USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= 0.92 K(o=0.91,f=-7.5!) USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc=-0.00838 USER MOD Set 2.1: A 42 MET CE :methyl -141:sc= -0.0304 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -3.46 X(o=-3.5,f=-3.4!) USER MOD Single : A 10 GLN : amide:sc= 0.295 K(o=0.3,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 34:sc= 0.298 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 137:sc= -1.91 (180deg=-2.79!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 34 SER OG : rot 180:sc=3.53e-05 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.16 K(o=-2.2,f=-7.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 45:sc= 0.166 USER MOD Single : A 69 SER OG : rot 180:sc=0.000576 USER MOD Single : A 76 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.14) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -54:sc= -0.475 USER MOD Single : A 84 SER OG : rot 180:sc= -0.069 USER MOD Single : A 85 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.51) USER MOD Single : A 87 THR OG1 : rot -76:sc= -0.0255 USER MOD Single : A 93 THR OG1 : rot -33:sc= 0.0644! USER MOD Single : A 94 TYR OH : rot -55:sc= 1.1 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 98 LYS NZ :NH3+ 132:sc= 0.957 (180deg=-0.00583) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= -0.0146 (180deg=-0.181) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 148:sc= 0.0982 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.481 26.742 -4.504 1.00 0.00 N ATOM 67 CA GLU A 8 -7.100 25.884 -3.501 1.00 0.00 C ATOM 68 C GLU A 8 -6.432 24.512 -3.471 1.00 0.00 C ATOM 69 O GLU A 8 -6.358 23.823 -4.490 1.00 0.00 O ATOM 70 CB GLU A 8 -8.596 25.729 -3.783 1.00 0.00 C ATOM 71 CG GLU A 8 -9.300 24.777 -2.830 1.00 0.00 C ATOM 72 CD GLU A 8 -10.762 25.125 -2.632 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.076 26.330 -2.532 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.592 24.194 -2.577 1.00 0.00 O ATOM 0 HA GLU A 8 -6.968 26.354 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.072 26.708 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.730 25.372 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.221 23.760 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.793 24.793 -1.865 1.00 0.00 H new ATOM 81 N LEU A 9 -5.946 24.123 -2.298 1.00 0.00 N ATOM 82 CA LEU A 9 -5.283 22.833 -2.135 1.00 0.00 C ATOM 83 C LEU A 9 -6.137 21.706 -2.705 1.00 0.00 C ATOM 84 O LEU A 9 -7.358 21.825 -2.796 1.00 0.00 O ATOM 85 CB LEU A 9 -4.993 22.571 -0.656 1.00 0.00 C ATOM 86 CG LEU A 9 -4.699 21.119 -0.277 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.906 21.055 1.019 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.994 20.329 -0.152 1.00 0.00 C ATOM 0 H LEU A 9 -5.998 24.681 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.342 22.863 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.141 23.183 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.848 22.912 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.098 20.671 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.706 20.014 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.962 21.586 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.480 21.520 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.767 19.298 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.620 20.777 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.524 20.346 -1.104 1.00 0.00 H new ATOM 100 N GLN A 10 -5.485 20.612 -3.086 1.00 0.00 N ATOM 101 CA GLN A 10 -6.186 19.462 -3.646 1.00 0.00 C ATOM 102 C GLN A 10 -5.346 18.196 -3.514 1.00 0.00 C ATOM 103 O GLN A 10 -4.126 18.228 -3.672 1.00 0.00 O ATOM 104 CB GLN A 10 -6.526 19.712 -5.117 1.00 0.00 C ATOM 105 CG GLN A 10 -6.754 18.437 -5.913 1.00 0.00 C ATOM 106 CD GLN A 10 -8.023 17.714 -5.506 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.981 18.332 -5.041 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.035 16.398 -5.678 1.00 0.00 N ATOM 0 H GLN A 10 -4.474 20.498 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.110 19.323 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.421 20.331 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.716 20.278 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.803 18.680 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.902 17.771 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.218 15.927 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.861 15.858 -5.421 1.00 0.00 H new ATOM 117 N VAL A 11 -6.008 17.080 -3.223 1.00 0.00 N ATOM 118 CA VAL A 11 -5.323 15.802 -3.070 1.00 0.00 C ATOM 119 C VAL A 11 -4.980 15.198 -4.427 1.00 0.00 C ATOM 120 O VAL A 11 -5.868 14.868 -5.214 1.00 0.00 O ATOM 121 CB VAL A 11 -6.179 14.799 -2.275 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.432 13.486 -2.093 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.576 15.387 -0.929 1.00 0.00 C ATOM 0 H VAL A 11 -7.018 17.036 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.403 15.999 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.089 14.596 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.052 12.790 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.203 13.059 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.504 13.667 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.181 14.665 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.679 15.620 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.153 16.298 -1.086 1.00 0.00 H new ATOM 133 N ILE A 12 -3.686 15.054 -4.693 1.00 0.00 N ATOM 134 CA ILE A 12 -3.225 14.487 -5.954 1.00 0.00 C ATOM 135 C ILE A 12 -2.947 12.994 -5.817 1.00 0.00 C ATOM 136 O ILE A 12 -2.016 12.588 -5.122 1.00 0.00 O ATOM 137 CB ILE A 12 -1.950 15.191 -6.456 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.237 16.665 -6.748 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.413 14.494 -7.697 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.137 16.880 -7.945 1.00 0.00 C ATOM 0 H ILE A 12 -2.939 15.322 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.024 14.640 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.191 15.136 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.699 17.118 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.293 17.184 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.512 15.003 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.175 13.457 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.166 14.521 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.297 17.948 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.668 16.457 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.095 16.390 -7.773 1.00 0.00 H new ATOM 152 N GLN A 13 -3.760 12.182 -6.485 1.00 0.00 N ATOM 153 CA GLN A 13 -3.600 10.734 -6.438 1.00 0.00 C ATOM 154 C GLN A 13 -3.271 10.177 -7.819 1.00 0.00 C ATOM 155 O GLN A 13 -4.154 9.794 -8.588 1.00 0.00 O ATOM 156 CB GLN A 13 -4.872 10.077 -5.900 1.00 0.00 C ATOM 157 CG GLN A 13 -4.885 9.924 -4.388 1.00 0.00 C ATOM 158 CD GLN A 13 -5.878 8.881 -3.915 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.768 8.471 -4.661 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.732 8.445 -2.669 1.00 0.00 N ATOM 0 H GLN A 13 -4.536 12.502 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.771 10.507 -5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.734 10.671 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.985 9.094 -6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.887 9.651 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.127 10.884 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.980 8.812 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.371 7.743 -2.296 1.00 0.00 H new ATOM 169 N PRO A 14 -1.971 10.130 -8.145 1.00 0.00 N ATOM 170 CA PRO A 14 -1.496 9.622 -9.435 1.00 0.00 C ATOM 171 C PRO A 14 -1.684 8.115 -9.569 1.00 0.00 C ATOM 172 O PRO A 14 -1.969 7.610 -10.655 1.00 0.00 O ATOM 173 CB PRO A 14 -0.007 9.976 -9.429 1.00 0.00 C ATOM 174 CG PRO A 14 0.358 10.056 -7.987 1.00 0.00 C ATOM 175 CD PRO A 14 -0.864 10.570 -7.278 1.00 0.00 C ATOM 0 HA PRO A 14 -2.047 10.053 -10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.582 9.218 -9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.177 10.923 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.649 9.078 -7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.206 10.723 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.950 10.155 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.842 11.655 -7.174 1.00 0.00 H new ATOM 183 N GLU A 15 -1.523 7.402 -8.459 1.00 0.00 N ATOM 184 CA GLU A 15 -1.676 5.951 -8.454 1.00 0.00 C ATOM 185 C GLU A 15 -3.120 5.557 -8.160 1.00 0.00 C ATOM 186 O GLU A 15 -3.481 5.286 -7.015 1.00 0.00 O ATOM 187 CB GLU A 15 -0.742 5.322 -7.418 1.00 0.00 C ATOM 188 CG GLU A 15 0.719 5.321 -7.836 1.00 0.00 C ATOM 189 CD GLU A 15 0.956 4.560 -9.126 1.00 0.00 C ATOM 190 OE1 GLU A 15 1.038 3.315 -9.075 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.061 5.211 -10.186 1.00 0.00 O ATOM 0 H GLU A 15 -1.287 7.805 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.412 5.579 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.841 5.862 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.058 4.296 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.059 6.349 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.320 4.878 -7.042 1.00 0.00 H new ATOM 198 N LYS A 16 -3.943 5.528 -9.203 1.00 0.00 N ATOM 199 CA LYS A 16 -5.348 5.167 -9.059 1.00 0.00 C ATOM 200 C LYS A 16 -5.501 3.895 -8.232 1.00 0.00 C ATOM 201 O LYS A 16 -6.432 3.769 -7.436 1.00 0.00 O ATOM 202 CB LYS A 16 -5.990 4.973 -10.435 1.00 0.00 C ATOM 203 CG LYS A 16 -7.507 4.916 -10.397 1.00 0.00 C ATOM 204 CD LYS A 16 -8.093 4.723 -11.785 1.00 0.00 C ATOM 205 CE LYS A 16 -8.319 6.054 -12.486 1.00 0.00 C ATOM 206 NZ LYS A 16 -8.658 5.873 -13.924 1.00 0.00 N ATOM 0 H LYS A 16 -3.661 5.750 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.854 5.981 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.682 5.789 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.611 4.051 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.825 4.098 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.896 5.837 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.421 4.106 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.038 4.185 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.124 6.594 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.422 6.667 -12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.804 6.803 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.879 5.380 -14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.528 5.309 -14.007 1.00 0.00 H new ATOM 220 N SER A 17 -4.581 2.955 -8.423 1.00 0.00 N ATOM 221 CA SER A 17 -4.615 1.692 -7.696 1.00 0.00 C ATOM 222 C SER A 17 -3.210 1.118 -7.537 1.00 0.00 C ATOM 223 O SER A 17 -2.344 1.321 -8.388 1.00 0.00 O ATOM 224 CB SER A 17 -5.511 0.685 -8.421 1.00 0.00 C ATOM 225 OG SER A 17 -4.831 0.094 -9.515 1.00 0.00 O ATOM 0 H SER A 17 -3.802 3.045 -9.076 1.00 0.00 H new ATOM 0 HA SER A 17 -5.025 1.883 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.830 -0.091 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.412 1.185 -8.776 1.00 0.00 H new ATOM 0 HG SER A 17 -5.423 -0.547 -9.961 1.00 0.00 H new ATOM 231 N VAL A 18 -2.992 0.399 -6.441 1.00 0.00 N ATOM 232 CA VAL A 18 -1.693 -0.206 -6.169 1.00 0.00 C ATOM 233 C VAL A 18 -1.761 -1.725 -6.281 1.00 0.00 C ATOM 234 O VAL A 18 -2.839 -2.315 -6.213 1.00 0.00 O ATOM 235 CB VAL A 18 -1.180 0.172 -4.767 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.168 -0.480 -4.498 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.088 1.684 -4.624 1.00 0.00 C ATOM 0 H VAL A 18 -3.698 0.221 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.001 0.180 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.890 -0.198 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.515 -0.202 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.066 -1.564 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.890 -0.143 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.724 1.934 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.400 2.079 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.074 2.124 -4.771 1.00 0.00 H new ATOM 247 N SER A 19 -0.602 -2.352 -6.453 1.00 0.00 N ATOM 248 CA SER A 19 -0.529 -3.803 -6.578 1.00 0.00 C ATOM 249 C SER A 19 0.642 -4.360 -5.773 1.00 0.00 C ATOM 250 O SER A 19 1.791 -3.965 -5.972 1.00 0.00 O ATOM 251 CB SER A 19 -0.388 -4.204 -8.047 1.00 0.00 C ATOM 252 OG SER A 19 -0.965 -5.475 -8.287 1.00 0.00 O ATOM 0 H SER A 19 0.299 -1.878 -6.509 1.00 0.00 H new ATOM 0 HA SER A 19 -1.453 -4.223 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.870 -3.458 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.666 -4.222 -8.322 1.00 0.00 H new ATOM 0 HG SER A 19 -0.863 -5.707 -9.234 1.00 0.00 H new ATOM 258 N VAL A 20 0.341 -5.279 -4.861 1.00 0.00 N ATOM 259 CA VAL A 20 1.367 -5.892 -4.026 1.00 0.00 C ATOM 260 C VAL A 20 1.042 -7.353 -3.739 1.00 0.00 C ATOM 261 O VAL A 20 0.063 -7.894 -4.252 1.00 0.00 O ATOM 262 CB VAL A 20 1.525 -5.141 -2.690 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.500 -3.983 -2.840 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.174 -4.650 -2.192 1.00 0.00 C ATOM 0 H VAL A 20 -0.605 -5.615 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 20 2.303 -5.834 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 20 1.930 -5.832 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.599 -3.465 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.473 -4.365 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.127 -3.289 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.304 -4.122 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.262 -3.975 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.490 -5.501 -2.043 1.00 0.00 H new ATOM 274 N ALA A 21 1.870 -7.987 -2.915 1.00 0.00 N ATOM 275 CA ALA A 21 1.670 -9.386 -2.558 1.00 0.00 C ATOM 276 C ALA A 21 1.744 -9.583 -1.048 1.00 0.00 C ATOM 277 O ALA A 21 2.569 -8.968 -0.372 1.00 0.00 O ATOM 278 CB ALA A 21 2.698 -10.262 -3.258 1.00 0.00 C ATOM 0 H ALA A 21 2.686 -7.554 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 21 0.674 -9.681 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.536 -11.304 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.595 -10.152 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.700 -9.958 -2.957 1.00 0.00 H new ATOM 284 N ALA A 22 0.877 -10.444 -0.525 1.00 0.00 N ATOM 285 CA ALA A 22 0.846 -10.722 0.906 1.00 0.00 C ATOM 286 C ALA A 22 2.256 -10.784 1.484 1.00 0.00 C ATOM 287 O ALA A 22 2.978 -11.759 1.282 1.00 0.00 O ATOM 288 CB ALA A 22 0.106 -12.024 1.174 1.00 0.00 C ATOM 0 H ALA A 22 0.187 -10.961 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 22 0.316 -9.907 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.090 -12.220 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.916 -11.944 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.613 -12.843 0.663 1.00 0.00 H new ATOM 294 N GLY A 23 2.642 -9.735 2.204 1.00 0.00 N ATOM 295 CA GLY A 23 3.964 -9.690 2.800 1.00 0.00 C ATOM 296 C GLY A 23 4.865 -8.669 2.135 1.00 0.00 C ATOM 297 O GLY A 23 6.052 -8.581 2.449 1.00 0.00 O ATOM 0 H GLY A 23 2.062 -8.915 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.873 -9.454 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.424 -10.676 2.731 1.00 0.00 H new ATOM 301 N GLU A 24 4.301 -7.895 1.213 1.00 0.00 N ATOM 302 CA GLU A 24 5.063 -6.876 0.500 1.00 0.00 C ATOM 303 C GLU A 24 4.781 -5.489 1.070 1.00 0.00 C ATOM 304 O GLU A 24 4.059 -5.346 2.056 1.00 0.00 O ATOM 305 CB GLU A 24 4.725 -6.905 -0.992 1.00 0.00 C ATOM 306 CG GLU A 24 5.103 -8.208 -1.676 1.00 0.00 C ATOM 307 CD GLU A 24 6.604 -8.414 -1.750 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.277 -7.628 -2.449 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.104 -9.362 -1.109 1.00 0.00 O ATOM 0 H GLU A 24 3.319 -7.954 0.942 1.00 0.00 H new ATOM 0 HA GLU A 24 6.123 -7.095 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.656 -6.736 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.238 -6.081 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.652 -9.041 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.688 -8.218 -2.684 1.00 0.00 H new ATOM 316 N SER A 25 5.358 -4.470 0.441 1.00 0.00 N ATOM 317 CA SER A 25 5.174 -3.094 0.887 1.00 0.00 C ATOM 318 C SER A 25 4.345 -2.303 -0.120 1.00 0.00 C ATOM 319 O SER A 25 4.724 -2.168 -1.283 1.00 0.00 O ATOM 320 CB SER A 25 6.530 -2.416 1.093 1.00 0.00 C ATOM 321 OG SER A 25 7.285 -2.411 -0.106 1.00 0.00 O ATOM 0 H SER A 25 5.957 -4.571 -0.379 1.00 0.00 H new ATOM 0 HA SER A 25 4.639 -3.115 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.380 -1.392 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.085 -2.936 1.874 1.00 0.00 H new ATOM 0 HG SER A 25 6.682 -2.315 -0.872 1.00 0.00 H new ATOM 327 N ALA A 26 3.211 -1.781 0.336 1.00 0.00 N ATOM 328 CA ALA A 26 2.329 -1.001 -0.524 1.00 0.00 C ATOM 329 C ALA A 26 2.675 0.483 -0.465 1.00 0.00 C ATOM 330 O ALA A 26 2.834 1.052 0.616 1.00 0.00 O ATOM 331 CB ALA A 26 0.876 -1.222 -0.128 1.00 0.00 C ATOM 0 H ALA A 26 2.881 -1.884 1.296 1.00 0.00 H new ATOM 0 HA ALA A 26 2.471 -1.339 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.228 -0.634 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.628 -2.279 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.730 -0.912 0.907 1.00 0.00 H new ATOM 337 N THR A 27 2.792 1.105 -1.633 1.00 0.00 N ATOM 338 CA THR A 27 3.121 2.523 -1.715 1.00 0.00 C ATOM 339 C THR A 27 1.891 3.355 -2.058 1.00 0.00 C ATOM 340 O THR A 27 1.376 3.289 -3.175 1.00 0.00 O ATOM 341 CB THR A 27 4.215 2.786 -2.767 1.00 0.00 C ATOM 342 OG1 THR A 27 5.314 1.891 -2.565 1.00 0.00 O ATOM 343 CG2 THR A 27 4.704 4.224 -2.691 1.00 0.00 C ATOM 0 H THR A 27 2.664 0.649 -2.536 1.00 0.00 H new ATOM 0 HA THR A 27 3.493 2.818 -0.734 1.00 0.00 H new ATOM 0 HB THR A 27 3.787 2.617 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.004 2.063 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.476 4.386 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.870 4.902 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.116 4.416 -1.701 1.00 0.00 H new ATOM 351 N LEU A 28 1.423 4.137 -1.092 1.00 0.00 N ATOM 352 CA LEU A 28 0.252 4.983 -1.292 1.00 0.00 C ATOM 353 C LEU A 28 0.664 6.409 -1.642 1.00 0.00 C ATOM 354 O LEU A 28 0.931 7.224 -0.758 1.00 0.00 O ATOM 355 CB LEU A 28 -0.621 4.986 -0.036 1.00 0.00 C ATOM 356 CG LEU A 28 -1.066 3.616 0.476 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.698 3.740 1.854 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.037 2.971 -0.502 1.00 0.00 C ATOM 0 H LEU A 28 1.837 4.203 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.322 4.575 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.074 5.489 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.511 5.583 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.187 2.977 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.008 2.755 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.972 4.159 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.567 4.395 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.343 1.997 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.914 3.608 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.550 2.846 -1.469 1.00 0.00 H new ATOM 370 N ARG A 29 0.713 6.705 -2.937 1.00 0.00 N ATOM 371 CA ARG A 29 1.092 8.033 -3.404 1.00 0.00 C ATOM 372 C ARG A 29 0.064 9.075 -2.970 1.00 0.00 C ATOM 373 O ARG A 29 -1.142 8.831 -3.018 1.00 0.00 O ATOM 374 CB ARG A 29 1.230 8.042 -4.927 1.00 0.00 C ATOM 375 CG ARG A 29 2.455 7.296 -5.431 1.00 0.00 C ATOM 376 CD ARG A 29 3.668 8.211 -5.515 1.00 0.00 C ATOM 377 NE ARG A 29 3.477 9.285 -6.486 1.00 0.00 N ATOM 378 CZ ARG A 29 4.416 10.172 -6.795 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.605 10.113 -6.212 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.166 11.121 -7.688 1.00 0.00 N ATOM 0 H ARG A 29 0.495 6.043 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 29 2.054 8.287 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.337 7.597 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.276 9.075 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.673 6.461 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.247 6.874 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.866 8.641 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.545 7.626 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 29 2.573 9.358 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.800 9.385 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.325 10.795 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.252 11.170 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.888 11.802 -7.925 1.00 0.00 H new ATOM 394 N CYS A 30 0.551 10.237 -2.546 1.00 0.00 N ATOM 395 CA CYS A 30 -0.323 11.317 -2.103 1.00 0.00 C ATOM 396 C CYS A 30 0.446 12.630 -1.996 1.00 0.00 C ATOM 397 O CYS A 30 1.456 12.714 -1.298 1.00 0.00 O ATOM 398 CB CYS A 30 -0.953 10.969 -0.753 1.00 0.00 C ATOM 399 SG CYS A 30 -2.162 12.196 -0.158 1.00 0.00 S ATOM 0 H CYS A 30 1.546 10.455 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.113 11.440 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.445 9.999 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.162 10.865 -0.011 1.00 0.00 H new ATOM 404 N ALA A 31 -0.040 13.653 -2.691 1.00 0.00 N ATOM 405 CA ALA A 31 0.599 14.962 -2.672 1.00 0.00 C ATOM 406 C ALA A 31 -0.432 16.079 -2.794 1.00 0.00 C ATOM 407 O ALA A 31 -1.393 15.969 -3.555 1.00 0.00 O ATOM 408 CB ALA A 31 1.625 15.065 -3.791 1.00 0.00 C ATOM 0 H ALA A 31 -0.875 13.600 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 31 1.108 15.076 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.095 16.048 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.386 14.296 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.130 14.925 -4.752 1.00 0.00 H new ATOM 414 N MET A 32 -0.227 17.152 -2.038 1.00 0.00 N ATOM 415 CA MET A 32 -1.140 18.289 -2.062 1.00 0.00 C ATOM 416 C MET A 32 -0.631 19.375 -3.004 1.00 0.00 C ATOM 417 O MET A 32 0.576 19.580 -3.139 1.00 0.00 O ATOM 418 CB MET A 32 -1.315 18.861 -0.653 1.00 0.00 C ATOM 419 CG MET A 32 -1.867 17.857 0.346 1.00 0.00 C ATOM 420 SD MET A 32 -3.394 17.083 -0.220 1.00 0.00 S ATOM 421 CE MET A 32 -3.138 15.395 0.322 1.00 0.00 C ATOM 0 H MET A 32 0.563 17.258 -1.401 1.00 0.00 H new ATOM 0 HA MET A 32 -2.106 17.939 -2.427 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.352 19.225 -0.295 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.984 19.721 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.120 17.085 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.049 18.358 1.297 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.058 15.010 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.858 14.777 -0.531 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.342 15.369 1.066 1.00 0.00 H new ATOM 431 N THR A 33 -1.559 20.071 -3.655 1.00 0.00 N ATOM 432 CA THR A 33 -1.204 21.134 -4.586 1.00 0.00 C ATOM 433 C THR A 33 -0.719 22.375 -3.844 1.00 0.00 C ATOM 434 O THR A 33 -0.248 23.332 -4.458 1.00 0.00 O ATOM 435 CB THR A 33 -2.397 21.519 -5.481 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.447 22.079 -4.684 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.920 20.307 -6.237 1.00 0.00 C ATOM 0 H THR A 33 -2.562 19.917 -3.554 1.00 0.00 H new ATOM 0 HA THR A 33 -0.399 20.750 -5.212 1.00 0.00 H new ATOM 0 HB THR A 33 -2.056 22.259 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.201 22.323 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.762 20.604 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.127 19.900 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.246 19.548 -5.526 1.00 0.00 H new ATOM 445 N SER A 34 -0.837 22.351 -2.520 1.00 0.00 N ATOM 446 CA SER A 34 -0.413 23.476 -1.695 1.00 0.00 C ATOM 447 C SER A 34 -0.445 23.106 -0.215 1.00 0.00 C ATOM 448 O SER A 34 -0.857 22.005 0.153 1.00 0.00 O ATOM 449 CB SER A 34 -1.310 24.689 -1.949 1.00 0.00 C ATOM 450 OG SER A 34 -0.637 25.895 -1.635 1.00 0.00 O ATOM 0 H SER A 34 -1.222 21.565 -1.996 1.00 0.00 H new ATOM 0 HA SER A 34 0.612 23.728 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.620 24.703 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.216 24.607 -1.349 1.00 0.00 H new ATOM 0 HG SER A 34 -1.231 26.655 -1.807 1.00 0.00 H new ATOM 456 N LEU A 35 -0.007 24.033 0.630 1.00 0.00 N ATOM 457 CA LEU A 35 0.015 23.806 2.070 1.00 0.00 C ATOM 458 C LEU A 35 -1.198 24.444 2.741 1.00 0.00 C ATOM 459 O LEU A 35 -1.463 24.208 3.920 1.00 0.00 O ATOM 460 CB LEU A 35 1.302 24.371 2.676 1.00 0.00 C ATOM 461 CG LEU A 35 2.587 24.096 1.894 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.620 25.178 2.169 1.00 0.00 C ATOM 463 CD2 LEU A 35 3.143 22.724 2.247 1.00 0.00 C ATOM 0 H LEU A 35 0.338 24.949 0.342 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.020 22.730 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.188 25.450 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.417 23.963 3.680 1.00 0.00 H new ATOM 0 HG LEU A 35 2.352 24.108 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.528 24.966 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.222 26.146 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.851 25.198 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.057 22.545 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.363 22.684 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.408 21.959 1.999 1.00 0.00 H new ATOM 475 N ILE A 36 -1.931 25.251 1.981 1.00 0.00 N ATOM 476 CA ILE A 36 -3.118 25.919 2.501 1.00 0.00 C ATOM 477 C ILE A 36 -4.390 25.311 1.921 1.00 0.00 C ATOM 478 O ILE A 36 -4.489 25.041 0.724 1.00 0.00 O ATOM 479 CB ILE A 36 -3.095 27.427 2.190 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.779 28.048 2.662 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.279 28.121 2.847 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.395 27.653 4.070 1.00 0.00 C ATOM 0 H ILE A 36 -1.724 25.458 1.004 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.112 25.778 3.582 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.172 27.561 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.982 27.752 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.859 29.134 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.249 29.186 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.207 27.694 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.230 27.980 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.452 28.130 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.173 27.973 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.283 26.570 4.126 1.00 0.00 H new ATOM 494 N PRO A 37 -5.389 25.089 2.788 1.00 0.00 N ATOM 495 CA PRO A 37 -5.282 25.405 4.216 1.00 0.00 C ATOM 496 C PRO A 37 -4.314 24.479 4.944 1.00 0.00 C ATOM 497 O PRO A 37 -4.203 23.298 4.615 1.00 0.00 O ATOM 498 CB PRO A 37 -6.708 25.201 4.732 1.00 0.00 C ATOM 499 CG PRO A 37 -7.319 24.228 3.783 1.00 0.00 C ATOM 500 CD PRO A 37 -6.699 24.514 2.442 1.00 0.00 C ATOM 0 HA PRO A 37 -4.893 26.410 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.709 24.814 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.262 26.140 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.121 23.202 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.402 24.346 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.595 23.607 1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.303 25.211 1.860 1.00 0.00 H new ATOM 508 N VAL A 38 -3.614 25.023 5.934 1.00 0.00 N ATOM 509 CA VAL A 38 -2.655 24.244 6.710 1.00 0.00 C ATOM 510 C VAL A 38 -3.344 23.101 7.446 1.00 0.00 C ATOM 511 O VAL A 38 -4.505 23.211 7.839 1.00 0.00 O ATOM 512 CB VAL A 38 -1.913 25.125 7.733 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.829 25.483 8.894 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.658 24.423 8.229 1.00 0.00 C ATOM 0 H VAL A 38 -3.692 26.000 6.218 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.933 23.835 6.003 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.613 26.050 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.287 26.105 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.695 26.029 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.162 24.571 9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.146 25.060 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.932 23.482 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.005 24.224 7.387 1.00 0.00 H new ATOM 524 N GLY A 39 -2.620 22.001 7.631 1.00 0.00 N ATOM 525 CA GLY A 39 -3.178 20.852 8.320 1.00 0.00 C ATOM 526 C GLY A 39 -2.364 19.593 8.100 1.00 0.00 C ATOM 527 O GLY A 39 -1.683 19.437 7.086 1.00 0.00 O ATOM 0 H GLY A 39 -1.657 21.885 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.233 21.064 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.199 20.686 7.975 1.00 0.00 H new ATOM 531 N PRO A 40 -2.427 18.666 9.068 1.00 0.00 N ATOM 532 CA PRO A 40 -1.695 17.398 8.999 1.00 0.00 C ATOM 533 C PRO A 40 -2.254 16.463 7.932 1.00 0.00 C ATOM 534 O PRO A 40 -3.009 16.887 7.056 1.00 0.00 O ATOM 535 CB PRO A 40 -1.892 16.798 10.393 1.00 0.00 C ATOM 536 CG PRO A 40 -3.161 17.401 10.889 1.00 0.00 C ATOM 537 CD PRO A 40 -3.218 18.785 10.305 1.00 0.00 C ATOM 0 HA PRO A 40 -0.650 17.545 8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.960 15.711 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.056 17.039 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.022 16.810 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.177 17.436 11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.243 19.092 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.794 19.525 10.983 1.00 0.00 H new ATOM 545 N ILE A 41 -1.881 15.190 8.013 1.00 0.00 N ATOM 546 CA ILE A 41 -2.348 14.196 7.055 1.00 0.00 C ATOM 547 C ILE A 41 -2.755 12.905 7.757 1.00 0.00 C ATOM 548 O ILE A 41 -2.060 12.429 8.654 1.00 0.00 O ATOM 549 CB ILE A 41 -1.268 13.877 6.003 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.845 15.152 5.272 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.781 12.839 5.016 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.922 15.721 4.376 1.00 0.00 C ATOM 0 H ILE A 41 -1.257 14.823 8.732 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.216 14.624 6.554 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.396 13.466 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.560 15.905 6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.041 14.941 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.007 12.624 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.037 11.924 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.667 13.224 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.552 16.624 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.191 14.985 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.801 15.965 4.973 1.00 0.00 H new ATOM 564 N MET A 42 -3.885 12.343 7.340 1.00 0.00 N ATOM 565 CA MET A 42 -4.383 11.104 7.928 1.00 0.00 C ATOM 566 C MET A 42 -4.997 10.205 6.860 1.00 0.00 C ATOM 567 O MET A 42 -5.922 10.607 6.153 1.00 0.00 O ATOM 568 CB MET A 42 -5.419 11.409 9.011 1.00 0.00 C ATOM 569 CG MET A 42 -4.810 11.915 10.309 1.00 0.00 C ATOM 570 SD MET A 42 -6.038 12.148 11.608 1.00 0.00 S ATOM 571 CE MET A 42 -5.433 13.647 12.381 1.00 0.00 C ATOM 0 H MET A 42 -4.472 12.725 6.599 1.00 0.00 H new ATOM 0 HA MET A 42 -3.540 10.580 8.379 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.119 12.154 8.633 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.994 10.506 9.217 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.055 11.208 10.651 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.300 12.860 10.122 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.556 13.574 13.462 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.377 13.778 12.144 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.998 14.502 12.009 1.00 0.00 H new ATOM 581 N TRP A 43 -4.477 8.988 6.748 1.00 0.00 N ATOM 582 CA TRP A 43 -4.975 8.032 5.765 1.00 0.00 C ATOM 583 C TRP A 43 -6.141 7.228 6.330 1.00 0.00 C ATOM 584 O TRP A 43 -6.216 6.987 7.535 1.00 0.00 O ATOM 585 CB TRP A 43 -3.854 7.089 5.327 1.00 0.00 C ATOM 586 CG TRP A 43 -2.876 7.725 4.386 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.781 8.469 4.721 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.907 7.675 2.955 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.129 8.884 3.585 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.800 8.410 2.488 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.762 7.080 2.023 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.527 8.564 1.132 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.490 7.234 0.677 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.380 7.971 0.241 1.00 0.00 C ATOM 0 H TRP A 43 -3.711 8.640 7.325 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.329 8.591 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.321 6.736 6.210 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.292 6.214 4.847 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.473 8.698 5.731 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.283 9.453 3.562 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.620 6.510 2.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.672 9.131 0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.144 6.779 -0.052 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.194 8.073 -0.818 1.00 0.00 H new ATOM 605 N PHE A 44 -7.049 6.813 5.452 1.00 0.00 N ATOM 606 CA PHE A 44 -8.212 6.036 5.865 1.00 0.00 C ATOM 607 C PHE A 44 -8.688 5.129 4.734 1.00 0.00 C ATOM 608 O PHE A 44 -8.858 5.572 3.598 1.00 0.00 O ATOM 609 CB PHE A 44 -9.346 6.967 6.299 1.00 0.00 C ATOM 610 CG PHE A 44 -8.943 7.947 7.364 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.298 9.127 7.030 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.209 7.688 8.699 1.00 0.00 C ATOM 613 CE1 PHE A 44 -7.926 10.029 8.008 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.839 8.587 9.681 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.198 9.760 9.335 1.00 0.00 C ATOM 0 H PHE A 44 -7.002 7.002 4.451 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.920 5.412 6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.708 7.516 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.178 6.366 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.084 9.344 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.711 6.773 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.422 10.945 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.051 8.372 10.718 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.910 10.465 10.100 1.00 0.00 H new ATOM 625 N ARG A 45 -8.901 3.857 5.054 1.00 0.00 N ATOM 626 CA ARG A 45 -9.356 2.886 4.066 1.00 0.00 C ATOM 627 C ARG A 45 -10.808 2.492 4.320 1.00 0.00 C ATOM 628 O ARG A 45 -11.134 1.917 5.358 1.00 0.00 O ATOM 629 CB ARG A 45 -8.466 1.642 4.095 1.00 0.00 C ATOM 630 CG ARG A 45 -8.703 0.697 2.928 1.00 0.00 C ATOM 631 CD ARG A 45 -8.381 -0.741 3.303 1.00 0.00 C ATOM 632 NE ARG A 45 -8.963 -1.115 4.589 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.243 -1.431 4.752 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.070 -1.417 3.716 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.698 -1.761 5.954 1.00 0.00 N ATOM 0 H ARG A 45 -8.766 3.475 5.990 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.290 3.349 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.421 1.953 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.637 1.104 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.742 0.767 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.087 1.000 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.755 -1.410 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.300 -0.872 3.343 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.354 -1.135 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.724 -1.163 2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.052 -1.660 3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.065 -1.772 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.681 -2.003 6.078 1.00 0.00 H new ATOM 649 N GLY A 46 -11.678 2.805 3.364 1.00 0.00 N ATOM 650 CA GLY A 46 -13.084 2.477 3.503 1.00 0.00 C ATOM 651 C GLY A 46 -13.949 3.705 3.710 1.00 0.00 C ATOM 652 O GLY A 46 -14.931 3.663 4.449 1.00 0.00 O ATOM 0 H GLY A 46 -11.433 3.280 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.420 1.946 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.214 1.799 4.346 1.00 0.00 H new ATOM 656 N ALA A 47 -13.581 4.802 3.055 1.00 0.00 N ATOM 657 CA ALA A 47 -14.331 6.047 3.170 1.00 0.00 C ATOM 658 C ALA A 47 -15.833 5.788 3.137 1.00 0.00 C ATOM 659 O ALA A 47 -16.308 4.923 2.403 1.00 0.00 O ATOM 660 CB ALA A 47 -13.934 7.006 2.059 1.00 0.00 C ATOM 0 H ALA A 47 -12.769 4.854 2.440 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.089 6.501 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.502 7.931 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.869 7.225 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.147 6.551 1.092 1.00 0.00 H new ATOM 690 N ARG A 51 -14.719 4.143 7.381 1.00 0.00 N ATOM 691 CA ARG A 51 -13.307 4.008 7.045 1.00 0.00 C ATOM 692 C ARG A 51 -12.517 3.457 8.229 1.00 0.00 C ATOM 693 O ARG A 51 -13.084 3.155 9.278 1.00 0.00 O ATOM 694 CB ARG A 51 -12.731 5.359 6.618 1.00 0.00 C ATOM 695 CG ARG A 51 -12.651 6.372 7.748 1.00 0.00 C ATOM 696 CD ARG A 51 -13.942 7.167 7.875 1.00 0.00 C ATOM 697 NE ARG A 51 -14.872 6.553 8.819 1.00 0.00 N ATOM 698 CZ ARG A 51 -15.935 7.177 9.313 1.00 0.00 C ATOM 699 NH1 ARG A 51 -16.202 8.425 8.955 1.00 0.00 N ATOM 700 NH2 ARG A 51 -16.735 6.552 10.168 1.00 0.00 N ATOM 0 HA ARG A 51 -13.222 3.306 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.733 5.205 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.345 5.769 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.446 5.857 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.819 7.053 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.712 8.182 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.417 7.246 6.897 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.695 5.593 9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.590 8.909 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.019 8.901 9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.534 5.592 10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.551 7.032 10.547 1.00 0.00 H new ATOM 714 N GLU A 52 -11.206 3.331 8.052 1.00 0.00 N ATOM 715 CA GLU A 52 -10.339 2.815 9.105 1.00 0.00 C ATOM 716 C GLU A 52 -8.987 3.522 9.091 1.00 0.00 C ATOM 717 O GLU A 52 -8.161 3.289 8.208 1.00 0.00 O ATOM 718 CB GLU A 52 -10.141 1.307 8.941 1.00 0.00 C ATOM 719 CG GLU A 52 -9.311 0.678 10.048 1.00 0.00 C ATOM 720 CD GLU A 52 -9.157 -0.821 9.881 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.169 -1.540 10.013 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.023 -1.275 9.618 1.00 0.00 O ATOM 0 H GLU A 52 -10.721 3.579 7.190 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.820 3.008 10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.117 0.822 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.659 1.114 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.324 1.141 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.778 0.887 11.011 1.00 0.00 H new ATOM 729 N LEU A 53 -8.768 4.387 10.076 1.00 0.00 N ATOM 730 CA LEU A 53 -7.516 5.129 10.178 1.00 0.00 C ATOM 731 C LEU A 53 -6.321 4.221 9.905 1.00 0.00 C ATOM 732 O LEU A 53 -6.121 3.218 10.591 1.00 0.00 O ATOM 733 CB LEU A 53 -7.386 5.759 11.566 1.00 0.00 C ATOM 734 CG LEU A 53 -6.146 6.624 11.796 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.133 7.804 10.837 1.00 0.00 C ATOM 736 CD2 LEU A 53 -6.093 7.106 13.239 1.00 0.00 C ATOM 0 H LEU A 53 -9.441 4.592 10.815 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.528 5.919 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.270 6.370 11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.390 4.960 12.308 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.262 6.017 11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.243 8.408 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.123 7.438 9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.023 8.413 10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.204 7.720 13.385 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.982 7.697 13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.054 6.247 13.908 1.00 0.00 H new ATOM 748 N ILE A 54 -5.529 4.580 8.900 1.00 0.00 N ATOM 749 CA ILE A 54 -4.352 3.800 8.539 1.00 0.00 C ATOM 750 C ILE A 54 -3.080 4.439 9.085 1.00 0.00 C ATOM 751 O ILE A 54 -2.186 3.748 9.574 1.00 0.00 O ATOM 752 CB ILE A 54 -4.223 3.650 7.012 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.455 2.945 6.441 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.957 2.883 6.660 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.595 1.509 6.896 1.00 0.00 C ATOM 0 H ILE A 54 -5.681 5.406 8.321 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.479 2.813 8.984 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.158 4.644 6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.348 3.498 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.406 2.969 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.880 2.785 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.088 3.422 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.995 1.892 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.490 1.072 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.720 0.941 6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.677 1.478 7.983 1.00 0.00 H new ATOM 767 N TYR A 55 -3.006 5.763 9.000 1.00 0.00 N ATOM 768 CA TYR A 55 -1.843 6.496 9.486 1.00 0.00 C ATOM 769 C TYR A 55 -2.257 7.830 10.099 1.00 0.00 C ATOM 770 O TYR A 55 -3.308 8.378 9.769 1.00 0.00 O ATOM 771 CB TYR A 55 -0.851 6.732 8.346 1.00 0.00 C ATOM 772 CG TYR A 55 0.443 7.375 8.792 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.361 6.671 9.562 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.746 8.685 8.445 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.544 7.254 9.973 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.928 9.276 8.851 1.00 0.00 C ATOM 777 CZ TYR A 55 2.823 8.557 9.614 1.00 0.00 C ATOM 778 OH TYR A 55 4.000 9.142 10.021 1.00 0.00 O ATOM 0 H TYR A 55 -3.737 6.350 8.599 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.363 5.895 10.259 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.627 5.779 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.320 7.364 7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.146 5.651 9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.047 9.252 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.246 6.693 10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.149 10.296 8.572 1.00 0.00 H new ATOM 0 HH TYR A 55 4.042 10.061 9.683 1.00 0.00 H new ATOM 788 N ASN A 56 -1.421 8.348 10.993 1.00 0.00 N ATOM 789 CA ASN A 56 -1.699 9.618 11.654 1.00 0.00 C ATOM 790 C ASN A 56 -0.424 10.441 11.809 1.00 0.00 C ATOM 791 O ASN A 56 0.459 10.092 12.592 1.00 0.00 O ATOM 792 CB ASN A 56 -2.334 9.376 13.025 1.00 0.00 C ATOM 793 CG ASN A 56 -2.540 10.662 13.802 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.419 10.686 15.027 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.852 11.739 13.091 1.00 0.00 N ATOM 0 H ASN A 56 -0.546 7.908 11.276 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.398 10.177 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.294 8.876 12.895 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.700 8.703 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.002 12.633 13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.942 11.672 12.077 1.00 0.00 H new ATOM 802 N GLN A 57 -0.336 11.534 11.058 1.00 0.00 N ATOM 803 CA GLN A 57 0.831 12.406 11.113 1.00 0.00 C ATOM 804 C GLN A 57 0.998 13.006 12.505 1.00 0.00 C ATOM 805 O GLN A 57 2.071 12.926 13.104 1.00 0.00 O ATOM 806 CB GLN A 57 0.709 13.522 10.074 1.00 0.00 C ATOM 807 CG GLN A 57 2.040 14.155 9.702 1.00 0.00 C ATOM 808 CD GLN A 57 1.879 15.386 8.832 1.00 0.00 C ATOM 809 OE1 GLN A 57 0.762 15.843 8.585 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.995 15.930 8.362 1.00 0.00 N ATOM 0 H GLN A 57 -1.059 11.837 10.405 1.00 0.00 H new ATOM 0 HA GLN A 57 1.713 11.806 10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.243 13.120 9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.044 14.295 10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.576 14.426 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.652 13.422 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.899 15.518 8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.948 16.760 7.771 1.00 0.00 H new ATOM 819 N LYS A 58 -0.071 13.609 13.016 1.00 0.00 N ATOM 820 CA LYS A 58 -0.045 14.222 14.338 1.00 0.00 C ATOM 821 C LYS A 58 0.713 13.346 15.330 1.00 0.00 C ATOM 822 O LYS A 58 1.738 13.754 15.875 1.00 0.00 O ATOM 823 CB LYS A 58 -1.471 14.463 14.839 1.00 0.00 C ATOM 824 CG LYS A 58 -1.532 15.138 16.198 1.00 0.00 C ATOM 825 CD LYS A 58 -2.781 15.991 16.342 1.00 0.00 C ATOM 826 CE LYS A 58 -2.538 17.418 15.875 1.00 0.00 C ATOM 827 NZ LYS A 58 -3.694 18.306 16.178 1.00 0.00 N ATOM 0 H LYS A 58 -0.966 13.686 12.534 1.00 0.00 H new ATOM 0 HA LYS A 58 0.472 15.178 14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.003 15.078 14.113 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.994 13.508 14.893 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.515 14.381 16.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.648 15.760 16.336 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.592 15.551 15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.100 15.997 17.384 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.643 17.810 16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.349 17.421 14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.489 19.269 15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.543 17.947 15.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.859 18.323 17.205 1.00 0.00 H new ATOM 841 N GLU A 59 0.202 12.140 15.557 1.00 0.00 N ATOM 842 CA GLU A 59 0.833 11.206 16.483 1.00 0.00 C ATOM 843 C GLU A 59 0.518 9.763 16.100 1.00 0.00 C ATOM 844 O GLU A 59 -0.316 9.508 15.232 1.00 0.00 O ATOM 845 CB GLU A 59 0.365 11.479 17.914 1.00 0.00 C ATOM 846 CG GLU A 59 -1.130 11.292 18.112 1.00 0.00 C ATOM 847 CD GLU A 59 -1.515 11.180 19.575 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.351 12.175 20.310 1.00 0.00 O ATOM 849 OE2 GLU A 59 -1.980 10.095 19.983 1.00 0.00 O ATOM 0 H GLU A 59 -0.646 11.787 15.113 1.00 0.00 H new ATOM 0 HA GLU A 59 1.912 11.351 16.427 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.899 10.816 18.595 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.634 12.499 18.187 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.660 12.132 17.664 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.453 10.394 17.585 1.00 0.00 H new ATOM 856 N GLY A 60 1.191 8.822 16.755 1.00 0.00 N ATOM 857 CA GLY A 60 0.971 7.417 16.469 1.00 0.00 C ATOM 858 C GLY A 60 2.219 6.726 15.956 1.00 0.00 C ATOM 859 O GLY A 60 2.832 7.176 14.988 1.00 0.00 O ATOM 0 H GLY A 60 1.885 9.008 17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.628 6.915 17.374 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.176 7.320 15.729 1.00 0.00 H new ATOM 863 N HIS A 61 2.597 5.631 16.607 1.00 0.00 N ATOM 864 CA HIS A 61 3.782 4.877 16.212 1.00 0.00 C ATOM 865 C HIS A 61 3.432 3.827 15.162 1.00 0.00 C ATOM 866 O HIS A 61 2.751 2.844 15.456 1.00 0.00 O ATOM 867 CB HIS A 61 4.416 4.207 17.431 1.00 0.00 C ATOM 868 CG HIS A 61 5.223 2.991 17.093 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.544 3.050 16.701 1.00 0.00 N ATOM 870 CD2 HIS A 61 4.890 1.679 17.091 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.988 1.827 16.472 1.00 0.00 C ATOM 872 NE2 HIS A 61 6.004 0.977 16.702 1.00 0.00 N ATOM 0 H HIS A 61 2.100 5.246 17.410 1.00 0.00 H new ATOM 0 HA HIS A 61 4.499 5.574 15.778 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.056 4.928 17.940 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.630 3.928 18.132 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.927 1.262 17.348 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.986 1.567 16.151 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.062 -0.037 16.606 1.00 0.00 H new ATOM 881 N PHE A 62 3.901 4.041 13.938 1.00 0.00 N ATOM 882 CA PHE A 62 3.636 3.114 12.844 1.00 0.00 C ATOM 883 C PHE A 62 4.937 2.538 12.292 1.00 0.00 C ATOM 884 O PHE A 62 5.628 3.162 11.486 1.00 0.00 O ATOM 885 CB PHE A 62 2.862 3.816 11.727 1.00 0.00 C ATOM 886 CG PHE A 62 1.440 4.135 12.093 1.00 0.00 C ATOM 887 CD1 PHE A 62 1.135 5.281 12.809 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.409 3.288 11.720 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.172 5.577 13.147 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.900 3.579 12.054 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.191 4.725 12.769 1.00 0.00 C ATOM 0 H PHE A 62 4.467 4.849 13.678 1.00 0.00 H new ATOM 0 HA PHE A 62 3.033 2.295 13.234 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.377 4.740 11.464 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.867 3.184 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.928 5.951 13.107 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.631 2.390 11.162 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.396 6.473 13.706 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.695 2.911 11.756 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.213 4.954 13.032 1.00 0.00 H new ATOM 901 N PRO A 63 5.280 1.320 12.736 1.00 0.00 N ATOM 902 CA PRO A 63 6.500 0.633 12.300 1.00 0.00 C ATOM 903 C PRO A 63 6.425 0.189 10.843 1.00 0.00 C ATOM 904 O PRO A 63 7.405 0.287 10.104 1.00 0.00 O ATOM 905 CB PRO A 63 6.572 -0.583 13.227 1.00 0.00 C ATOM 906 CG PRO A 63 5.162 -0.832 13.637 1.00 0.00 C ATOM 907 CD PRO A 63 4.504 0.519 13.697 1.00 0.00 C ATOM 0 HA PRO A 63 7.375 1.280 12.355 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.993 -1.447 12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.206 -0.385 14.091 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.656 -1.481 12.922 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.119 -1.330 14.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.452 0.466 13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.547 0.943 14.700 1.00 0.00 H new ATOM 915 N ARG A 64 5.258 -0.300 10.437 1.00 0.00 N ATOM 916 CA ARG A 64 5.057 -0.761 9.069 1.00 0.00 C ATOM 917 C ARG A 64 5.055 0.414 8.095 1.00 0.00 C ATOM 918 O ARG A 64 5.593 0.320 6.991 1.00 0.00 O ATOM 919 CB ARG A 64 3.741 -1.532 8.956 1.00 0.00 C ATOM 920 CG ARG A 64 3.791 -2.916 9.582 1.00 0.00 C ATOM 921 CD ARG A 64 2.424 -3.582 9.571 1.00 0.00 C ATOM 922 NE ARG A 64 1.442 -2.829 10.346 1.00 0.00 N ATOM 923 CZ ARG A 64 0.240 -3.297 10.663 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.127 -4.510 10.273 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.599 -2.551 11.371 1.00 0.00 N ATOM 0 H ARG A 64 4.437 -0.387 11.036 1.00 0.00 H new ATOM 0 HA ARG A 64 5.882 -1.425 8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.949 -0.955 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.475 -1.628 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.504 -3.537 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.152 -2.840 10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.077 -3.679 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.509 -4.591 9.976 1.00 0.00 H new ATOM 0 HE ARG A 64 1.693 -1.892 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.514 -5.086 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.051 -4.867 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.321 -1.617 11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.522 -2.912 11.614 1.00 0.00 H new ATOM 939 N VAL A 65 4.447 1.520 8.511 1.00 0.00 N ATOM 940 CA VAL A 65 4.375 2.714 7.676 1.00 0.00 C ATOM 941 C VAL A 65 5.697 3.474 7.690 1.00 0.00 C ATOM 942 O VAL A 65 6.178 3.887 8.745 1.00 0.00 O ATOM 943 CB VAL A 65 3.249 3.656 8.140 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.164 4.874 7.232 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.920 2.917 8.180 1.00 0.00 C ATOM 0 H VAL A 65 3.997 1.615 9.421 1.00 0.00 H new ATOM 0 HA VAL A 65 4.162 2.379 6.661 1.00 0.00 H new ATOM 0 HB VAL A 65 3.478 4.000 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.363 5.528 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.110 5.414 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.958 4.553 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.135 3.598 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.681 2.543 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.990 2.080 8.874 1.00 0.00 H new ATOM 955 N THR A 66 6.281 3.656 6.509 1.00 0.00 N ATOM 956 CA THR A 66 7.547 4.366 6.385 1.00 0.00 C ATOM 957 C THR A 66 7.402 5.598 5.498 1.00 0.00 C ATOM 958 O THR A 66 7.146 5.486 4.299 1.00 0.00 O ATOM 959 CB THR A 66 8.646 3.456 5.804 1.00 0.00 C ATOM 960 OG1 THR A 66 8.863 2.337 6.670 1.00 0.00 O ATOM 961 CG2 THR A 66 9.947 4.225 5.626 1.00 0.00 C ATOM 0 H THR A 66 5.897 3.321 5.625 1.00 0.00 H new ATOM 0 HA THR A 66 7.835 4.677 7.389 1.00 0.00 H new ATOM 0 HB THR A 66 8.315 3.101 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.562 1.762 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.708 3.562 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.786 5.060 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.280 4.605 6.592 1.00 0.00 H new ATOM 969 N THR A 67 7.568 6.774 6.095 1.00 0.00 N ATOM 970 CA THR A 67 7.455 8.027 5.360 1.00 0.00 C ATOM 971 C THR A 67 8.532 8.134 4.287 1.00 0.00 C ATOM 972 O THR A 67 9.703 8.365 4.589 1.00 0.00 O ATOM 973 CB THR A 67 7.562 9.242 6.301 1.00 0.00 C ATOM 974 OG1 THR A 67 8.651 9.062 7.212 1.00 0.00 O ATOM 975 CG2 THR A 67 6.270 9.438 7.080 1.00 0.00 C ATOM 0 H THR A 67 7.781 6.885 7.086 1.00 0.00 H new ATOM 0 HA THR A 67 6.473 8.028 4.887 1.00 0.00 H new ATOM 0 HB THR A 67 7.740 10.129 5.694 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.433 8.727 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.369 10.302 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.447 9.604 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.066 8.549 7.677 1.00 0.00 H new ATOM 983 N VAL A 68 8.129 7.965 3.031 1.00 0.00 N ATOM 984 CA VAL A 68 9.060 8.045 1.912 1.00 0.00 C ATOM 985 C VAL A 68 9.892 9.321 1.979 1.00 0.00 C ATOM 986 O VAL A 68 11.122 9.275 1.942 1.00 0.00 O ATOM 987 CB VAL A 68 8.321 7.997 0.562 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.296 8.193 -0.588 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.566 6.684 0.415 1.00 0.00 C ATOM 0 H VAL A 68 7.164 7.772 2.763 1.00 0.00 H new ATOM 0 HA VAL A 68 9.720 7.181 1.987 1.00 0.00 H new ATOM 0 HB VAL A 68 7.597 8.811 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.755 8.156 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.787 9.161 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.046 7.402 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.049 6.667 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.269 5.853 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.838 6.591 1.221 1.00 0.00 H new ATOM 999 N SER A 69 9.213 10.459 2.078 1.00 0.00 N ATOM 1000 CA SER A 69 9.889 11.749 2.147 1.00 0.00 C ATOM 1001 C SER A 69 9.903 12.279 3.577 1.00 0.00 C ATOM 1002 O SER A 69 9.377 11.645 4.490 1.00 0.00 O ATOM 1003 CB SER A 69 9.203 12.758 1.223 1.00 0.00 C ATOM 1004 OG SER A 69 10.113 13.753 0.790 1.00 0.00 O ATOM 0 H SER A 69 8.195 10.514 2.112 1.00 0.00 H new ATOM 0 HA SER A 69 10.919 11.610 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.787 12.240 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.369 13.226 1.746 1.00 0.00 H new ATOM 0 HG SER A 69 9.651 14.384 0.200 1.00 0.00 H new ATOM 1010 N GLU A 70 10.509 13.448 3.762 1.00 0.00 N ATOM 1011 CA GLU A 70 10.593 14.064 5.081 1.00 0.00 C ATOM 1012 C GLU A 70 9.475 15.084 5.278 1.00 0.00 C ATOM 1013 O GLU A 70 9.123 15.822 4.356 1.00 0.00 O ATOM 1014 CB GLU A 70 11.953 14.740 5.268 1.00 0.00 C ATOM 1015 CG GLU A 70 12.148 15.345 6.648 1.00 0.00 C ATOM 1016 CD GLU A 70 12.507 14.308 7.694 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.490 13.567 7.483 1.00 0.00 O ATOM 1018 OE2 GLU A 70 11.805 14.239 8.725 1.00 0.00 O ATOM 0 H GLU A 70 10.949 13.987 3.016 1.00 0.00 H new ATOM 0 HA GLU A 70 10.480 13.278 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.741 14.009 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.066 15.523 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.935 16.098 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.234 15.857 6.948 1.00 0.00 H new ATOM 1025 N LEU A 71 8.919 15.118 6.483 1.00 0.00 N ATOM 1026 CA LEU A 71 7.839 16.046 6.802 1.00 0.00 C ATOM 1027 C LEU A 71 8.365 17.243 7.588 1.00 0.00 C ATOM 1028 O LEU A 71 7.880 18.365 7.432 1.00 0.00 O ATOM 1029 CB LEU A 71 6.748 15.335 7.604 1.00 0.00 C ATOM 1030 CG LEU A 71 6.296 13.977 7.064 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.490 13.227 8.114 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.484 14.153 5.790 1.00 0.00 C ATOM 0 H LEU A 71 9.198 14.514 7.256 1.00 0.00 H new ATOM 0 HA LEU A 71 7.415 16.407 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.106 15.197 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.879 15.990 7.657 1.00 0.00 H new ATOM 0 HG LEU A 71 7.182 13.388 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.177 12.263 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.105 13.068 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.610 13.811 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.171 13.177 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.604 14.760 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.094 14.648 5.035 1.00 0.00 H new ATOM 1118 N ASN A 76 6.916 21.222 2.366 1.00 0.00 N ATOM 1119 CA ASN A 76 6.806 19.813 2.003 1.00 0.00 C ATOM 1120 C ASN A 76 5.360 19.446 1.683 1.00 0.00 C ATOM 1121 O ASN A 76 4.437 19.824 2.405 1.00 0.00 O ATOM 1122 CB ASN A 76 7.328 18.931 3.139 1.00 0.00 C ATOM 1123 CG ASN A 76 6.243 18.564 4.133 1.00 0.00 C ATOM 1124 OD1 ASN A 76 5.832 19.387 4.951 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.775 17.324 4.066 1.00 0.00 N ATOM 0 HA ASN A 76 7.411 19.644 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.756 18.020 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.132 19.452 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.044 17.019 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.146 16.676 3.371 1.00 0.00 H new ATOM 1132 N LEU A 77 5.171 18.705 0.596 1.00 0.00 N ATOM 1133 CA LEU A 77 3.838 18.285 0.179 1.00 0.00 C ATOM 1134 C LEU A 77 3.776 16.772 -0.005 1.00 0.00 C ATOM 1135 O LEU A 77 2.711 16.166 0.110 1.00 0.00 O ATOM 1136 CB LEU A 77 3.444 18.985 -1.123 1.00 0.00 C ATOM 1137 CG LEU A 77 3.332 20.509 -1.058 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.521 21.117 -2.439 1.00 0.00 C ATOM 1139 CD2 LEU A 77 1.990 20.921 -0.471 1.00 0.00 C ATOM 0 H LEU A 77 5.924 18.383 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 77 3.134 18.566 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.177 18.727 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.485 18.584 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 77 4.121 20.885 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.438 22.202 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.506 20.851 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.754 20.735 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.928 22.009 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.185 20.534 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.894 20.516 0.536 1.00 0.00 H new ATOM 1151 N ASP A 78 4.925 16.169 -0.289 1.00 0.00 N ATOM 1152 CA ASP A 78 5.003 14.726 -0.486 1.00 0.00 C ATOM 1153 C ASP A 78 4.464 13.982 0.732 1.00 0.00 C ATOM 1154 O ASP A 78 5.033 14.057 1.821 1.00 0.00 O ATOM 1155 CB ASP A 78 6.448 14.305 -0.758 1.00 0.00 C ATOM 1156 CG ASP A 78 7.262 15.409 -1.403 1.00 0.00 C ATOM 1157 OD1 ASP A 78 7.284 15.478 -2.650 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.877 16.204 -0.662 1.00 0.00 O ATOM 0 H ASP A 78 5.815 16.657 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 78 4.389 14.467 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.920 14.010 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.452 13.429 -1.406 1.00 0.00 H new ATOM 1163 N PHE A 79 3.361 13.265 0.540 1.00 0.00 N ATOM 1164 CA PHE A 79 2.743 12.508 1.622 1.00 0.00 C ATOM 1165 C PHE A 79 2.556 11.047 1.227 1.00 0.00 C ATOM 1166 O PHE A 79 1.511 10.451 1.486 1.00 0.00 O ATOM 1167 CB PHE A 79 1.393 13.124 1.997 1.00 0.00 C ATOM 1168 CG PHE A 79 1.508 14.482 2.627 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.304 14.677 3.744 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.820 15.564 2.102 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.410 15.926 4.326 1.00 0.00 C ATOM 1172 CE2 PHE A 79 0.923 16.816 2.679 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.720 16.997 3.793 1.00 0.00 C ATOM 0 H PHE A 79 2.877 13.193 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 79 3.406 12.550 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.776 13.199 1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.876 12.455 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.848 13.844 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.196 15.428 1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.032 16.065 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.381 17.651 2.260 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.803 17.974 4.246 1.00 0.00 H new ATOM 1183 N SER A 80 3.578 10.475 0.597 1.00 0.00 N ATOM 1184 CA SER A 80 3.526 9.084 0.161 1.00 0.00 C ATOM 1185 C SER A 80 4.105 8.159 1.227 1.00 0.00 C ATOM 1186 O SER A 80 5.269 8.284 1.607 1.00 0.00 O ATOM 1187 CB SER A 80 4.291 8.910 -1.152 1.00 0.00 C ATOM 1188 OG SER A 80 4.179 10.066 -1.965 1.00 0.00 O ATOM 0 H SER A 80 4.452 10.953 0.377 1.00 0.00 H new ATOM 0 HA SER A 80 2.481 8.817 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.342 8.711 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.904 8.044 -1.690 1.00 0.00 H new ATOM 0 HG SER A 80 4.678 9.930 -2.797 1.00 0.00 H new ATOM 1194 N ILE A 81 3.283 7.230 1.704 1.00 0.00 N ATOM 1195 CA ILE A 81 3.713 6.283 2.725 1.00 0.00 C ATOM 1196 C ILE A 81 3.857 4.879 2.147 1.00 0.00 C ATOM 1197 O ILE A 81 3.224 4.541 1.147 1.00 0.00 O ATOM 1198 CB ILE A 81 2.726 6.241 3.906 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.292 6.080 3.395 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.854 7.501 4.749 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.338 5.538 4.436 1.00 0.00 C ATOM 0 H ILE A 81 2.316 7.113 1.400 1.00 0.00 H new ATOM 0 HA ILE A 81 4.683 6.626 3.085 1.00 0.00 H new ATOM 0 HB ILE A 81 2.968 5.382 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.928 7.047 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.295 5.412 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.150 7.456 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.869 7.577 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.635 8.374 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.659 5.450 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.679 4.557 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.306 6.216 5.289 1.00 0.00 H new ATOM 1213 N SER A 82 4.692 4.065 2.785 1.00 0.00 N ATOM 1214 CA SER A 82 4.920 2.697 2.333 1.00 0.00 C ATOM 1215 C SER A 82 4.627 1.700 3.449 1.00 0.00 C ATOM 1216 O SER A 82 5.443 1.503 4.351 1.00 0.00 O ATOM 1217 CB SER A 82 6.363 2.531 1.851 1.00 0.00 C ATOM 1218 OG SER A 82 7.281 3.026 2.810 1.00 0.00 O ATOM 0 H SER A 82 5.222 4.329 3.616 1.00 0.00 H new ATOM 0 HA SER A 82 4.242 2.497 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.566 1.478 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.498 3.060 0.907 1.00 0.00 H new ATOM 0 HG SER A 82 7.047 3.950 3.040 1.00 0.00 H new ATOM 1224 N ILE A 83 3.457 1.074 3.382 1.00 0.00 N ATOM 1225 CA ILE A 83 3.056 0.096 4.387 1.00 0.00 C ATOM 1226 C ILE A 83 3.679 -1.267 4.106 1.00 0.00 C ATOM 1227 O ILE A 83 3.330 -1.932 3.130 1.00 0.00 O ATOM 1228 CB ILE A 83 1.525 -0.054 4.446 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.866 1.304 4.697 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.131 -1.048 5.528 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.644 1.241 4.759 1.00 0.00 C ATOM 0 H ILE A 83 2.770 1.226 2.643 1.00 0.00 H new ATOM 0 HA ILE A 83 3.414 0.465 5.348 1.00 0.00 H new ATOM 0 HB ILE A 83 1.175 -0.434 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.243 1.714 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.161 1.993 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.046 -1.143 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.574 -2.019 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.490 -0.695 6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.043 2.239 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.031 0.861 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.948 0.577 5.569 1.00 0.00 H new ATOM 1243 N SER A 84 4.602 -1.679 4.969 1.00 0.00 N ATOM 1244 CA SER A 84 5.276 -2.963 4.814 1.00 0.00 C ATOM 1245 C SER A 84 4.463 -4.084 5.454 1.00 0.00 C ATOM 1246 O SER A 84 3.608 -3.838 6.304 1.00 0.00 O ATOM 1247 CB SER A 84 6.672 -2.909 5.437 1.00 0.00 C ATOM 1248 OG SER A 84 7.317 -4.168 5.352 1.00 0.00 O ATOM 0 H SER A 84 4.900 -1.142 5.783 1.00 0.00 H new ATOM 0 HA SER A 84 5.370 -3.170 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.272 -2.154 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.596 -2.605 6.481 1.00 0.00 H new ATOM 0 HG SER A 84 8.208 -4.107 5.755 1.00 0.00 H new ATOM 1254 N ASN A 85 4.737 -5.317 5.040 1.00 0.00 N ATOM 1255 CA ASN A 85 4.032 -6.477 5.572 1.00 0.00 C ATOM 1256 C ASN A 85 2.546 -6.413 5.231 1.00 0.00 C ATOM 1257 O ASN A 85 1.692 -6.577 6.103 1.00 0.00 O ATOM 1258 CB ASN A 85 4.216 -6.560 7.089 1.00 0.00 C ATOM 1259 CG ASN A 85 3.623 -7.827 7.674 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.680 -7.777 8.464 1.00 0.00 O ATOM 1261 ND2 ASN A 85 4.176 -8.972 7.289 1.00 0.00 N ATOM 0 H ASN A 85 5.443 -5.538 4.337 1.00 0.00 H new ATOM 0 HA ASN A 85 4.454 -7.371 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.279 -6.516 7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.749 -5.694 7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.820 -9.857 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.956 -8.966 6.632 1.00 0.00 H new ATOM 1268 N ILE A 86 2.246 -6.175 3.959 1.00 0.00 N ATOM 1269 CA ILE A 86 0.864 -6.092 3.503 1.00 0.00 C ATOM 1270 C ILE A 86 0.127 -7.407 3.739 1.00 0.00 C ATOM 1271 O ILE A 86 0.730 -8.481 3.724 1.00 0.00 O ATOM 1272 CB ILE A 86 0.785 -5.733 2.007 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.206 -4.279 1.787 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.622 -5.969 1.480 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.291 -3.277 2.455 1.00 0.00 C ATOM 0 H ILE A 86 2.941 -6.036 3.226 1.00 0.00 H new ATOM 0 HA ILE A 86 0.387 -5.302 4.083 1.00 0.00 H new ATOM 0 HB ILE A 86 1.471 -6.377 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.219 -4.142 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.234 -4.076 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.662 -5.711 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.887 -7.018 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.326 -5.347 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.650 -2.267 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.719 -3.387 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.281 -3.454 3.531 1.00 0.00 H new ATOM 1287 N THR A 87 -1.181 -7.315 3.954 1.00 0.00 N ATOM 1288 CA THR A 87 -2.001 -8.496 4.192 1.00 0.00 C ATOM 1289 C THR A 87 -3.249 -8.484 3.317 1.00 0.00 C ATOM 1290 O THR A 87 -3.753 -7.431 2.926 1.00 0.00 O ATOM 1291 CB THR A 87 -2.425 -8.598 5.670 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.013 -7.364 6.097 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.231 -8.929 6.553 1.00 0.00 C ATOM 0 H THR A 87 -1.696 -6.434 3.968 1.00 0.00 H new ATOM 0 HA THR A 87 -1.390 -9.362 3.937 1.00 0.00 H new ATOM 0 HB THR A 87 -3.158 -9.400 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.307 -6.702 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.554 -8.996 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.803 -9.883 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.479 -8.146 6.457 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.763 -9.683 3.002 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.960 -9.836 2.170 1.00 0.00 C ATOM 1303 C PRO A 88 -6.225 -9.373 2.884 1.00 0.00 C ATOM 1304 O PRO A 88 -7.323 -9.448 2.333 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.017 -11.343 1.905 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.293 -11.957 3.053 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.215 -10.979 3.433 1.00 0.00 C ATOM 0 HA PRO A 88 -4.907 -9.231 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.047 -11.697 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.543 -11.596 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.969 -12.138 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.866 -12.920 2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.017 -10.995 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.274 -11.204 2.932 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.064 -8.893 4.113 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.193 -8.414 4.901 1.00 0.00 C ATOM 1317 C ALA A 89 -7.154 -6.897 5.052 1.00 0.00 C ATOM 1318 O ALA A 89 -8.019 -6.306 5.698 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.204 -9.083 6.267 1.00 0.00 C ATOM 0 H ALA A 89 -5.162 -8.826 4.585 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.110 -8.676 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.052 -8.716 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.289 -10.163 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.278 -8.850 6.794 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.145 -6.274 4.453 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.993 -4.825 4.521 1.00 0.00 C ATOM 1327 C ASP A 90 -6.395 -4.174 3.201 1.00 0.00 C ATOM 1328 O ASP A 90 -6.627 -2.967 3.138 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.549 -4.458 4.866 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.308 -4.402 6.362 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.186 -3.888 7.085 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.240 -4.870 6.809 1.00 0.00 O ATOM 0 H ASP A 90 -5.420 -6.749 3.915 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.652 -4.452 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.875 -5.189 4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.308 -3.491 4.425 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.476 -4.982 2.149 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.850 -4.485 0.831 1.00 0.00 C ATOM 1339 C ALA A 91 -8.129 -3.657 0.900 1.00 0.00 C ATOM 1340 O ALA A 91 -8.786 -3.597 1.938 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.021 -5.643 -0.141 1.00 0.00 C ATOM 0 H ALA A 91 -6.288 -5.984 2.184 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.048 -3.839 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.300 -5.257 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.083 -6.192 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.802 -6.311 0.222 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.476 -3.019 -0.214 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.675 -2.202 -0.258 1.00 0.00 C ATOM 1349 C GLY A 92 -9.472 -0.916 -1.035 1.00 0.00 C ATOM 1350 O GLY A 92 -9.317 -0.937 -2.256 1.00 0.00 O ATOM 0 H GLY A 92 -7.948 -3.053 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.484 -2.774 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.986 -1.963 0.759 1.00 0.00 H new ATOM 1354 N THR A 93 -9.475 0.208 -0.326 1.00 0.00 N ATOM 1355 CA THR A 93 -9.293 1.510 -0.956 1.00 0.00 C ATOM 1356 C THR A 93 -8.863 2.559 0.063 1.00 0.00 C ATOM 1357 O THR A 93 -9.639 2.943 0.938 1.00 0.00 O ATOM 1358 CB THR A 93 -10.584 1.983 -1.650 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.214 0.883 -2.316 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.286 3.086 -2.654 1.00 0.00 C ATOM 0 H THR A 93 -9.602 0.243 0.686 1.00 0.00 H new ATOM 0 HA THR A 93 -8.509 1.392 -1.704 1.00 0.00 H new ATOM 0 HB THR A 93 -11.255 2.379 -0.888 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.529 0.262 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.213 3.404 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.834 3.934 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.597 2.712 -3.412 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.623 3.020 -0.057 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.090 4.024 0.855 1.00 0.00 C ATOM 1370 C TYR A 94 -7.316 5.431 0.310 1.00 0.00 C ATOM 1371 O TYR A 94 -6.788 5.794 -0.741 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.596 3.790 1.088 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.280 2.434 1.678 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.493 1.271 0.947 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.771 2.315 2.965 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.207 0.030 1.482 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.480 1.078 3.507 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.700 -0.061 2.762 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.414 -1.296 3.299 1.00 0.00 O ATOM 0 H TYR A 94 -6.968 2.714 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.618 3.932 1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.068 3.897 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.215 4.564 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.889 1.339 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.600 3.205 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.379 -0.864 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.083 1.004 4.508 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.209 -1.866 3.249 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.105 6.218 1.032 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.405 7.585 0.621 1.00 0.00 C ATOM 1391 C TYR A 95 -7.603 8.589 1.444 1.00 0.00 C ATOM 1392 O TYR A 95 -7.859 8.780 2.633 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.901 7.867 0.768 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.781 6.822 0.122 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.069 5.629 0.773 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.325 7.027 -1.140 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.872 4.670 0.186 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.131 6.075 -1.734 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.401 4.898 -1.068 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.202 3.946 -1.655 1.00 0.00 O ATOM 0 H TYR A 95 -8.549 5.933 1.905 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.123 7.693 -0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.147 7.932 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.124 8.839 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.658 5.448 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.114 7.947 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.084 3.747 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.547 6.252 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.494 4.262 -2.536 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.631 9.228 0.801 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.790 10.213 1.470 1.00 0.00 C ATOM 1412 C CYS A 96 -6.614 11.419 1.914 1.00 0.00 C ATOM 1413 O CYS A 96 -6.996 12.258 1.098 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.662 10.666 0.542 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.155 11.205 1.412 1.00 0.00 S ATOM 0 H CYS A 96 -6.406 9.081 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.357 9.745 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.407 9.846 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.024 11.486 -0.078 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.883 11.500 3.213 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.659 12.603 3.767 1.00 0.00 C ATOM 1422 C VAL A 97 -6.750 13.733 4.236 1.00 0.00 C ATOM 1423 O VAL A 97 -5.897 13.540 5.103 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.533 12.138 4.947 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.251 13.321 5.578 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.528 11.082 4.489 1.00 0.00 C ATOM 0 H VAL A 97 -6.575 10.814 3.902 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.305 12.968 2.968 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.886 11.691 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.864 12.973 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.517 14.039 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.888 13.799 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.137 10.765 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.172 11.500 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.989 10.224 4.088 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.938 14.915 3.658 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.136 16.079 4.018 1.00 0.00 C ATOM 1438 C LYS A 98 -6.811 16.883 5.124 1.00 0.00 C ATOM 1439 O LYS A 98 -7.622 17.770 4.855 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.911 16.967 2.792 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.334 18.331 3.127 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.946 18.216 3.735 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.431 19.566 4.209 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.943 19.610 4.249 1.00 0.00 N ATOM 0 H LYS A 98 -7.639 15.092 2.938 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.172 15.726 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.238 16.457 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.859 17.101 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.287 18.939 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.996 18.846 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.972 17.520 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.258 17.801 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.800 20.348 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.827 19.777 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.609 20.478 3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.622 19.603 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.558 18.781 3.754 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.471 16.569 6.370 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.043 17.263 7.517 1.00 0.00 C ATOM 1460 C PHE A 99 -6.540 18.702 7.589 1.00 0.00 C ATOM 1461 O PHE A 99 -5.383 18.982 7.277 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.698 16.525 8.812 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.726 15.507 9.214 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.682 14.219 8.704 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.737 15.837 10.102 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.627 13.280 9.072 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.684 14.902 10.474 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.630 13.622 9.958 1.00 0.00 C ATOM 0 H PHE A 99 -5.802 15.838 6.611 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.126 17.281 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.735 16.029 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.585 17.252 9.616 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.900 13.946 8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.785 16.837 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.581 12.280 8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.466 15.172 11.168 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.370 12.890 10.247 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.418 19.610 8.002 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.065 21.020 8.114 1.00 0.00 C ATOM 1480 C ARG A 100 -6.986 21.446 9.577 1.00 0.00 C ATOM 1481 O ARG A 100 -7.870 21.133 10.375 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.087 21.884 7.373 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.392 22.067 8.130 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.348 22.980 7.379 1.00 0.00 C ATOM 1485 NE ARG A 100 -10.173 24.382 7.752 1.00 0.00 N ATOM 1486 CZ ARG A 100 -11.048 25.336 7.455 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.154 25.041 6.786 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -10.817 26.588 7.829 1.00 0.00 N ATOM 0 H ARG A 100 -8.380 19.394 8.265 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.084 21.161 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.649 22.863 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.299 21.431 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.862 21.096 8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.187 22.485 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.189 22.868 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.375 22.676 7.583 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.333 24.642 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.335 24.079 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.824 25.776 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.967 26.818 8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.489 27.321 7.601 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.923 22.164 9.922 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.728 22.635 11.288 1.00 0.00 C ATOM 1504 C LYS A 101 -6.991 23.307 11.817 1.00 0.00 C ATOM 1505 O LYS A 101 -7.363 24.391 11.370 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.553 23.613 11.349 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.835 23.619 12.688 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.814 24.742 12.768 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.458 24.301 12.237 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.778 23.359 13.168 1.00 0.00 N ATOM 0 H LYS A 101 -5.183 22.433 9.274 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.507 21.772 11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.839 23.360 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.917 24.618 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.563 23.730 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.337 22.661 12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.169 25.599 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.712 25.069 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.586 23.823 11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.827 25.176 12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.233 23.306 12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.887 23.697 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.204 22.415 13.079 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.646 22.656 12.774 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.859 23.206 13.349 1.00 0.00 C ATOM 1526 C GLY A 102 -8.982 22.916 14.832 1.00 0.00 C ATOM 1527 O GLY A 102 -8.108 22.280 15.421 1.00 0.00 O ATOM 0 H GLY A 102 -7.358 21.757 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.876 24.284 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.723 22.794 12.829 1.00 0.00 H new ATOM 1531 N SER A 103 -10.068 23.385 15.437 1.00 0.00 N ATOM 1532 CA SER A 103 -10.299 23.176 16.862 1.00 0.00 C ATOM 1533 C SER A 103 -11.695 22.611 17.109 1.00 0.00 C ATOM 1534 O SER A 103 -12.635 22.857 16.353 1.00 0.00 O ATOM 1535 CB SER A 103 -10.127 24.491 17.625 1.00 0.00 C ATOM 1536 OG SER A 103 -10.928 25.516 17.064 1.00 0.00 O ATOM 0 H SER A 103 -10.802 23.912 14.963 1.00 0.00 H new ATOM 0 HA SER A 103 -9.565 22.455 17.223 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.397 24.346 18.671 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.080 24.792 17.605 1.00 0.00 H new ATOM 0 HG SER A 103 -10.801 26.345 17.571 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.834 21.834 18.193 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.721 21.533 19.100 1.00 0.00 C ATOM 1544 C PRO A 104 -9.681 20.621 18.458 1.00 0.00 C ATOM 1545 O PRO A 104 -8.677 20.276 19.081 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.402 20.826 20.274 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.642 20.237 19.694 1.00 0.00 C ATOM 1548 CD PRO A 104 -13.087 21.188 18.617 1.00 0.00 C ATOM 0 HA PRO A 104 -10.173 22.431 19.386 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.759 20.055 20.699 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.634 21.526 21.077 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.448 19.246 19.284 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.413 20.122 20.456 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.568 20.663 17.791 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.806 21.915 18.995 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.928 20.235 17.212 1.00 0.00 N ATOM 1557 CA ASP A 105 -9.012 19.364 16.485 1.00 0.00 C ATOM 1558 C ASP A 105 -9.147 19.567 14.979 1.00 0.00 C ATOM 1559 O ASP A 105 -10.067 20.239 14.514 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.277 17.900 16.840 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.036 17.038 16.708 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.041 17.516 16.123 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.060 15.887 17.190 1.00 0.00 O ATOM 0 H ASP A 105 -10.755 20.512 16.684 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.995 19.623 16.778 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.651 17.839 17.862 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.059 17.507 16.190 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.223 18.984 14.224 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.239 19.101 12.770 1.00 0.00 C ATOM 1570 C ASP A 106 -9.592 18.680 12.206 1.00 0.00 C ATOM 1571 O ASP A 106 -10.395 18.051 12.894 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.128 18.247 12.156 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.860 18.262 12.987 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.238 19.339 13.100 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.489 17.197 13.524 1.00 0.00 O ATOM 0 H ASP A 106 -7.454 18.426 14.594 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.068 20.146 12.512 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.479 17.220 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.906 18.611 11.153 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.838 19.033 10.948 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.094 18.693 10.290 1.00 0.00 C ATOM 1582 C VAL A 107 -10.854 18.197 8.869 1.00 0.00 C ATOM 1583 O VAL A 107 -10.025 18.745 8.143 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.051 19.899 10.247 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.260 19.591 9.378 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.479 20.290 11.653 1.00 0.00 C ATOM 0 H VAL A 107 -9.184 19.554 10.364 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.552 17.897 10.877 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.523 20.744 9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.925 20.455 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.931 19.365 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.792 18.732 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.155 21.144 11.603 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.989 19.450 12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.600 20.557 12.240 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.585 17.158 8.478 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.450 16.589 7.143 1.00 0.00 C ATOM 1598 C GLU A 108 -11.830 17.611 6.075 1.00 0.00 C ATOM 1599 O GLU A 108 -13.011 17.852 5.823 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.325 15.341 7.005 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.487 14.867 5.571 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.416 13.675 5.452 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.642 13.861 5.596 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -12.917 12.555 5.214 1.00 0.00 O ATOM 0 H GLU A 108 -12.276 16.694 9.067 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.406 16.310 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.891 14.536 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.310 15.550 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.873 15.685 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.510 14.603 5.167 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.821 18.209 5.451 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.048 19.206 4.411 1.00 0.00 C ATOM 1613 C PHE A 109 -11.250 18.540 3.053 1.00 0.00 C ATOM 1614 O PHE A 109 -12.309 18.666 2.438 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.870 20.180 4.343 1.00 0.00 C ATOM 1616 CG PHE A 109 -10.016 21.223 3.272 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.796 22.348 3.484 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.372 21.079 2.054 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.933 23.309 2.500 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.505 22.037 1.066 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.285 23.154 1.290 1.00 0.00 C ATOM 0 H PHE A 109 -9.838 18.021 5.647 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.953 19.758 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.762 20.675 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.953 19.617 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.303 22.476 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.759 20.208 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.546 24.180 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.999 21.912 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.388 23.905 0.521 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.227 17.830 2.591 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.290 17.142 1.307 1.00 0.00 C ATOM 1633 C LYS A 110 -10.348 15.630 1.501 1.00 0.00 C ATOM 1634 O LYS A 110 -10.391 15.141 2.630 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.079 17.510 0.447 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.404 17.662 -1.029 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.743 19.100 -1.380 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.012 19.561 -0.681 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.583 20.782 -1.314 1.00 0.00 N ATOM 0 H LYS A 110 -9.343 17.716 3.087 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.200 17.460 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.653 18.444 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.314 16.743 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.554 17.332 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.244 17.016 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.914 19.749 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.867 19.193 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.751 18.760 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.796 19.763 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.619 20.767 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.207 21.627 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.322 20.806 -2.320 1.00 0.00 H new ATOM 1653 N SER A 111 -10.348 14.895 0.394 1.00 0.00 N ATOM 1654 CA SER A 111 -10.402 13.438 0.443 1.00 0.00 C ATOM 1655 C SER A 111 -9.897 12.831 -0.862 1.00 0.00 C ATOM 1656 O SER A 111 -10.444 13.089 -1.933 1.00 0.00 O ATOM 1657 CB SER A 111 -11.833 12.970 0.717 1.00 0.00 C ATOM 1658 OG SER A 111 -11.918 11.555 0.700 1.00 0.00 O ATOM 0 H SER A 111 -10.311 15.284 -0.548 1.00 0.00 H new ATOM 0 HA SER A 111 -9.755 13.101 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.163 13.346 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.505 13.387 -0.033 1.00 0.00 H new ATOM 0 HG SER A 111 -12.842 11.281 0.879 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.846 12.022 -0.763 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.283 11.390 -1.942 1.00 0.00 C ATOM 1666 C GLY A 112 -9.287 10.518 -2.668 1.00 0.00 C ATOM 1667 O GLY A 112 -10.133 9.880 -2.041 1.00 0.00 O ATOM 0 H GLY A 112 -8.375 11.793 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.916 12.159 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.424 10.785 -1.651 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.196 10.490 -3.993 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.104 9.689 -4.805 1.00 0.00 C ATOM 1673 C ALA A 113 -10.306 8.305 -4.198 1.00 0.00 C ATOM 1674 O ALA A 113 -11.429 7.809 -4.119 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.576 9.572 -6.227 1.00 0.00 C ATOM 0 H ALA A 113 -8.502 11.013 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.071 10.192 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.264 8.971 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.489 10.566 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.596 9.095 -6.213 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.210 7.685 -3.771 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.289 6.363 -3.178 1.00 0.00 C ATOM 1683 C GLY A 114 -8.382 5.363 -3.867 1.00 0.00 C ATOM 1684 O GLY A 114 -8.763 4.754 -4.868 1.00 0.00 O ATOM 0 H GLY A 114 -8.269 8.075 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.021 6.425 -2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.318 6.008 -3.225 1.00 0.00 H new ATOM 1688 N THR A 115 -7.177 5.191 -3.332 1.00 0.00 N ATOM 1689 CA THR A 115 -6.213 4.261 -3.904 1.00 0.00 C ATOM 1690 C THR A 115 -6.584 2.817 -3.582 1.00 0.00 C ATOM 1691 O THR A 115 -6.426 2.365 -2.449 1.00 0.00 O ATOM 1692 CB THR A 115 -4.789 4.540 -3.388 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.489 5.935 -3.507 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.763 3.728 -4.165 1.00 0.00 C ATOM 0 H THR A 115 -6.846 5.684 -2.503 1.00 0.00 H new ATOM 0 HA THR A 115 -6.235 4.407 -4.984 1.00 0.00 H new ATOM 0 HB THR A 115 -4.743 4.247 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.583 6.104 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.765 3.942 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.976 2.665 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.812 3.995 -5.221 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.077 2.100 -4.587 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.470 0.707 -4.408 1.00 0.00 C ATOM 1704 C GLU A 116 -6.246 -0.203 -4.366 1.00 0.00 C ATOM 1705 O GLU A 116 -5.472 -0.266 -5.321 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.405 0.269 -5.538 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.759 -1.208 -5.497 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.624 -1.633 -6.668 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -10.577 -0.896 -6.999 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.349 -2.701 -7.253 1.00 0.00 O ATOM 0 H GLU A 116 -7.214 2.460 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.996 0.624 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.322 0.855 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.935 0.495 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.842 -1.798 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.281 -1.427 -4.566 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.077 -0.905 -3.251 1.00 0.00 N ATOM 1718 CA LEU A 117 -4.947 -1.812 -3.081 1.00 0.00 C ATOM 1719 C LEU A 117 -5.332 -3.239 -3.460 1.00 0.00 C ATOM 1720 O LEU A 117 -6.340 -3.765 -2.990 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.448 -1.773 -1.636 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.262 -2.680 -1.310 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -1.978 -2.110 -1.893 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.130 -2.867 0.194 1.00 0.00 C ATOM 0 H LEU A 117 -6.708 -0.864 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.147 -1.483 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.171 -0.746 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.276 -2.041 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.441 -3.655 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.144 -2.769 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.074 -2.030 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.794 -1.122 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.280 -3.516 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.975 -1.898 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.040 -3.321 0.585 1.00 0.00 H new ATOM 1736 N SER A 118 -4.521 -3.859 -4.311 1.00 0.00 N ATOM 1737 CA SER A 118 -4.777 -5.225 -4.753 1.00 0.00 C ATOM 1738 C SER A 118 -3.764 -6.191 -4.148 1.00 0.00 C ATOM 1739 O SER A 118 -2.733 -6.487 -4.752 1.00 0.00 O ATOM 1740 CB SER A 118 -4.728 -5.306 -6.280 1.00 0.00 C ATOM 1741 OG SER A 118 -6.013 -5.108 -6.844 1.00 0.00 O ATOM 0 H SER A 118 -3.681 -3.437 -4.708 1.00 0.00 H new ATOM 0 HA SER A 118 -5.772 -5.511 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.039 -4.554 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.341 -6.279 -6.583 1.00 0.00 H new ATOM 0 HG SER A 118 -5.954 -5.163 -7.821 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.066 -6.682 -2.950 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.184 -7.616 -2.261 1.00 0.00 C ATOM 1749 C VAL A 119 -3.204 -8.986 -2.930 1.00 0.00 C ATOM 1750 O VAL A 119 -4.245 -9.639 -2.998 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.578 -7.774 -0.781 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.616 -8.713 -0.069 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.620 -6.418 -0.094 1.00 0.00 C ATOM 0 H VAL A 119 -4.916 -6.448 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.178 -7.201 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.575 -8.211 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.911 -8.812 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.642 -9.692 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.605 -8.309 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.900 -6.548 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.637 -5.951 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.353 -5.782 -0.590 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.047 -9.415 -3.423 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.932 -10.707 -4.088 1.00 0.00 C ATOM 1765 C ARG A 120 -1.379 -11.762 -3.134 1.00 0.00 C ATOM 1766 O ARG A 120 -0.243 -11.662 -2.673 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.029 -10.594 -5.318 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.675 -9.860 -6.482 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.629 -10.763 -7.248 1.00 0.00 C ATOM 1770 NE ARG A 120 -3.024 -10.181 -8.528 1.00 0.00 N ATOM 1771 CZ ARG A 120 -3.832 -9.133 -8.641 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -4.328 -8.554 -7.556 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -4.145 -8.660 -9.841 1.00 0.00 N ATOM 0 H ARG A 120 -1.176 -8.887 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.929 -11.014 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.111 -10.077 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.745 -11.595 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.216 -8.990 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.901 -9.491 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.154 -11.729 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.517 -10.947 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.659 -10.603 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.089 -8.913 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.948 -7.749 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.765 -9.101 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.766 -7.855 -9.926 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.192 -12.772 -2.842 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.785 -13.846 -1.944 1.00 0.00 C ATOM 1789 C ALA A 121 -0.427 -14.413 -2.347 1.00 0.00 C ATOM 1790 O ALA A 121 -0.046 -14.367 -3.517 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.834 -14.947 -1.927 1.00 0.00 C ATOM 0 H ALA A 121 -3.137 -12.869 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.694 -13.431 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.516 -15.742 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.785 -14.539 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.954 -15.351 -2.932 1.00 0.00 H new ATOM 1797 N LYS A 122 0.299 -14.946 -1.371 1.00 0.00 N ATOM 1798 CA LYS A 122 1.614 -15.523 -1.623 1.00 0.00 C ATOM 1799 C LYS A 122 1.620 -16.315 -2.926 1.00 0.00 C ATOM 1800 O LYS A 122 0.647 -16.982 -3.280 1.00 0.00 O ATOM 1801 CB LYS A 122 2.028 -16.429 -0.461 1.00 0.00 C ATOM 1802 CG LYS A 122 2.747 -15.695 0.657 1.00 0.00 C ATOM 1803 CD LYS A 122 3.667 -16.623 1.433 1.00 0.00 C ATOM 1804 CE LYS A 122 4.735 -15.847 2.187 1.00 0.00 C ATOM 1805 NZ LYS A 122 4.151 -15.012 3.274 1.00 0.00 N ATOM 0 H LYS A 122 -0.001 -14.991 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 122 2.330 -14.706 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.140 -16.913 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.676 -17.219 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.327 -14.872 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.015 -15.257 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.080 -17.214 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.142 -17.324 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.458 -16.543 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.279 -15.208 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.911 -14.499 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.480 -14.330 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.653 -15.624 3.952 1.00 0.00 H new