.685 -4.532 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.648 -5.629 -4.168 1.00 0.00 C ATOM 1401 C ALA A 94 -10.618 -5.934 -2.674 1.00 0.00 C ATOM 1402 O ALA A 94 -11.657 -5.954 -2.014 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.506 -6.913 -4.973 1.00 0.00 C ATOM 0 H ALA A 94 -8.950 -5.028 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.610 -5.172 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.296 -7.609 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.585 -6.686 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.535 -7.365 -4.769 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.421 -6.171 -2.148 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.257 -6.474 -0.731 1.00 0.00 C ATOM 1411 C ILE A 95 -9.796 -5.344 0.139 1.00 0.00 C ATOM 1412 O ILE A 95 -10.470 -5.585 1.140 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.778 -6.720 -0.376 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.226 -7.896 -1.184 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.628 -6.978 1.116 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.722 -8.033 -1.101 1.00 0.00 C ATOM 0 H ILE A 95 -8.551 -6.159 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.826 -7.383 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.205 -5.828 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.687 -8.818 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.515 -7.776 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.578 -7.150 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.988 -6.113 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.211 -7.856 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.401 -8.887 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.252 -7.126 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.427 -8.184 -0.063 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.495 -4.110 -0.251 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.951 -2.942 0.492 1.00 0.00 C ATOM 1430 C ILE A 96 -11.473 -2.842 0.478 1.00 0.00 C ATOM 1431 O ILE A 96 -12.099 -2.580 1.506 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.358 -1.642 -0.082 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.846 -1.599 0.153 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.031 -0.430 0.545 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.135 -0.555 -0.680 1.00 0.00 C ATOM 0 H ILE A 96 -8.937 -3.893 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.606 -3.067 1.518 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.542 -1.620 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.656 -1.402 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.424 -2.579 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.601 0.481 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.100 -0.457 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.875 -0.445 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.067 -0.581 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.295 -0.763 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.530 0.432 -0.441 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.064 -3.054 -0.693 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.513 -2.992 -0.842 1.00 0.00 C ATOM 1449 C LYS A 97 -14.203 -3.906 0.165 1.00 0.00 C ATOM 1450 O LYS A 97 -15.194 -3.524 0.788 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.917 -3.386 -2.265 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.188 -2.707 -2.746 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.390 -2.897 -4.240 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.446 -2.019 -5.046 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.674 -2.158 -6.511 1.00 0.00 N ATOM 0 H LYS A 97 -11.561 -3.270 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.829 -1.966 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.103 -3.139 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.053 -4.467 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.045 -3.113 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.142 -1.642 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.227 -3.943 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.421 -2.660 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.581 -0.977 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.415 -2.284 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.011 -1.544 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.520 -3.147 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.650 -1.881 -6.738 1.00 0.00 H new ATOM 1469 N THR A 98 -13.673 -5.115 0.322 1.00 0.00 N ATOM 1470 CA THR A 98 -14.238 -6.082 1.254 1.00 0.00 C ATOM 1471 C THR A 98 -13.898 -5.720 2.695 1.00 0.00 C ATOM 1472 O THR A 98 -14.634 -6.063 3.620 1.00 0.00 O ATOM 1473 CB THR A 98 -13.730 -7.507 0.961 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.305 -7.557 1.096 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.127 -7.945 -0.441 1.00 0.00 C ATOM 0 H THR A 98 -12.853 -5.448 -0.185 1.00 0.00 H new ATOM 0 HA THR A 98 -15.320 -6.055 1.121 1.00 0.00 H new ATOM 0 HB THR A 98 -14.187 -8.187 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.946 -6.645 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.758 -8.954 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.213 -7.934 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.695 -7.261 -1.172 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.780 -5.026 2.878 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.345 -4.615 4.208 1.00 0.00 C ATOM 1485 C ALA A 99 -13.299 -3.586 4.804 1.00 0.00 C ATOM 1486 O ALA A 99 -13.941 -2.814 4.092 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.931 -4.057 4.151 1.00 0.00 C ATOM 0 H ALA A 99 -12.159 -4.736 2.123 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.351 -5.493 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.619 -3.754 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.252 -4.823 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.907 -3.194 3.486 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.396 -3.573 6.141 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.270 -2.643 6.863 1.00 0.00 C ATOM 1495 C PRO A 100 -13.773 -1.203 6.787 1.00 0.00 C ATOM 1496 O PRO A 100 -12.648 -0.947 6.357 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.217 -3.152 8.305 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.912 -3.863 8.408 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.660 -4.465 7.053 1.00 0.00 C ATOM 0 HA PRO A 100 -15.275 -2.619 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.277 -2.329 9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.050 -3.821 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.113 -3.174 8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.948 -4.634 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.596 -4.492 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.026 -5.490 6.994 1.00 0.00 H new ATOM 1507 N SER A 101 -14.618 -0.267 7.208 1.00 0.00 N ATOM 1508 CA SER A 101 -14.265 1.147 7.184 1.00 0.00 C ATOM 1509 C SER A 101 -12.781 1.342 7.482 1.00 0.00 C ATOM 1510 O SER A 101 -12.041 1.898 6.670 1.00 0.00 O ATOM 1511 CB SER A 101 -15.106 1.921 8.201 1.00 0.00 C ATOM 1512 OG SER A 101 -16.316 2.377 7.621 1.00 0.00 O ATOM 0 H SER A 101 -15.551 -0.463 7.570 1.00 0.00 H new ATOM 0 HA SER A 101 -14.471 1.531 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.327 1.282 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.536 2.771 8.577 1.00 0.00 H new ATOM 0 HG SER A 101 -16.836 2.867 8.292 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.353 0.880 8.652 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.958 1.001 9.059 1.00 0.00 C ATOM 1520 C LYS A 102 -10.117 -0.120 8.456 1.00 0.00 C ATOM 1521 O LYS A 102 -10.356 -1.299 8.717 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.846 0.972 10.584 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.461 1.321 11.099 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.524 1.982 12.466 1.00 0.00 C ATOM 1525 CE LYS A 102 -9.642 3.494 12.349 1.00 0.00 C ATOM 1526 NZ LYS A 102 -8.311 4.143 12.185 1.00 0.00 N ATOM 0 H LYS A 102 -12.953 0.418 9.336 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.579 1.955 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.568 1.671 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.117 -0.021 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.856 0.417 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.967 1.989 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.377 1.591 13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.630 1.729 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.275 3.744 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.132 3.890 13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.320 5.076 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.579 3.548 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.104 4.259 11.172 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.130 0.256 7.649 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.251 -0.717 7.011 1.00 0.00 C ATOM 1542 C VAL A 103 -6.785 -0.392 7.279 1.00 0.00 C ATOM 1543 O VAL A 103 -6.358 0.755 7.148 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.483 -0.770 5.489 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.652 -1.878 4.861 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.961 -0.963 5.183 1.00 0.00 C ATOM 0 H VAL A 103 -8.919 1.228 7.421 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.490 -1.689 7.442 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.166 0.179 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.829 -1.900 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.595 -1.692 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.936 -2.837 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.107 -0.998 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.305 -1.897 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.530 -0.132 5.599 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.019 -1.411 7.655 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.600 -1.236 7.940 1.00 0.00 C ATOM 1558 C LYS A 104 -3.768 -1.377 6.669 1.00 0.00 C ATOM 1559 O LYS A 104 -3.783 -2.422 6.017 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.138 -2.259 8.980 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.717 -2.033 9.467 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.126 -3.296 10.070 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.105 -2.973 11.149 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.756 -2.601 12.436 1.00 0.00 N ATOM 0 H LYS A 104 -6.357 -2.366 7.769 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.456 -0.231 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.815 -2.228 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.212 -3.259 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.095 -1.700 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.709 -1.236 10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.924 -3.906 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.654 -3.888 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.457 -3.836 11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.469 -2.154 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.026 -2.388 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.354 -1.763 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.343 -3.392 12.770 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.042 -0.319 6.322 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.203 -0.325 5.130 1.00 0.00 C ATOM 1580 C LEU A 105 -0.724 -0.352 5.505 1.00 0.00 C ATOM 1581 O LEU A 105 -0.234 0.537 6.201 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.499 0.902 4.267 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.973 1.156 3.945 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.218 2.637 3.700 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.404 0.336 2.738 1.00 0.00 C ATOM 0 H LEU A 105 -3.018 0.553 6.850 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.431 -1.226 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.101 1.782 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.955 0.801 3.328 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.571 0.846 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.272 2.799 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.948 3.203 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.610 2.972 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.455 0.529 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.800 0.615 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.266 -0.724 2.950 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.019 -1.376 5.037 1.00 0.00 N ATOM 1598 CA VAL A 106 1.405 -1.517 5.320 1.00 0.00 C ATOM 1599 C VAL A 106 2.235 -1.378 4.049 1.00 0.00 C ATOM 1600 O VAL A 106 2.302 -2.298 3.234 1.00 0.00 O ATOM 1601 CB VAL A 106 1.715 -2.876 5.975 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.207 -3.016 6.236 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.922 -3.039 7.264 1.00 0.00 C ATOM 0 H VAL A 106 -0.410 -2.121 4.460 1.00 0.00 H new ATOM 0 HA VAL A 106 1.670 -0.718 6.013 1.00 0.00 H new ATOM 0 HB VAL A 106 1.415 -3.667 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.406 -3.982 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.749 -2.947 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.536 -2.219 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.153 -4.005 7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.189 -2.242 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.144 -2.987 7.044 1.00 0.00 H new ATOM 1613 N PHE A 107 2.866 -0.220 3.885 1.00 0.00 N ATOM 1614 CA PHE A 107 3.692 0.041 2.712 1.00 0.00 C ATOM 1615 C PHE A 107 5.057 0.590 3.119 1.00 0.00 C ATOM 1616 O PHE A 107 5.338 0.766 4.305 1.00 0.00 O ATOM 1617 CB PHE A 107 2.991 1.029 1.778 1.00 0.00 C ATOM 1618 CG PHE A 107 2.697 2.355 2.418 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.688 3.316 2.538 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.430 2.642 2.901 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.421 4.537 3.128 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.157 3.861 3.491 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.154 4.811 3.604 1.00 0.00 C ATOM 0 H PHE A 107 2.821 0.553 4.550 1.00 0.00 H new ATOM 0 HA PHE A 107 3.841 -0.902 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.614 1.190 0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.057 0.588 1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.681 3.109 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.647 1.904 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.203 5.277 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.165 4.071 3.864 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.943 5.765 4.063 1.00 0.00 H new ATOM 1633 N ILE A 108 5.899 0.859 2.128 1.00 0.00 N ATOM 1634 CA ILE A 108 7.233 1.388 2.382 1.00 0.00 C ATOM 1635 C ILE A 108 7.453 2.704 1.642 1.00 0.00 C ATOM 1636 O ILE A 108 7.138 2.822 0.458 1.00 0.00 O ATOM 1637 CB ILE A 108 8.326 0.387 1.961 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.708 0.915 2.350 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.255 0.124 0.464 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.738 -0.176 2.545 1.00 0.00 C ATOM 0 H ILE A 108 5.681 0.719 1.141 1.00 0.00 H new ATOM 0 HA ILE A 108 7.304 1.561 3.456 1.00 0.00 H new ATOM 0 HB ILE A 108 8.157 -0.555 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.057 1.600 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.622 1.491 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.033 -0.585 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.278 -0.290 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.402 1.059 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.694 0.271 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.411 -0.848 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.853 -0.738 1.618 1.00 0.00 H new ATOM 1652 N ARG A 109 7.996 3.690 2.349 1.00 0.00 N ATOM 1653 CA ARG A 109 8.259 4.997 1.759 1.00 0.00 C ATOM 1654 C ARG A 109 9.665 5.055 1.170 1.00 0.00 C ATOM 1655 O ARG A 109 10.619 5.432 1.850 1.00 0.00 O ATOM 1656 CB ARG A 109 8.088 6.097 2.809 1.00 0.00 C ATOM 1657 CG ARG A 109 8.423 7.487 2.294 1.00 0.00 C ATOM 1658 CD ARG A 109 7.205 8.164 1.685 1.00 0.00 C ATOM 1659 NE ARG A 109 6.368 8.800 2.700 1.00 0.00 N ATOM 1660 CZ ARG A 109 6.761 9.836 3.432 1.00 0.00 C ATOM 1661 NH1 ARG A 109 7.970 10.352 3.263 1.00 0.00 N ATOM 1662 NH2 ARG A 109 5.942 10.359 4.336 1.00 0.00 N ATOM 0 H ARG A 109 8.262 3.609 3.330 1.00 0.00 H new ATOM 0 HA ARG A 109 7.541 5.156 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.058 6.090 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.724 5.873 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.808 8.096 3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.214 7.419 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.530 8.912 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.616 7.427 1.139 1.00 0.00 H new ATOM 0 HE ARG A 109 5.431 8.428 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.602 9.953 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.268 11.148 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.010 9.965 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.244 11.155 4.898 1.00 0.00 H new ATOM 1676 N ASN A 110 9.786 4.679 -0.099 1.00 0.00 N ATOM 1677 CA ASN A 110 11.076 4.687 -0.779 1.00 0.00 C ATOM 1678 C ASN A 110 11.081 5.697 -1.923 1.00 0.00 C ATOM 1679 O ASN A 110 10.456 5.477 -2.960 1.00 0.00 O ATOM 1680 CB ASN A 110 11.402 3.291 -1.315 1.00 0.00 C ATOM 1681 CG ASN A 110 12.612 3.291 -2.229 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.187 4.341 -2.516 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.003 2.110 -2.692 1.00 0.00 N ATOM 0 H ASN A 110 9.006 4.365 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 110 11.838 4.979 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.582 2.616 -0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.540 2.903 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.810 2.047 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.496 1.265 -2.428 1.00 0.00 H new ATOM 1690 N GLU A 111 11.791 6.803 -1.726 1.00 0.00 N ATOM 1691 CA GLU A 111 11.877 7.846 -2.741 1.00 0.00 C ATOM 1692 C GLU A 111 12.278 7.259 -4.092 1.00 0.00 C ATOM 1693 O GLU A 111 11.774 7.673 -5.135 1.00 0.00 O ATOM 1694 CB GLU A 111 12.884 8.917 -2.319 1.00 0.00 C ATOM 1695 CG GLU A 111 14.330 8.452 -2.380 1.00 0.00 C ATOM 1696 CD GLU A 111 15.268 9.359 -1.608 1.00 0.00 C ATOM 1697 OE1 GLU A 111 14.850 9.890 -0.557 1.00 0.00 O ATOM 1698 OE2 GLU A 111 16.420 9.538 -2.054 1.00 0.00 O ATOM 0 H GLU A 111 12.315 7.000 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 111 10.892 8.303 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.764 9.789 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.657 9.237 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.399 7.440 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.649 8.407 -3.421 1.00 0.00 H new ATOM 1705 N ASP A 112 13.190 6.293 -4.063 1.00 0.00 N ATOM 1706 CA ASP A 112 13.659 5.648 -5.284 1.00 0.00 C ATOM 1707 C ASP A 112 12.514 4.934 -5.996 1.00 0.00 C ATOM 1708 O ASP A 112 12.529 4.781 -7.217 1.00 0.00 O ATOM 1709 CB ASP A 112 14.776 4.653 -4.963 1.00 0.00 C ATOM 1710 CG ASP A 112 15.494 4.169 -6.207 1.00 0.00 C ATOM 1711 OD1 ASP A 112 14.821 3.966 -7.239 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.729 3.991 -6.149 1.00 0.00 O ATOM 0 H ASP A 112 13.619 5.940 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 112 14.050 6.420 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 112 15.495 5.122 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.356 3.798 -4.433 1.00 0.00 H new ATOM 1717 N ALA A 113 11.525 4.497 -5.224 1.00 0.00 N ATOM 1718 CA ALA A 113 10.372 3.800 -5.781 1.00 0.00 C ATOM 1719 C ALA A 113 9.754 4.591 -6.929 1.00 0.00 C ATOM 1720 O ALA A 113 9.407 4.029 -7.967 1.00 0.00 O ATOM 1721 CB ALA A 113 9.336 3.543 -4.696 1.00 0.00 C ATOM 0 H ALA A 113 11.499 4.613 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 113 10.713 2.843 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.481 3.022 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.777 2.930 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.008 4.493 -4.274 1.00 0.00 H new ATOM 1727 N VAL A 114 9.618 5.899 -6.734 1.00 0.00 N ATOM 1728 CA VAL A 114 9.041 6.768 -7.753 1.00 0.00 C ATOM 1729 C VAL A 114 9.558 6.405 -9.141 1.00 0.00 C ATOM 1730 O VAL A 114 8.834 6.505 -10.130 1.00 0.00 O ATOM 1731 CB VAL A 114 9.356 8.249 -7.471 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.754 8.679 -6.143 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.858 8.487 -7.487 1.00 0.00 C ATOM 0 H VAL A 114 9.900 6.380 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 114 7.961 6.621 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 114 8.907 8.854 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.987 9.728 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.672 8.547 -6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.171 8.070 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.062 9.539 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.332 7.873 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.258 8.220 -8.465 1.00 0.00 H new ATOM 1743 N ASN A 115 10.817 5.982 -9.205 1.00 0.00 N ATOM 1744 CA ASN A 115 11.432 5.604 -10.472 1.00 0.00 C ATOM 1745 C ASN A 115 11.069 4.170 -10.846 1.00 0.00 C ATOM 1746 O ASN A 115 10.779 3.875 -12.005 1.00 0.00 O ATOM 1747 CB ASN A 115 12.952 5.752 -10.390 1.00 0.00 C ATOM 1748 CG ASN A 115 13.375 7.142 -9.955 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.847 8.144 -10.439 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.332 7.210 -9.037 1.00 0.00 N ATOM 0 H ASN A 115 11.430 5.893 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 115 11.050 6.271 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.348 5.018 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.389 5.530 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.657 8.118 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.742 6.354 -8.663 1.00 0.00 H new ATOM 1757 N GLN A 116 11.088 3.283 -9.856 1.00 0.00 N ATOM 1758 CA GLN A 116 10.761 1.880 -10.082 1.00 0.00 C ATOM 1759 C GLN A 116 9.331 1.729 -10.588 1.00 0.00 C ATOM 1760 O GLN A 116 9.104 1.272 -11.708 1.00 0.00 O ATOM 1761 CB GLN A 116 10.946 1.078 -8.792 1.00 0.00 C ATOM 1762 CG GLN A 116 12.379 1.063 -8.285 1.00 0.00 C ATOM 1763 CD GLN A 116 12.574 0.119 -7.115 1.00 0.00 C ATOM 1764 OE1 GLN A 116 11.755 -0.768 -6.875 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.663 0.306 -6.379 1.00 0.00 N ATOM 0 H GLN A 116 11.326 3.511 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 116 11.438 1.493 -10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.300 1.495 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.619 0.052 -8.962 1.00 0.00 H new ATOM 0 HG2 GLN A 116 13.045 0.771 -9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.665 2.071 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.315 1.054 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.847 -0.298 -5.578 1.00 0.00 H new ATOM 1774 N MET A 117 8.370 2.115 -9.755 1.00 0.00 N ATOM 1775 CA MET A 117 6.961 2.023 -10.120 1.00 0.00 C ATOM 1776 C MET A 117 6.716 2.624 -11.500 1.00 0.00 C ATOM 1777 O MET A 117 7.367 3.593 -11.890 1.00 0.00 O ATOM 1778 CB MET A 117 6.095 2.735 -9.079 1.00 0.00 C ATOM 1779 CG MET A 117 6.201 4.251 -9.135 1.00 0.00 C ATOM 1780 SD MET A 117 5.079 5.068 -7.985 1.00 0.00 S ATOM 1781 CE MET A 117 5.252 6.775 -8.499 1.00 0.00 C ATOM 0 H MET A 117 8.541 2.494 -8.824 1.00 0.00 H new ATOM 0 HA MET A 117 6.687 0.968 -10.149 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.054 2.446 -9.225 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.384 2.395 -8.084 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.225 4.548 -8.910 1.00 0.00 H new ATOM 0 HG3 MET A 117 5.986 4.589 -10.149 1.00 0.00 H new ATOM 0 HE1 MET A 117 5.784 7.335 -7.729 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.813 6.819 -9.432 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.265 7.212 -8.648 1.00 0.00 H new ATOM 1791 N ALA A 118 5.773 2.044 -12.235 1.00 0.00 N ATOM 1792 CA ALA A 118 5.441 2.524 -13.571 1.00 0.00 C ATOM 1793 C ALA A 118 4.467 3.696 -13.507 1.00 0.00 C ATOM 1794 O ALA A 118 3.937 4.017 -12.443 1.00 0.00 O ATOM 1795 CB ALA A 118 4.858 1.396 -14.408 1.00 0.00 C ATOM 0 H ALA A 118 5.225 1.240 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 118 6.359 2.874 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.615 1.769 -15.403 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.587 0.590 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.953 1.019 -13.931 1.00 0.00 H new