USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 803 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 75 MET CE :methyl 180:sc= -3.54 (180deg=-3.29) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -2.58! C(o=-7.9!,f=-6.1!) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -2.67 K(o=-1.8,f=-20!) USER MOD Set 2.2: A 60 SER OG : rot -84:sc= 0.69 USER MOD Set 2.3: A 90 THR OG1 : rot 113:sc= -2.02! USER MOD Set 2.4: A 92 SER OG : rot -155:sc= 1.04! USER MOD Set 2.5: A 105 THR OG1 : rot 154:sc= 1.18 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -138:sc= -2.72! USER MOD Single : A 17 ASN : amide:sc= -4.16 K(o=-4.2,f=-17!) USER MOD Single : A 23 THR OG1 : rot -157:sc= 1.14 USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.149 F(o=-0.61,f=0.15) USER MOD Single : A 29 CYS SG : rot 72:sc= -3.58 USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.838 USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -0.216 (180deg=-0.861) USER MOD Single : A 44 ASN : amide:sc= -3.66! C(o=-3.7!,f=-6.9!) USER MOD Single : A 49 CYS SG : rot -53:sc= -2.29 USER MOD Single : A 50 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= -2.24! C(o=-2.2!,f=-6!) USER MOD Single : A 55 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.17) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.177 F(o=-1.1,f=-0.18) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0791 F(o=-1.2,f=-0.079) USER MOD Single : A 66 LYS NZ :NH3+ 136:sc= -0.0609 (180deg=-0.315) USER MOD Single : A 68 LYS NZ :NH3+ -108:sc= -1.05 (180deg=-1.24) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.194 F(o=-1.1,f=-0.19) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -3.9! USER MOD Single : A 81 LYS NZ :NH3+ -167:sc=-0.00348 (180deg=-0.142) USER MOD Single : A 82 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.8!) USER MOD Single : A 83 GLN :FLIP amide:sc= 0.343 F(o=-2.2!,f=0.34) USER MOD Single : A 88 MET CE :methyl 134:sc= -7.95! (180deg=-11.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0384 F(o=-1.8!,f=-0.038) USER MOD Single : A 94 THR OG1 : rot 3:sc= 0.374 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 CYS SG : rot 41:sc= 1.09 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -13.760 -7.373 6.226 1.00 0.00 N ATOM 91 CA GLN A 8 -13.326 -5.996 6.449 1.00 0.00 C ATOM 92 C GLN A 8 -11.806 -5.910 6.560 1.00 0.00 C ATOM 93 O GLN A 8 -11.148 -6.854 6.999 1.00 0.00 O ATOM 94 CB GLN A 8 -13.974 -5.404 7.698 1.00 0.00 C ATOM 95 CG GLN A 8 -15.489 -5.505 7.703 1.00 0.00 C ATOM 96 CD GLN A 8 -16.114 -4.827 8.907 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.310 -5.449 9.952 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.433 -3.546 8.766 1.00 0.00 N ATOM 0 HA GLN A 8 -13.647 -5.413 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.581 -5.914 8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.688 -4.356 7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.883 -5.055 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.780 -6.555 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.253 -3.070 7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.858 -3.038 9.542 1.00 0.00 H new ATOM 107 N PRO A 9 -11.230 -4.767 6.155 1.00 0.00 N ATOM 108 CA PRO A 9 -9.790 -4.540 6.183 1.00 0.00 C ATOM 109 C PRO A 9 -9.288 -3.879 7.463 1.00 0.00 C ATOM 110 O PRO A 9 -9.949 -3.894 8.501 1.00 0.00 O ATOM 111 CB PRO A 9 -9.616 -3.582 5.022 1.00 0.00 C ATOM 112 CG PRO A 9 -10.816 -2.710 5.117 1.00 0.00 C ATOM 113 CD PRO A 9 -11.936 -3.596 5.608 1.00 0.00 C ATOM 0 HA PRO A 9 -9.232 -5.474 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.693 -3.008 5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.575 -4.108 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.643 -1.882 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.059 -2.274 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.538 -3.098 6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.611 -3.876 4.799 1.00 0.00 H new ATOM 121 N THR A 10 -8.101 -3.290 7.343 1.00 0.00 N ATOM 122 CA THR A 10 -7.421 -2.595 8.430 1.00 0.00 C ATOM 123 C THR A 10 -6.023 -2.222 7.958 1.00 0.00 C ATOM 124 O THR A 10 -5.548 -1.105 8.162 1.00 0.00 O ATOM 125 CB THR A 10 -7.315 -3.466 9.700 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.446 -2.846 10.653 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.802 -4.855 9.366 1.00 0.00 C ATOM 0 H THR A 10 -7.575 -3.283 6.469 1.00 0.00 H new ATOM 0 HA THR A 10 -8.001 -1.709 8.689 1.00 0.00 H new ATOM 0 HB THR A 10 -8.313 -3.560 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.387 -3.406 11.455 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.737 -5.448 10.278 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.486 -5.337 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.814 -4.779 8.912 1.00 0.00 H new ATOM 135 N GLU A 11 -5.385 -3.194 7.321 1.00 0.00 N ATOM 136 CA GLU A 11 -4.053 -3.048 6.756 1.00 0.00 C ATOM 137 C GLU A 11 -3.762 -4.249 5.883 1.00 0.00 C ATOM 138 O GLU A 11 -4.057 -5.383 6.262 1.00 0.00 O ATOM 139 CB GLU A 11 -2.989 -2.925 7.841 1.00 0.00 C ATOM 140 CG GLU A 11 -2.974 -4.093 8.803 1.00 0.00 C ATOM 141 CD GLU A 11 -1.883 -3.978 9.849 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.088 -3.247 10.841 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.825 -4.619 9.679 1.00 0.00 O ATOM 0 H GLU A 11 -5.786 -4.121 7.181 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.024 -2.132 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.009 -2.839 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.156 -2.005 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.942 -4.161 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.838 -5.018 8.242 1.00 0.00 H new ATOM 150 N PHE A 12 -3.191 -4.011 4.720 1.00 0.00 N ATOM 151 CA PHE A 12 -2.880 -5.107 3.820 1.00 0.00 C ATOM 152 C PHE A 12 -1.403 -5.104 3.481 1.00 0.00 C ATOM 153 O PHE A 12 -0.841 -4.086 3.077 1.00 0.00 O ATOM 154 CB PHE A 12 -3.761 -5.075 2.561 1.00 0.00 C ATOM 155 CG PHE A 12 -3.387 -4.055 1.520 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.455 -4.357 0.541 1.00 0.00 C ATOM 157 CD2 PHE A 12 -3.993 -2.808 1.499 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.131 -3.436 -0.436 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.676 -1.884 0.523 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.743 -2.199 -0.446 1.00 0.00 C ATOM 0 H PHE A 12 -2.935 -3.085 4.378 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.106 -6.044 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.736 -6.062 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.791 -4.892 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.976 -5.325 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.722 -2.556 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.400 -3.684 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.157 -0.917 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.493 -1.478 -1.210 1.00 0.00 H new ATOM 170 N ILE A 13 -0.782 -6.255 3.667 1.00 0.00 N ATOM 171 CA ILE A 13 0.636 -6.403 3.416 1.00 0.00 C ATOM 172 C ILE A 13 0.933 -6.602 1.943 1.00 0.00 C ATOM 173 O ILE A 13 0.705 -7.676 1.396 1.00 0.00 O ATOM 174 CB ILE A 13 1.214 -7.595 4.189 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.829 -7.518 5.666 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.722 -7.629 4.025 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.676 -8.876 6.316 1.00 0.00 C ATOM 0 H ILE A 13 -1.243 -7.104 3.993 1.00 0.00 H new ATOM 0 HA ILE A 13 1.103 -5.478 3.754 1.00 0.00 H new ATOM 0 HB ILE A 13 0.796 -8.516 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.588 -6.949 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.108 -6.969 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.129 -8.477 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.971 -7.729 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.151 -6.705 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.402 -8.749 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.103 -9.439 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.619 -9.419 6.251 1.00 0.00 H new ATOM 189 N SER A 14 1.444 -5.565 1.304 1.00 0.00 N ATOM 190 CA SER A 14 1.799 -5.658 -0.097 1.00 0.00 C ATOM 191 C SER A 14 3.296 -5.483 -0.252 1.00 0.00 C ATOM 192 O SER A 14 3.873 -4.507 0.229 1.00 0.00 O ATOM 193 CB SER A 14 1.061 -4.599 -0.912 1.00 0.00 C ATOM 194 OG SER A 14 0.845 -5.040 -2.237 1.00 0.00 O ATOM 0 H SER A 14 1.621 -4.656 1.731 1.00 0.00 H new ATOM 0 HA SER A 14 1.507 -6.640 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.105 -4.372 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.639 -3.675 -0.922 1.00 0.00 H new ATOM 0 HG SER A 14 1.022 -4.304 -2.860 1.00 0.00 H new ATOM 200 N ARG A 15 3.918 -6.431 -0.927 1.00 0.00 N ATOM 201 CA ARG A 15 5.341 -6.375 -1.161 1.00 0.00 C ATOM 202 C ARG A 15 5.588 -5.731 -2.500 1.00 0.00 C ATOM 203 O ARG A 15 4.721 -5.759 -3.370 1.00 0.00 O ATOM 204 CB ARG A 15 5.966 -7.767 -1.109 1.00 0.00 C ATOM 205 CG ARG A 15 6.419 -8.174 0.281 1.00 0.00 C ATOM 206 CD ARG A 15 7.199 -9.477 0.252 1.00 0.00 C ATOM 207 NE ARG A 15 6.330 -10.631 0.043 1.00 0.00 N ATOM 208 CZ ARG A 15 6.290 -11.330 -1.087 1.00 0.00 C ATOM 209 NH1 ARG A 15 7.051 -10.981 -2.116 1.00 0.00 N ATOM 210 NH2 ARG A 15 5.485 -12.379 -1.189 1.00 0.00 N ATOM 0 H ARG A 15 3.455 -7.250 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 15 5.809 -5.782 -0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.243 -8.496 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.820 -7.799 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.040 -7.386 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.551 -8.283 0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.944 -9.436 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.740 -9.596 1.191 1.00 0.00 H new ATOM 0 HE ARG A 15 5.719 -10.917 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.670 -10.174 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.017 -11.520 -2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.897 -12.649 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.454 -12.916 -2.056 1.00 0.00 H new ATOM 224 N HIS A 16 6.756 -5.144 -2.670 1.00 0.00 N ATOM 225 CA HIS A 16 7.069 -4.477 -3.917 1.00 0.00 C ATOM 226 C HIS A 16 8.548 -4.149 -4.014 1.00 0.00 C ATOM 227 O HIS A 16 9.302 -4.324 -3.057 1.00 0.00 O ATOM 228 CB HIS A 16 6.265 -3.184 -4.003 1.00 0.00 C ATOM 229 CG HIS A 16 6.552 -2.260 -2.867 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.808 -1.752 -2.627 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.757 -1.774 -1.883 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.781 -0.998 -1.551 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.547 -0.992 -1.080 1.00 0.00 N ATOM 0 H HIS A 16 7.496 -5.115 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 16 6.813 -5.146 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.491 -2.681 -4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.201 -3.421 -4.015 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.634 -1.933 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.702 -1.966 -1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.623 -0.473 -1.125 1.00 0.00 H new ATOM 242 N ASN A 17 8.953 -3.671 -5.180 1.00 0.00 N ATOM 243 CA ASN A 17 10.334 -3.274 -5.398 1.00 0.00 C ATOM 244 C ASN A 17 10.504 -1.834 -4.937 1.00 0.00 C ATOM 245 O ASN A 17 9.529 -1.195 -4.549 1.00 0.00 O ATOM 246 CB ASN A 17 10.713 -3.404 -6.875 1.00 0.00 C ATOM 247 CG ASN A 17 9.748 -2.675 -7.789 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.006 -1.795 -7.354 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.766 -3.027 -9.068 1.00 0.00 N ATOM 0 H ASN A 17 8.345 -3.549 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 17 10.992 -3.929 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.718 -3.010 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.740 -4.459 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.148 -2.562 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.398 -3.762 -9.386 1.00 0.00 H new ATOM 256 N ILE A 18 11.721 -1.315 -4.973 1.00 0.00 N ATOM 257 CA ILE A 18 11.948 0.059 -4.545 1.00 0.00 C ATOM 258 C ILE A 18 10.991 1.016 -5.256 1.00 0.00 C ATOM 259 O ILE A 18 10.510 1.984 -4.666 1.00 0.00 O ATOM 260 CB ILE A 18 13.387 0.511 -4.815 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.600 1.925 -4.271 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.680 0.442 -6.305 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.409 2.035 -2.775 1.00 0.00 C ATOM 0 H ILE A 18 12.554 -1.812 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 18 11.767 0.084 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 18 14.081 -0.156 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.607 2.255 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.907 2.604 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.705 0.765 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.554 -0.583 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.992 1.095 -6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.576 3.066 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.393 1.737 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.120 1.382 -2.268 1.00 0.00 H new ATOM 275 N GLU A 19 10.719 0.727 -6.525 1.00 0.00 N ATOM 276 CA GLU A 19 9.812 1.547 -7.330 1.00 0.00 C ATOM 277 C GLU A 19 8.446 1.605 -6.679 1.00 0.00 C ATOM 278 O GLU A 19 7.745 2.614 -6.744 1.00 0.00 O ATOM 279 CB GLU A 19 9.638 0.949 -8.728 1.00 0.00 C ATOM 280 CG GLU A 19 10.679 1.375 -9.742 1.00 0.00 C ATOM 281 CD GLU A 19 10.812 2.882 -9.852 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.092 3.483 -10.676 1.00 0.00 O ATOM 283 OE2 GLU A 19 11.639 3.460 -9.115 1.00 0.00 O ATOM 0 H GLU A 19 11.114 -0.071 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 19 10.245 2.545 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.656 -0.138 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.653 1.224 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.644 0.949 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.417 0.966 -10.718 1.00 0.00 H new ATOM 290 N GLY A 20 8.087 0.503 -6.047 1.00 0.00 N ATOM 291 CA GLY A 20 6.799 0.396 -5.408 1.00 0.00 C ATOM 292 C GLY A 20 5.935 -0.644 -6.088 1.00 0.00 C ATOM 293 O GLY A 20 4.863 -0.993 -5.593 1.00 0.00 O ATOM 0 H GLY A 20 8.673 -0.328 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.932 0.133 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.296 1.363 -5.433 1.00 0.00 H new ATOM 297 N ILE A 21 6.408 -1.137 -7.233 1.00 0.00 N ATOM 298 CA ILE A 21 5.693 -2.151 -7.985 1.00 0.00 C ATOM 299 C ILE A 21 5.422 -3.363 -7.117 1.00 0.00 C ATOM 300 O ILE A 21 6.345 -4.049 -6.685 1.00 0.00 O ATOM 301 CB ILE A 21 6.487 -2.602 -9.204 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.070 -1.385 -9.938 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.585 -3.442 -10.093 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.057 -0.562 -10.702 1.00 0.00 C ATOM 0 H ILE A 21 7.289 -0.844 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 21 4.754 -1.705 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 21 7.334 -3.219 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.565 -0.742 -9.210 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.836 -1.730 -10.633 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.143 -3.771 -10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.235 -4.312 -9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.729 -2.846 -10.410 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.560 0.275 -11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.577 -1.185 -11.457 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.303 -0.182 -10.013 1.00 0.00 H new ATOM 316 N PHE A 22 4.152 -3.648 -6.918 1.00 0.00 N ATOM 317 CA PHE A 22 3.732 -4.742 -6.064 1.00 0.00 C ATOM 318 C PHE A 22 4.160 -6.112 -6.573 1.00 0.00 C ATOM 319 O PHE A 22 3.603 -6.633 -7.536 1.00 0.00 O ATOM 320 CB PHE A 22 2.223 -4.715 -5.928 1.00 0.00 C ATOM 321 CG PHE A 22 1.706 -3.604 -5.057 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.360 -3.234 -3.889 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.553 -2.934 -5.408 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.860 -2.212 -3.099 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.051 -1.922 -4.626 1.00 0.00 C ATOM 326 CZ PHE A 22 0.702 -1.558 -3.473 1.00 0.00 C ATOM 0 H PHE A 22 3.383 -3.130 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 22 4.223 -4.595 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.781 -4.621 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.888 -5.669 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.264 -3.746 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.035 -3.210 -6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.374 -1.927 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.856 -1.413 -4.918 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.309 -0.761 -2.859 1.00 0.00 H new ATOM 336 N THR A 23 5.146 -6.696 -5.912 1.00 0.00 N ATOM 337 CA THR A 23 5.600 -8.029 -6.254 1.00 0.00 C ATOM 338 C THR A 23 4.744 -9.033 -5.490 1.00 0.00 C ATOM 339 O THR A 23 4.880 -10.248 -5.637 1.00 0.00 O ATOM 340 CB THR A 23 7.083 -8.222 -5.911 1.00 0.00 C ATOM 341 OG1 THR A 23 7.279 -8.118 -4.496 1.00 0.00 O ATOM 342 CG2 THR A 23 7.920 -7.176 -6.631 1.00 0.00 C ATOM 0 H THR A 23 5.646 -6.265 -5.135 1.00 0.00 H new ATOM 0 HA THR A 23 5.497 -8.181 -7.329 1.00 0.00 H new ATOM 0 HB THR A 23 7.396 -9.214 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.212 -7.880 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.972 -7.318 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.783 -7.279 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.605 -6.180 -6.319 1.00 0.00 H new ATOM 350 N PHE A 24 3.853 -8.474 -4.669 1.00 0.00 N ATOM 351 CA PHE A 24 2.917 -9.233 -3.853 1.00 0.00 C ATOM 352 C PHE A 24 1.922 -8.277 -3.207 1.00 0.00 C ATOM 353 O PHE A 24 2.237 -7.117 -2.955 1.00 0.00 O ATOM 354 CB PHE A 24 3.634 -10.042 -2.767 1.00 0.00 C ATOM 355 CG PHE A 24 2.703 -10.561 -1.697 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.049 -11.772 -1.857 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.464 -9.824 -0.541 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.180 -12.241 -0.888 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.593 -10.288 0.426 1.00 0.00 C ATOM 360 CZ PHE A 24 0.952 -11.497 0.254 1.00 0.00 C ATOM 0 H PHE A 24 3.764 -7.464 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 24 2.397 -9.938 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.149 -10.884 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.398 -9.418 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.220 -12.357 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.965 -8.878 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.680 -13.188 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.414 -9.704 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.273 -11.862 1.011 1.00 0.00 H new ATOM 370 N VAL A 25 0.715 -8.763 -2.967 1.00 0.00 N ATOM 371 CA VAL A 25 -0.328 -7.973 -2.332 1.00 0.00 C ATOM 372 C VAL A 25 -1.221 -8.880 -1.507 1.00 0.00 C ATOM 373 O VAL A 25 -1.729 -9.888 -1.993 1.00 0.00 O ATOM 374 CB VAL A 25 -1.192 -7.190 -3.349 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.951 -6.075 -2.657 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.349 -6.628 -4.478 1.00 0.00 C ATOM 0 H VAL A 25 0.431 -9.713 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 25 0.169 -7.240 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.908 -7.890 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.553 -5.536 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.602 -6.498 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.244 -5.388 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.988 -6.084 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.401 -5.951 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.147 -7.444 -5.003 1.00 0.00 H new ATOM 386 N ASP A 26 -1.380 -8.526 -0.249 1.00 0.00 N ATOM 387 CA ASP A 26 -2.203 -9.294 0.666 1.00 0.00 C ATOM 388 C ASP A 26 -3.685 -9.117 0.314 1.00 0.00 C ATOM 389 O ASP A 26 -4.142 -8.005 0.060 1.00 0.00 O ATOM 390 CB ASP A 26 -1.878 -8.860 2.091 1.00 0.00 C ATOM 391 CG ASP A 26 -2.978 -9.171 3.083 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.433 -10.332 3.119 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.380 -8.255 3.829 1.00 0.00 O ATOM 0 H ASP A 26 -0.946 -7.703 0.168 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.990 -10.360 0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.960 -9.353 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.684 -7.787 2.100 1.00 0.00 H new ATOM 398 N HIS A 27 -4.419 -10.233 0.291 1.00 0.00 N ATOM 399 CA HIS A 27 -5.841 -10.248 -0.087 1.00 0.00 C ATOM 400 C HIS A 27 -6.699 -9.224 0.657 1.00 0.00 C ATOM 401 O HIS A 27 -7.840 -8.983 0.266 1.00 0.00 O ATOM 402 CB HIS A 27 -6.418 -11.652 0.102 1.00 0.00 C ATOM 403 CG HIS A 27 -6.680 -12.016 1.531 1.00 0.00 C ATOM 404 ND1 HIS A 27 -5.845 -12.100 2.593 1.00 0.00 N flip ATOM 405 CD2 HIS A 27 -7.930 -12.362 2.001 1.00 0.00 C flip ATOM 406 CE1 HIS A 27 -6.598 -12.490 3.674 1.00 0.00 C flip ATOM 407 NE2 HIS A 27 -7.852 -12.641 3.290 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.048 -11.152 0.533 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.875 -9.960 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.350 -11.729 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.727 -12.378 -0.326 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.843 -11.909 2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.832 -12.399 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.225 -12.647 4.675 1.00 0.00 H new ATOM 416 N ARG A 28 -6.180 -8.631 1.721 1.00 0.00 N ATOM 417 CA ARG A 28 -6.944 -7.630 2.461 1.00 0.00 C ATOM 418 C ARG A 28 -7.145 -6.389 1.599 1.00 0.00 C ATOM 419 O ARG A 28 -8.096 -5.631 1.781 1.00 0.00 O ATOM 420 CB ARG A 28 -6.233 -7.254 3.762 1.00 0.00 C ATOM 421 CG ARG A 28 -6.431 -8.266 4.877 1.00 0.00 C ATOM 422 CD ARG A 28 -7.253 -7.683 6.015 1.00 0.00 C ATOM 423 NE ARG A 28 -7.463 -8.652 7.090 1.00 0.00 N ATOM 424 CZ ARG A 28 -8.179 -8.401 8.182 1.00 0.00 C ATOM 425 NH1 ARG A 28 -8.756 -7.217 8.344 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.322 -9.335 9.112 1.00 0.00 N ATOM 0 H ARG A 28 -5.248 -8.819 2.090 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.916 -8.055 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.166 -7.146 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.595 -6.282 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.929 -9.152 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.461 -8.588 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.748 -6.803 6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.218 -7.351 5.632 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.036 -9.573 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.651 -6.496 7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.305 -7.028 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.883 -10.247 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.871 -9.141 9.949 1.00 0.00 H new ATOM 440 N CYS A 29 -6.227 -6.208 0.659 1.00 0.00 N ATOM 441 CA CYS A 29 -6.226 -5.076 -0.249 1.00 0.00 C ATOM 442 C CYS A 29 -7.566 -4.850 -0.950 1.00 0.00 C ATOM 443 O CYS A 29 -7.864 -3.732 -1.349 1.00 0.00 O ATOM 444 CB CYS A 29 -5.138 -5.283 -1.291 1.00 0.00 C ATOM 445 SG CYS A 29 -5.399 -6.724 -2.345 1.00 0.00 S ATOM 0 H CYS A 29 -5.453 -6.854 0.506 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.039 -4.186 0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.075 -4.393 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.178 -5.385 -0.784 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.375 -6.487 -3.171 1.00 0.00 H new ATOM 451 N VAL A 30 -8.369 -5.890 -1.136 1.00 0.00 N ATOM 452 CA VAL A 30 -9.653 -5.699 -1.804 1.00 0.00 C ATOM 453 C VAL A 30 -10.664 -5.065 -0.848 1.00 0.00 C ATOM 454 O VAL A 30 -11.540 -4.316 -1.264 1.00 0.00 O ATOM 455 CB VAL A 30 -10.210 -7.011 -2.405 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.206 -8.142 -2.274 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.526 -7.388 -1.761 1.00 0.00 C ATOM 0 H VAL A 30 -8.165 -6.846 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.482 -5.020 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.389 -6.839 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.624 -9.052 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.290 -7.878 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.982 -8.309 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.895 -8.314 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.380 -7.529 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.253 -6.593 -1.926 1.00 0.00 H new ATOM 467 N ALA A 31 -10.566 -5.394 0.431 1.00 0.00 N ATOM 468 CA ALA A 31 -11.455 -4.806 1.423 1.00 0.00 C ATOM 469 C ALA A 31 -10.938 -3.430 1.809 1.00 0.00 C ATOM 470 O ALA A 31 -11.698 -2.542 2.193 1.00 0.00 O ATOM 471 CB ALA A 31 -11.552 -5.693 2.649 1.00 0.00 C ATOM 0 H ALA A 31 -9.888 -6.058 0.804 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.453 -4.712 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.221 -5.235 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.942 -6.669 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.563 -5.813 3.090 1.00 0.00 H new ATOM 477 N THR A 32 -9.628 -3.276 1.672 1.00 0.00 N ATOM 478 CA THR A 32 -8.935 -2.041 2.017 1.00 0.00 C ATOM 479 C THR A 32 -9.031 -0.987 0.921 1.00 0.00 C ATOM 480 O THR A 32 -9.535 0.114 1.149 1.00 0.00 O ATOM 481 CB THR A 32 -7.449 -2.337 2.248 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.295 -3.463 3.119 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.742 -1.138 2.838 1.00 0.00 C ATOM 0 H THR A 32 -9.013 -4.008 1.317 1.00 0.00 H new ATOM 0 HA THR A 32 -9.416 -1.652 2.915 1.00 0.00 H new ATOM 0 HB THR A 32 -6.999 -2.565 1.281 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.672 -4.261 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.689 -1.376 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.827 -0.293 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.199 -0.880 3.793 1.00 0.00 H new ATOM 491 N VAL A 33 -8.546 -1.331 -0.265 1.00 0.00 N ATOM 492 CA VAL A 33 -8.552 -0.413 -1.390 1.00 0.00 C ATOM 493 C VAL A 33 -9.406 -0.929 -2.538 1.00 0.00 C ATOM 494 O VAL A 33 -9.345 -0.408 -3.646 1.00 0.00 O ATOM 495 CB VAL A 33 -7.121 -0.148 -1.883 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.319 0.521 -0.784 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.453 -1.439 -2.307 1.00 0.00 C ATOM 0 H VAL A 33 -8.142 -2.245 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.989 0.521 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.165 0.512 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.305 0.708 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.789 1.467 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.286 -0.130 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.441 -1.229 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.412 -2.123 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.024 -1.896 -3.115 1.00 0.00 H new ATOM 507 N GLY A 34 -10.182 -1.970 -2.270 1.00 0.00 N ATOM 508 CA GLY A 34 -11.062 -2.521 -3.299 1.00 0.00 C ATOM 509 C GLY A 34 -10.325 -3.341 -4.339 1.00 0.00 C ATOM 510 O GLY A 34 -10.869 -4.299 -4.890 1.00 0.00 O ATOM 0 H GLY A 34 -10.223 -2.445 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.819 -3.145 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.587 -1.704 -3.795 1.00 0.00 H new ATOM 514 N TYR A 35 -9.088 -2.959 -4.605 1.00 0.00 N ATOM 515 CA TYR A 35 -8.261 -3.634 -5.589 1.00 0.00 C ATOM 516 C TYR A 35 -7.790 -4.994 -5.100 1.00 0.00 C ATOM 517 O TYR A 35 -7.087 -5.086 -4.095 1.00 0.00 O ATOM 518 CB TYR A 35 -7.057 -2.768 -5.899 1.00 0.00 C ATOM 519 CG TYR A 35 -7.439 -1.453 -6.505 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.212 -1.403 -7.651 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.035 -0.265 -5.930 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.572 -0.207 -8.213 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.385 0.944 -6.486 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.156 0.971 -7.631 1.00 0.00 C ATOM 525 OH TYR A 35 -8.508 2.177 -8.192 1.00 0.00 O ATOM 0 H TYR A 35 -8.629 -2.173 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.863 -3.794 -6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.494 -2.592 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.396 -3.301 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.538 -2.324 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.436 -0.285 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.178 -0.187 -9.107 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.058 1.867 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.371 2.087 -8.647 1.00 0.00 H new ATOM 535 N GLN A 36 -8.182 -6.051 -5.807 1.00 0.00 N ATOM 536 CA GLN A 36 -7.752 -7.388 -5.446 1.00 0.00 C ATOM 537 C GLN A 36 -6.229 -7.434 -5.492 1.00 0.00 C ATOM 538 O GLN A 36 -5.614 -6.588 -6.139 1.00 0.00 O ATOM 539 CB GLN A 36 -8.334 -8.423 -6.413 1.00 0.00 C ATOM 540 CG GLN A 36 -9.791 -8.180 -6.765 1.00 0.00 C ATOM 541 CD GLN A 36 -10.332 -9.203 -7.745 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.898 -10.355 -7.763 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.286 -8.786 -8.570 1.00 0.00 N ATOM 0 H GLN A 36 -8.791 -6.003 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.107 -7.626 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.743 -8.423 -7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.237 -9.415 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.390 -8.202 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.897 -7.182 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.617 -7.822 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.688 -9.429 -9.252 1.00 0.00 H new ATOM 552 N PRO A 37 -5.587 -8.390 -4.805 1.00 0.00 N ATOM 553 CA PRO A 37 -4.140 -8.478 -4.811 1.00 0.00 C ATOM 554 C PRO A 37 -3.571 -8.406 -6.219 1.00 0.00 C ATOM 555 O PRO A 37 -2.533 -7.791 -6.441 1.00 0.00 O ATOM 556 CB PRO A 37 -3.839 -9.831 -4.190 1.00 0.00 C ATOM 557 CG PRO A 37 -5.074 -10.290 -3.511 1.00 0.00 C ATOM 558 CD PRO A 37 -6.210 -9.427 -3.974 1.00 0.00 C ATOM 0 HA PRO A 37 -3.689 -7.648 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.533 -10.545 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.016 -9.753 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.271 -11.336 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.961 -10.222 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.937 -10.005 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.742 -8.989 -3.130 1.00 0.00 H new ATOM 566 N GLN A 38 -4.258 -9.037 -7.167 1.00 0.00 N ATOM 567 CA GLN A 38 -3.817 -9.030 -8.555 1.00 0.00 C ATOM 568 C GLN A 38 -4.032 -7.654 -9.177 1.00 0.00 C ATOM 569 O GLN A 38 -3.283 -7.235 -10.059 1.00 0.00 O ATOM 570 CB GLN A 38 -4.550 -10.096 -9.357 1.00 0.00 C ATOM 571 CG GLN A 38 -6.043 -9.883 -9.383 1.00 0.00 C ATOM 572 CD GLN A 38 -6.726 -10.637 -10.507 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.888 -10.115 -11.611 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.131 -11.871 -10.233 1.00 0.00 N ATOM 0 H GLN A 38 -5.119 -9.557 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.751 -9.257 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.170 -10.101 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.335 -11.076 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.467 -10.199 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.251 -8.818 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.976 -12.264 -9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.597 -12.426 -10.951 1.00 0.00 H new ATOM 583 N GLU A 39 -5.064 -6.958 -8.706 1.00 0.00 N ATOM 584 CA GLU A 39 -5.375 -5.623 -9.194 1.00 0.00 C ATOM 585 C GLU A 39 -4.309 -4.633 -8.750 1.00 0.00 C ATOM 586 O GLU A 39 -4.285 -3.485 -9.193 1.00 0.00 O ATOM 587 CB GLU A 39 -6.733 -5.177 -8.685 1.00 0.00 C ATOM 588 CG GLU A 39 -7.698 -4.809 -9.799 1.00 0.00 C ATOM 589 CD GLU A 39 -7.020 -4.512 -11.127 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.578 -3.360 -11.322 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.931 -5.432 -11.968 1.00 0.00 O ATOM 0 H GLU A 39 -5.699 -7.300 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.397 -5.654 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.169 -5.975 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.603 -4.318 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.406 -5.626 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.275 -3.936 -9.493 1.00 0.00 H new ATOM 598 N LEU A 40 -3.430 -5.093 -7.866 1.00 0.00 N ATOM 599 CA LEU A 40 -2.350 -4.270 -7.346 1.00 0.00 C ATOM 600 C LEU A 40 -1.010 -4.802 -7.831 1.00 0.00 C ATOM 601 O LEU A 40 -0.097 -4.043 -8.144 1.00 0.00 O ATOM 602 CB LEU A 40 -2.385 -4.283 -5.820 1.00 0.00 C ATOM 603 CG LEU A 40 -3.117 -3.133 -5.120 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.609 -2.075 -6.098 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.270 -3.695 -4.312 1.00 0.00 C ATOM 0 H LEU A 40 -3.448 -6.042 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.477 -3.248 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.846 -5.218 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.356 -4.296 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.409 -2.635 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.120 -1.283 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.760 -1.654 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.300 -2.529 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.795 -2.881 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.959 -4.217 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.886 -4.392 -3.567 1.00 0.00 H new ATOM 617 N LEU A 41 -0.916 -6.121 -7.896 1.00 0.00 N ATOM 618 CA LEU A 41 0.297 -6.800 -8.323 1.00 0.00 C ATOM 619 C LEU A 41 0.779 -6.288 -9.674 1.00 0.00 C ATOM 620 O LEU A 41 0.025 -6.244 -10.646 1.00 0.00 O ATOM 621 CB LEU A 41 0.043 -8.308 -8.382 1.00 0.00 C ATOM 622 CG LEU A 41 0.261 -9.047 -7.061 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.705 -10.217 -6.920 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.702 -9.523 -6.956 1.00 0.00 C ATOM 0 H LEU A 41 -1.680 -6.752 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 41 1.082 -6.591 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.982 -8.477 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.697 -8.743 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 41 0.062 -8.352 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.527 -10.724 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.730 -9.848 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.550 -10.918 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.844 -10.047 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.923 -10.198 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.373 -8.665 -6.999 1.00 0.00 H new ATOM 636 N GLY A 42 2.050 -5.905 -9.718 1.00 0.00 N ATOM 637 CA GLY A 42 2.638 -5.396 -10.938 1.00 0.00 C ATOM 638 C GLY A 42 2.414 -3.910 -11.104 1.00 0.00 C ATOM 639 O GLY A 42 2.925 -3.297 -12.041 1.00 0.00 O ATOM 0 H GLY A 42 2.687 -5.939 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.708 -5.602 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.213 -5.923 -11.792 1.00 0.00 H new ATOM 643 N LYS A 43 1.645 -3.333 -10.190 1.00 0.00 N ATOM 644 CA LYS A 43 1.347 -1.911 -10.228 1.00 0.00 C ATOM 645 C LYS A 43 2.167 -1.155 -9.207 1.00 0.00 C ATOM 646 O LYS A 43 2.381 -1.624 -8.089 1.00 0.00 O ATOM 647 CB LYS A 43 -0.129 -1.661 -9.942 1.00 0.00 C ATOM 648 CG LYS A 43 -1.058 -2.512 -10.770 1.00 0.00 C ATOM 649 CD LYS A 43 -2.356 -1.790 -11.077 1.00 0.00 C ATOM 650 CE LYS A 43 -2.931 -2.215 -12.417 1.00 0.00 C ATOM 651 NZ LYS A 43 -2.004 -1.915 -13.544 1.00 0.00 N ATOM 0 H LYS A 43 1.216 -3.832 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 43 1.596 -1.557 -11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.322 -1.849 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.353 -0.610 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.565 -2.787 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.274 -3.439 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.081 -1.993 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.182 -0.714 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.143 -3.284 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.880 -1.704 -12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.555 -1.729 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.433 -1.078 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.376 -2.729 -13.703 1.00 0.00 H new ATOM 665 N ASN A 44 2.621 0.020 -9.597 1.00 0.00 N ATOM 666 CA ASN A 44 3.391 0.863 -8.705 1.00 0.00 C ATOM 667 C ASN A 44 2.483 1.374 -7.596 1.00 0.00 C ATOM 668 O ASN A 44 1.509 2.076 -7.851 1.00 0.00 O ATOM 669 CB ASN A 44 4.002 2.037 -9.474 1.00 0.00 C ATOM 670 CG ASN A 44 5.127 2.709 -8.722 1.00 0.00 C ATOM 671 OD1 ASN A 44 4.898 3.537 -7.845 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.352 2.369 -9.086 1.00 0.00 N ATOM 0 H ASN A 44 2.470 0.412 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 44 4.204 0.282 -8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.375 1.681 -10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.224 2.770 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.157 2.800 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.492 1.675 -9.821 1.00 0.00 H new ATOM 679 N ILE A 45 2.796 0.987 -6.371 1.00 0.00 N ATOM 680 CA ILE A 45 2.024 1.393 -5.213 1.00 0.00 C ATOM 681 C ILE A 45 1.754 2.895 -5.217 1.00 0.00 C ATOM 682 O ILE A 45 0.628 3.334 -4.983 1.00 0.00 O ATOM 683 CB ILE A 45 2.774 1.014 -3.929 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.956 1.369 -2.695 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.110 1.713 -3.903 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.610 0.953 -1.394 1.00 0.00 C ATOM 0 H ILE A 45 3.590 0.385 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 45 1.066 0.874 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 45 2.934 -0.064 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.787 2.446 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.978 0.894 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.643 1.444 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.697 1.409 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.957 2.792 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.971 1.238 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.755 -0.127 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.576 1.449 -1.298 1.00 0.00 H new ATOM 698 N VAL A 46 2.794 3.678 -5.488 1.00 0.00 N ATOM 699 CA VAL A 46 2.668 5.129 -5.513 1.00 0.00 C ATOM 700 C VAL A 46 1.758 5.599 -6.649 1.00 0.00 C ATOM 701 O VAL A 46 1.154 6.666 -6.553 1.00 0.00 O ATOM 702 CB VAL A 46 4.033 5.854 -5.571 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.163 4.906 -5.221 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.265 6.525 -6.918 1.00 0.00 C ATOM 0 H VAL A 46 3.731 3.332 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 46 2.204 5.402 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 46 4.015 6.647 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.113 5.439 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.014 4.519 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.176 4.078 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.235 7.022 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.245 5.773 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.481 7.261 -7.098 1.00 0.00 H new ATOM 714 N GLU A 47 1.687 4.832 -7.741 1.00 0.00 N ATOM 715 CA GLU A 47 0.818 5.208 -8.854 1.00 0.00 C ATOM 716 C GLU A 47 -0.592 5.468 -8.338 1.00 0.00 C ATOM 717 O GLU A 47 -1.305 6.331 -8.850 1.00 0.00 O ATOM 718 CB GLU A 47 0.794 4.127 -9.936 1.00 0.00 C ATOM 719 CG GLU A 47 1.812 4.353 -11.042 1.00 0.00 C ATOM 720 CD GLU A 47 1.683 3.344 -12.168 1.00 0.00 C ATOM 721 OE1 GLU A 47 0.843 3.562 -13.066 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.421 2.337 -12.150 1.00 0.00 O ATOM 0 H GLU A 47 2.209 3.966 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 47 1.215 6.118 -9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.981 3.158 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.203 4.085 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.689 5.359 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.817 4.298 -10.623 1.00 0.00 H new ATOM 729 N PHE A 48 -0.981 4.710 -7.319 1.00 0.00 N ATOM 730 CA PHE A 48 -2.286 4.878 -6.696 1.00 0.00 C ATOM 731 C PHE A 48 -2.200 6.015 -5.699 1.00 0.00 C ATOM 732 O PHE A 48 -3.146 6.778 -5.511 1.00 0.00 O ATOM 733 CB PHE A 48 -2.718 3.606 -5.972 1.00 0.00 C ATOM 734 CG PHE A 48 -2.871 2.422 -6.873 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.772 1.658 -7.223 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.117 2.072 -7.364 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.918 0.558 -8.053 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.265 0.978 -8.190 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.164 0.223 -8.534 1.00 0.00 C ATOM 0 H PHE A 48 -0.409 3.972 -6.907 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.022 5.096 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.985 3.371 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.666 3.791 -5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.794 1.921 -6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.982 2.662 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.057 -0.035 -8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.242 0.713 -8.567 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.279 -0.633 -9.182 1.00 0.00 H new ATOM 749 N CYS A 49 -1.040 6.105 -5.065 1.00 0.00 N ATOM 750 CA CYS A 49 -0.772 7.146 -4.078 1.00 0.00 C ATOM 751 C CYS A 49 -0.958 8.530 -4.681 1.00 0.00 C ATOM 752 O CYS A 49 -0.667 8.747 -5.858 1.00 0.00 O ATOM 753 CB CYS A 49 0.659 7.021 -3.555 1.00 0.00 C ATOM 754 SG CYS A 49 1.206 8.421 -2.548 1.00 0.00 S ATOM 0 H CYS A 49 -0.261 5.464 -5.217 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.479 7.017 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.739 6.109 -2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.335 6.911 -4.403 1.00 0.00 H new ATOM 0 HG CYS A 49 1.016 9.527 -3.203 1.00 0.00 H new ATOM 760 N HIS A 50 -1.449 9.467 -3.875 1.00 0.00 N ATOM 761 CA HIS A 50 -1.635 10.832 -4.337 1.00 0.00 C ATOM 762 C HIS A 50 -0.285 11.388 -4.782 1.00 0.00 C ATOM 763 O HIS A 50 0.711 11.194 -4.089 1.00 0.00 O ATOM 764 CB HIS A 50 -2.235 11.698 -3.224 1.00 0.00 C ATOM 765 CG HIS A 50 -2.670 13.058 -3.677 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.791 14.013 -4.142 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.902 13.622 -3.734 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.461 15.105 -4.464 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.742 14.893 -4.228 1.00 0.00 N ATOM 0 H HIS A 50 -1.723 9.304 -2.906 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.329 10.843 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.092 11.178 -2.795 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.499 11.810 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.834 13.159 -3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.033 16.017 -4.854 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.492 15.565 -4.387 1.00 0.00 H new ATOM 778 N PRO A 51 -0.222 12.068 -5.939 1.00 0.00 N ATOM 779 CA PRO A 51 1.032 12.614 -6.472 1.00 0.00 C ATOM 780 C PRO A 51 1.878 13.345 -5.431 1.00 0.00 C ATOM 781 O PRO A 51 3.033 12.984 -5.196 1.00 0.00 O ATOM 782 CB PRO A 51 0.550 13.573 -7.553 1.00 0.00 C ATOM 783 CG PRO A 51 -0.708 12.956 -8.041 1.00 0.00 C ATOM 784 CD PRO A 51 -1.362 12.377 -6.822 1.00 0.00 C ATOM 0 HA PRO A 51 1.693 11.825 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.376 14.572 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.283 13.674 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.350 13.696 -8.518 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.506 12.184 -8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.049 13.086 -6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.939 11.484 -7.061 1.00 0.00 H new ATOM 792 N GLU A 52 1.300 14.366 -4.809 1.00 0.00 N ATOM 793 CA GLU A 52 2.003 15.155 -3.804 1.00 0.00 C ATOM 794 C GLU A 52 2.519 14.287 -2.660 1.00 0.00 C ATOM 795 O GLU A 52 3.376 14.711 -1.885 1.00 0.00 O ATOM 796 CB GLU A 52 1.072 16.230 -3.255 1.00 0.00 C ATOM 797 CG GLU A 52 0.673 17.257 -4.295 1.00 0.00 C ATOM 798 CD GLU A 52 1.594 18.461 -4.308 1.00 0.00 C ATOM 799 OE1 GLU A 52 2.623 18.414 -5.014 1.00 0.00 O ATOM 800 OE2 GLU A 52 1.286 19.452 -3.612 1.00 0.00 O ATOM 0 H GLU A 52 0.342 14.668 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 52 2.865 15.617 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.174 15.757 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.561 16.736 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.676 16.791 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.348 17.587 -4.102 1.00 0.00 H new ATOM 807 N ASP A 53 1.991 13.074 -2.561 1.00 0.00 N ATOM 808 CA ASP A 53 2.384 12.153 -1.502 1.00 0.00 C ATOM 809 C ASP A 53 3.303 11.036 -1.997 1.00 0.00 C ATOM 810 O ASP A 53 3.966 10.384 -1.191 1.00 0.00 O ATOM 811 CB ASP A 53 1.143 11.532 -0.862 1.00 0.00 C ATOM 812 CG ASP A 53 0.321 12.544 -0.088 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.566 13.178 -0.695 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.565 12.701 1.127 1.00 0.00 O ATOM 0 H ASP A 53 1.289 12.704 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 53 2.941 12.738 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.524 11.083 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.447 10.728 -0.192 1.00 0.00 H new ATOM 819 N GLN A 54 3.350 10.807 -3.309 1.00 0.00 N ATOM 820 CA GLN A 54 4.189 9.749 -3.844 1.00 0.00 C ATOM 821 C GLN A 54 5.648 9.982 -3.490 1.00 0.00 C ATOM 822 O GLN A 54 6.380 9.041 -3.204 1.00 0.00 O ATOM 823 CB GLN A 54 4.037 9.636 -5.355 1.00 0.00 C ATOM 824 CG GLN A 54 2.605 9.662 -5.835 1.00 0.00 C ATOM 825 CD GLN A 54 2.500 9.596 -7.344 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.376 10.079 -8.061 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.424 8.998 -7.836 1.00 0.00 N ATOM 0 H GLN A 54 2.824 11.333 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 54 3.861 8.813 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.582 10.454 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.504 8.709 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.063 8.823 -5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.122 10.572 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.722 8.611 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.298 8.925 -8.846 1.00 0.00 H new ATOM 836 N GLN A 55 6.066 11.240 -3.509 1.00 0.00 N ATOM 837 CA GLN A 55 7.444 11.579 -3.183 1.00 0.00 C ATOM 838 C GLN A 55 7.790 11.104 -1.777 1.00 0.00 C ATOM 839 O GLN A 55 8.927 10.734 -1.493 1.00 0.00 O ATOM 840 CB GLN A 55 7.668 13.085 -3.299 1.00 0.00 C ATOM 841 CG GLN A 55 9.121 13.500 -3.124 1.00 0.00 C ATOM 842 CD GLN A 55 10.032 12.886 -4.167 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.236 13.451 -5.242 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.589 11.722 -3.853 1.00 0.00 N ATOM 0 H GLN A 55 5.476 12.038 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 55 8.098 11.075 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.318 13.422 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.061 13.593 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.194 14.586 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.462 13.206 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.392 11.289 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.214 11.261 -4.514 1.00 0.00 H new ATOM 853 N LEU A 56 6.788 11.112 -0.909 1.00 0.00 N ATOM 854 CA LEU A 56 6.945 10.688 0.466 1.00 0.00 C ATOM 855 C LEU A 56 6.920 9.173 0.553 1.00 0.00 C ATOM 856 O LEU A 56 7.666 8.568 1.322 1.00 0.00 O ATOM 857 CB LEU A 56 5.826 11.293 1.313 1.00 0.00 C ATOM 858 CG LEU A 56 5.530 10.579 2.629 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.014 11.400 3.812 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.039 10.297 2.736 1.00 0.00 C ATOM 0 H LEU A 56 5.843 11.414 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 56 7.906 11.035 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.082 12.329 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.913 11.310 0.717 1.00 0.00 H new ATOM 0 HG LEU A 56 6.068 9.631 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.792 10.870 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.090 11.554 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.508 12.366 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.832 9.787 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.488 11.237 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.728 9.665 1.904 1.00 0.00 H new ATOM 872 N LEU A 57 6.051 8.571 -0.245 1.00 0.00 N ATOM 873 CA LEU A 57 5.922 7.126 -0.271 1.00 0.00 C ATOM 874 C LEU A 57 7.217 6.500 -0.758 1.00 0.00 C ATOM 875 O LEU A 57 7.825 5.680 -0.071 1.00 0.00 O ATOM 876 CB LEU A 57 4.765 6.723 -1.184 1.00 0.00 C ATOM 877 CG LEU A 57 4.399 5.242 -1.144 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.110 4.812 0.283 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.205 4.963 -2.043 1.00 0.00 C ATOM 0 H LEU A 57 5.425 9.063 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 57 5.715 6.768 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.886 7.307 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.020 6.991 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 57 5.245 4.663 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.850 3.754 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.994 4.978 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.278 5.396 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.959 3.902 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.350 5.548 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.450 5.239 -3.069 1.00 0.00 H new ATOM 891 N ARG A 58 7.626 6.897 -1.953 1.00 0.00 N ATOM 892 CA ARG A 58 8.864 6.413 -2.541 1.00 0.00 C ATOM 893 C ARG A 58 10.024 6.692 -1.597 1.00 0.00 C ATOM 894 O ARG A 58 10.935 5.879 -1.463 1.00 0.00 O ATOM 895 CB ARG A 58 9.112 7.089 -3.890 1.00 0.00 C ATOM 896 CG ARG A 58 7.941 6.982 -4.851 1.00 0.00 C ATOM 897 CD ARG A 58 8.176 7.810 -6.105 1.00 0.00 C ATOM 898 NE ARG A 58 6.933 8.114 -6.808 1.00 0.00 N ATOM 899 CZ ARG A 58 6.882 8.502 -8.078 1.00 0.00 C ATOM 900 NH1 ARG A 58 7.999 8.633 -8.782 1.00 0.00 N ATOM 901 NH2 ARG A 58 5.713 8.757 -8.649 1.00 0.00 N ATOM 0 H ARG A 58 7.114 7.558 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 58 8.782 5.338 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.338 8.142 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.993 6.644 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.788 5.938 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.030 7.319 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.675 8.741 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.847 7.271 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 58 6.055 8.024 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.901 8.436 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.956 8.931 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.851 8.656 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.676 9.055 -9.624 1.00 0.00 H new ATOM 915 N ASP A 59 9.975 7.852 -0.939 1.00 0.00 N ATOM 916 CA ASP A 59 11.015 8.236 0.010 1.00 0.00 C ATOM 917 C ASP A 59 11.166 7.167 1.065 1.00 0.00 C ATOM 918 O ASP A 59 12.275 6.733 1.371 1.00 0.00 O ATOM 919 CB ASP A 59 10.679 9.572 0.665 1.00 0.00 C ATOM 920 CG ASP A 59 11.748 10.023 1.642 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.718 10.675 1.202 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.614 9.725 2.848 1.00 0.00 O ATOM 0 H ASP A 59 9.228 8.538 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 59 11.956 8.344 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.553 10.331 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.726 9.488 1.187 1.00 0.00 H new ATOM 927 N SER A 60 10.041 6.745 1.617 1.00 0.00 N ATOM 928 CA SER A 60 10.046 5.707 2.623 1.00 0.00 C ATOM 929 C SER A 60 10.819 4.501 2.106 1.00 0.00 C ATOM 930 O SER A 60 11.791 4.072 2.719 1.00 0.00 O ATOM 931 CB SER A 60 8.611 5.317 2.989 1.00 0.00 C ATOM 932 OG SER A 60 8.117 4.301 2.135 1.00 0.00 O ATOM 0 H SER A 60 9.116 7.107 1.383 1.00 0.00 H new ATOM 0 HA SER A 60 10.535 6.078 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.578 4.973 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.967 6.194 2.924 1.00 0.00 H new ATOM 0 HG SER A 60 7.759 4.706 1.317 1.00 0.00 H new ATOM 938 N PHE A 61 10.403 3.987 0.953 1.00 0.00 N ATOM 939 CA PHE A 61 11.054 2.835 0.346 1.00 0.00 C ATOM 940 C PHE A 61 12.544 3.071 0.180 1.00 0.00 C ATOM 941 O PHE A 61 13.344 2.148 0.323 1.00 0.00 O ATOM 942 CB PHE A 61 10.433 2.530 -1.017 1.00 0.00 C ATOM 943 CG PHE A 61 8.935 2.411 -0.976 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.301 1.857 0.126 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.162 2.854 -2.036 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.926 1.748 0.171 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.786 2.748 -1.998 1.00 0.00 C ATOM 948 CZ PHE A 61 6.167 2.194 -0.892 1.00 0.00 C ATOM 0 H PHE A 61 9.614 4.353 0.420 1.00 0.00 H new ATOM 0 HA PHE A 61 10.908 1.984 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.709 3.318 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.854 1.600 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.891 1.506 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.641 3.287 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.445 1.315 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.194 3.097 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.091 2.111 -0.860 1.00 0.00 H new ATOM 958 N GLN A 62 12.915 4.311 -0.116 1.00 0.00 N ATOM 959 CA GLN A 62 14.316 4.648 -0.304 1.00 0.00 C ATOM 960 C GLN A 62 15.057 4.547 1.015 1.00 0.00 C ATOM 961 O GLN A 62 16.237 4.221 1.053 1.00 0.00 O ATOM 962 CB GLN A 62 14.462 6.058 -0.876 1.00 0.00 C ATOM 963 CG GLN A 62 13.743 6.256 -2.200 1.00 0.00 C ATOM 964 CD GLN A 62 14.687 6.601 -3.337 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.911 6.088 -3.272 1.00 0.00 O flip ATOM 966 NE2 GLN A 62 14.317 7.318 -4.267 1.00 0.00 N flip ATOM 0 H GLN A 62 12.269 5.092 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 62 14.747 3.941 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.077 6.776 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.521 6.278 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.197 5.347 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.006 7.051 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.368 7.691 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.960 7.539 -5.027 1.00 0.00 H new ATOM 975 N GLN A 63 14.345 4.820 2.098 1.00 0.00 N ATOM 976 CA GLN A 63 14.926 4.780 3.424 1.00 0.00 C ATOM 977 C GLN A 63 15.018 3.353 3.968 1.00 0.00 C ATOM 978 O GLN A 63 16.024 2.977 4.567 1.00 0.00 O ATOM 979 CB GLN A 63 14.092 5.650 4.348 1.00 0.00 C ATOM 980 CG GLN A 63 14.079 7.118 3.940 1.00 0.00 C ATOM 981 CD GLN A 63 15.455 7.757 4.010 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.281 7.292 4.940 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.769 8.663 3.237 1.00 0.00 N flip ATOM 0 H GLN A 63 13.357 5.073 2.080 1.00 0.00 H new ATOM 0 HA GLN A 63 15.946 5.161 3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.069 5.275 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.479 5.565 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.693 7.205 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.395 7.665 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.103 8.990 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.695 9.086 3.297 1.00 0.00 H new ATOM 992 N VAL A 64 13.968 2.560 3.760 1.00 0.00 N ATOM 993 CA VAL A 64 13.951 1.176 4.244 1.00 0.00 C ATOM 994 C VAL A 64 15.021 0.349 3.550 1.00 0.00 C ATOM 995 O VAL A 64 15.633 -0.535 4.148 1.00 0.00 O ATOM 996 CB VAL A 64 12.571 0.476 4.040 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.476 1.476 3.728 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.631 -0.586 2.946 1.00 0.00 C ATOM 0 H VAL A 64 13.124 2.846 3.264 1.00 0.00 H new ATOM 0 HA VAL A 64 14.148 1.233 5.315 1.00 0.00 H new ATOM 0 HB VAL A 64 12.332 -0.015 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.531 0.950 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.383 2.183 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.725 2.015 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.651 -1.050 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.922 -0.122 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.363 -1.346 3.217 1.00 0.00 H new ATOM 1008 N VAL A 65 15.232 0.654 2.284 1.00 0.00 N ATOM 1009 CA VAL A 65 16.193 -0.057 1.474 1.00 0.00 C ATOM 1010 C VAL A 65 17.607 0.439 1.742 1.00 0.00 C ATOM 1011 O VAL A 65 18.575 -0.313 1.629 1.00 0.00 O ATOM 1012 CB VAL A 65 15.839 0.093 -0.011 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.125 1.506 -0.497 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.564 -0.939 -0.849 1.00 0.00 C ATOM 0 H VAL A 65 14.741 1.401 1.792 1.00 0.00 H new ATOM 0 HA VAL A 65 16.155 -1.113 1.740 1.00 0.00 H new ATOM 0 HB VAL A 65 14.770 -0.085 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.866 1.587 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.531 2.216 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.184 1.729 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.295 -0.810 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.640 -0.812 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.279 -1.939 -0.522 1.00 0.00 H new ATOM 1024 N LYS A 66 17.715 1.713 2.100 1.00 0.00 N ATOM 1025 CA LYS A 66 19.004 2.313 2.417 1.00 0.00 C ATOM 1026 C LYS A 66 19.511 1.778 3.744 1.00 0.00 C ATOM 1027 O LYS A 66 20.691 1.470 3.906 1.00 0.00 O ATOM 1028 CB LYS A 66 18.871 3.831 2.516 1.00 0.00 C ATOM 1029 CG LYS A 66 19.044 4.551 1.189 1.00 0.00 C ATOM 1030 CD LYS A 66 18.802 6.048 1.325 1.00 0.00 C ATOM 1031 CE LYS A 66 19.821 6.702 2.245 1.00 0.00 C ATOM 1032 NZ LYS A 66 21.216 6.504 1.762 1.00 0.00 N ATOM 0 H LYS A 66 16.923 2.351 2.178 1.00 0.00 H new ATOM 0 HA LYS A 66 19.706 2.060 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.890 4.074 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.613 4.206 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.051 4.378 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.352 4.136 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.848 6.515 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.798 6.220 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.611 7.769 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.722 6.288 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.741 7.398 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.683 5.776 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.199 6.199 0.768 1.00 0.00 H new ATOM 1046 N LEU A 67 18.588 1.677 4.689 1.00 0.00 N ATOM 1047 CA LEU A 67 18.893 1.202 6.026 1.00 0.00 C ATOM 1048 C LEU A 67 18.689 -0.304 6.119 1.00 0.00 C ATOM 1049 O LEU A 67 18.729 -0.890 7.201 1.00 0.00 O ATOM 1050 CB LEU A 67 18.004 1.945 7.012 1.00 0.00 C ATOM 1051 CG LEU A 67 18.013 3.467 6.832 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.063 4.133 7.815 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.424 4.010 6.994 1.00 0.00 C ATOM 0 H LEU A 67 17.608 1.922 4.548 1.00 0.00 H new ATOM 0 HA LEU A 67 19.938 1.397 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.981 1.583 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.325 1.707 8.026 1.00 0.00 H new ATOM 0 HG LEU A 67 17.669 3.696 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.086 5.213 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.050 3.766 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.371 3.898 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.415 5.092 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.795 3.768 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.075 3.560 6.245 1.00 0.00 H new ATOM 1065 N LYS A 68 18.486 -0.904 4.952 1.00 0.00 N ATOM 1066 CA LYS A 68 18.288 -2.343 4.806 1.00 0.00 C ATOM 1067 C LYS A 68 17.618 -2.986 6.018 1.00 0.00 C ATOM 1068 O LYS A 68 18.245 -3.748 6.756 1.00 0.00 O ATOM 1069 CB LYS A 68 19.627 -3.014 4.539 1.00 0.00 C ATOM 1070 CG LYS A 68 20.042 -3.005 3.080 1.00 0.00 C ATOM 1071 CD LYS A 68 19.297 -4.058 2.274 1.00 0.00 C ATOM 1072 CE LYS A 68 18.092 -3.469 1.559 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.380 -4.487 0.738 1.00 0.00 N ATOM 0 H LYS A 68 18.454 -0.398 4.067 1.00 0.00 H new ATOM 0 HA LYS A 68 17.611 -2.488 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.396 -2.514 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.580 -4.046 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.852 -2.020 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 68 21.115 -3.183 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.973 -4.502 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.971 -4.860 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.404 -3.049 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.415 -2.648 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.551 -4.301 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.731 -5.436 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.359 -4.436 0.931 1.00 0.00 H new ATOM 1087 N GLY A 69 16.347 -2.670 6.216 1.00 0.00 N ATOM 1088 CA GLY A 69 15.598 -3.245 7.318 1.00 0.00 C ATOM 1089 C GLY A 69 14.786 -2.222 8.082 1.00 0.00 C ATOM 1090 O GLY A 69 13.619 -2.463 8.396 1.00 0.00 O ATOM 0 H GLY A 69 15.818 -2.023 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.930 -4.016 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.290 -3.736 8.003 1.00 0.00 H new ATOM 1094 N GLN A 70 15.402 -1.086 8.390 1.00 0.00 N ATOM 1095 CA GLN A 70 14.721 -0.021 9.116 1.00 0.00 C ATOM 1096 C GLN A 70 13.361 0.253 8.486 1.00 0.00 C ATOM 1097 O GLN A 70 13.271 0.576 7.301 1.00 0.00 O ATOM 1098 CB GLN A 70 15.572 1.245 9.101 1.00 0.00 C ATOM 1099 CG GLN A 70 15.182 2.269 10.151 1.00 0.00 C ATOM 1100 CD GLN A 70 15.319 1.742 11.568 1.00 0.00 C ATOM 1101 OE1 GLN A 70 16.286 0.856 11.783 1.00 0.00 O flip ATOM 1102 NE2 GLN A 70 14.568 2.132 12.463 1.00 0.00 N flip ATOM 0 H GLN A 70 16.371 -0.879 8.148 1.00 0.00 H new ATOM 0 HA GLN A 70 14.572 -0.334 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.616 0.969 9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.500 1.706 8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.806 3.155 10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.151 2.581 9.982 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.838 2.814 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.676 1.773 13.412 1.00 0.00 H new ATOM 1111 N VAL A 71 12.307 0.123 9.281 1.00 0.00 N ATOM 1112 CA VAL A 71 10.956 0.333 8.783 1.00 0.00 C ATOM 1113 C VAL A 71 10.597 1.814 8.715 1.00 0.00 C ATOM 1114 O VAL A 71 10.981 2.610 9.571 1.00 0.00 O ATOM 1115 CB VAL A 71 9.913 -0.420 9.635 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.707 0.262 10.979 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.599 -0.545 8.874 1.00 0.00 C ATOM 0 H VAL A 71 12.362 -0.126 10.269 1.00 0.00 H new ATOM 0 HA VAL A 71 10.936 -0.070 7.771 1.00 0.00 H new ATOM 0 HB VAL A 71 10.291 -1.423 9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.967 -0.291 11.558 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.651 0.285 11.524 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.356 1.281 10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.873 -1.078 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.217 0.449 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.766 -1.095 7.948 1.00 0.00 H new ATOM 1127 N LEU A 72 9.856 2.156 7.671 1.00 0.00 N ATOM 1128 CA LEU A 72 9.420 3.513 7.414 1.00 0.00 C ATOM 1129 C LEU A 72 7.915 3.642 7.593 1.00 0.00 C ATOM 1130 O LEU A 72 7.167 2.695 7.346 1.00 0.00 O ATOM 1131 CB LEU A 72 9.788 3.888 5.978 1.00 0.00 C ATOM 1132 CG LEU A 72 11.204 4.414 5.757 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.276 5.884 6.098 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.220 3.623 6.567 1.00 0.00 C ATOM 0 H LEU A 72 9.538 1.486 6.971 1.00 0.00 H new ATOM 0 HA LEU A 72 9.912 4.180 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.648 3.009 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.084 4.645 5.631 1.00 0.00 H new ATOM 0 HG LEU A 72 11.451 4.287 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.291 6.246 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.587 6.439 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.002 6.029 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.218 4.022 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.982 3.704 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.189 2.576 6.267 1.00 0.00 H new ATOM 1146 N SER A 73 7.477 4.819 8.017 1.00 0.00 N ATOM 1147 CA SER A 73 6.058 5.077 8.206 1.00 0.00 C ATOM 1148 C SER A 73 5.670 6.367 7.515 1.00 0.00 C ATOM 1149 O SER A 73 6.113 7.451 7.897 1.00 0.00 O ATOM 1150 CB SER A 73 5.708 5.158 9.686 1.00 0.00 C ATOM 1151 OG SER A 73 4.333 4.892 9.902 1.00 0.00 O ATOM 0 H SER A 73 8.084 5.609 8.236 1.00 0.00 H new ATOM 0 HA SER A 73 5.501 4.249 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.312 4.443 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.954 6.149 10.067 1.00 0.00 H new ATOM 0 HG SER A 73 4.135 4.949 10.860 1.00 0.00 H new ATOM 1157 N VAL A 74 4.840 6.243 6.495 1.00 0.00 N ATOM 1158 CA VAL A 74 4.396 7.412 5.736 1.00 0.00 C ATOM 1159 C VAL A 74 2.908 7.346 5.429 1.00 0.00 C ATOM 1160 O VAL A 74 2.389 6.298 5.049 1.00 0.00 O ATOM 1161 CB VAL A 74 5.169 7.557 4.405 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.658 7.724 4.656 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.904 6.370 3.499 1.00 0.00 C ATOM 0 H VAL A 74 4.459 5.354 6.170 1.00 0.00 H new ATOM 0 HA VAL A 74 4.598 8.279 6.365 1.00 0.00 H new ATOM 0 HB VAL A 74 4.811 8.456 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.179 7.824 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.828 8.617 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.038 6.851 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.457 6.492 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.226 5.455 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.838 6.309 3.282 1.00 0.00 H new ATOM 1173 N MET A 75 2.219 8.468 5.597 1.00 0.00 N ATOM 1174 CA MET A 75 0.795 8.513 5.307 1.00 0.00 C ATOM 1175 C MET A 75 0.555 9.101 3.936 1.00 0.00 C ATOM 1176 O MET A 75 1.052 10.179 3.611 1.00 0.00 O ATOM 1177 CB MET A 75 0.020 9.325 6.335 1.00 0.00 C ATOM 1178 CG MET A 75 -0.062 8.669 7.695 1.00 0.00 C ATOM 1179 SD MET A 75 -1.375 9.358 8.713 1.00 0.00 S ATOM 1180 CE MET A 75 -2.805 8.851 7.764 1.00 0.00 C ATOM 0 H MET A 75 2.618 9.347 5.928 1.00 0.00 H new ATOM 0 HA MET A 75 0.436 7.485 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.490 10.303 6.441 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.990 9.496 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.227 7.599 7.569 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.892 8.786 8.209 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.712 9.199 8.258 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.749 9.281 6.764 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.826 7.764 7.691 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.210 8.387 3.137 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.522 8.847 1.792 1.00 0.00 C ATOM 1192 C PHE A 76 -1.963 8.530 1.416 1.00 0.00 C ATOM 1193 O PHE A 76 -2.625 7.723 2.063 1.00 0.00 O ATOM 1194 CB PHE A 76 0.424 8.201 0.786 1.00 0.00 C ATOM 1195 CG PHE A 76 0.088 6.768 0.494 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.467 5.756 1.360 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.617 6.434 -0.647 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.150 4.445 1.086 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.934 5.123 -0.924 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.548 4.126 -0.052 1.00 0.00 C ATOM 0 H PHE A 76 -0.627 7.491 3.389 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.395 9.929 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.399 8.770 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.444 8.258 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.016 5.998 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.923 7.212 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.452 3.664 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.483 4.876 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.795 3.096 -0.264 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.434 9.169 0.356 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.793 8.956 -0.129 1.00 0.00 C ATOM 1212 C ARG A 77 -3.808 7.916 -1.248 1.00 0.00 C ATOM 1213 O ARG A 77 -3.340 8.173 -2.356 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.389 10.278 -0.613 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.833 11.188 0.520 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.510 12.647 0.236 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.268 13.176 -0.895 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.772 14.406 -0.933 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.617 15.221 0.103 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.430 14.824 -2.004 1.00 0.00 N ATOM 0 H ARG A 77 -1.894 9.842 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.402 8.578 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.650 10.800 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.243 10.069 -1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.906 11.077 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.344 10.881 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.724 13.243 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.444 12.747 0.034 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.419 12.568 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.111 14.904 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.004 16.164 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.551 14.202 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.815 15.768 -2.030 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.346 6.739 -0.940 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.421 5.645 -1.905 1.00 0.00 C ATOM 1236 C PHE A 78 -5.728 5.685 -2.685 1.00 0.00 C ATOM 1237 O PHE A 78 -6.782 5.346 -2.145 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.326 4.291 -1.180 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.026 3.123 -2.091 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.986 2.630 -2.966 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.781 2.519 -2.072 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.701 1.558 -3.798 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.492 1.453 -2.900 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.453 0.973 -3.763 1.00 0.00 C ATOM 0 H PHE A 78 -4.738 6.517 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.588 5.762 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.549 4.353 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.266 4.102 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.964 3.086 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.022 2.888 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.456 1.182 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.514 0.996 -2.871 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.229 0.139 -4.412 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.674 6.097 -3.950 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.877 6.108 -4.765 1.00 0.00 C ATOM 1256 C ARG A 79 -7.316 4.670 -4.943 1.00 0.00 C ATOM 1257 O ARG A 79 -6.745 3.929 -5.744 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.635 6.770 -6.123 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.876 6.810 -7.005 1.00 0.00 C ATOM 1260 CD ARG A 79 -8.054 5.512 -7.767 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.875 5.685 -8.963 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.471 5.365 -10.189 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.266 4.841 -10.381 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.271 5.567 -11.227 1.00 0.00 N ATOM 0 H ARG A 79 -4.829 6.420 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.653 6.693 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.278 7.788 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.844 6.232 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.756 6.996 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.798 7.639 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.077 5.122 -8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.515 4.770 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.812 6.073 -8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.646 4.682 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.960 4.597 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.198 5.968 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.959 5.321 -12.167 1.00 0.00 H new ATOM 1278 N SER A 80 -8.317 4.273 -4.182 1.00 0.00 N ATOM 1279 CA SER A 80 -8.797 2.913 -4.217 1.00 0.00 C ATOM 1280 C SER A 80 -9.785 2.657 -5.345 1.00 0.00 C ATOM 1281 O SER A 80 -10.020 3.514 -6.194 1.00 0.00 O ATOM 1282 CB SER A 80 -9.416 2.575 -2.875 1.00 0.00 C ATOM 1283 OG SER A 80 -8.420 2.537 -1.872 1.00 0.00 O ATOM 0 H SER A 80 -8.814 4.880 -3.530 1.00 0.00 H new ATOM 0 HA SER A 80 -7.944 2.264 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.172 3.317 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.921 1.611 -2.932 1.00 0.00 H new ATOM 0 HG SER A 80 -7.921 3.380 -1.874 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.336 1.449 -5.348 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.290 1.027 -6.356 1.00 0.00 C ATOM 1291 C LYS A 81 -12.503 1.953 -6.374 1.00 0.00 C ATOM 1292 O LYS A 81 -13.162 2.112 -7.402 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.713 -0.416 -6.088 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.336 -1.072 -7.290 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.535 -2.279 -7.729 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.211 -2.987 -8.878 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.468 -3.663 -8.454 1.00 0.00 N ATOM 0 H LYS A 81 -10.131 0.736 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.817 1.081 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.843 -0.993 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.422 -0.434 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.356 -1.375 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.397 -0.355 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.534 -1.967 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.418 -2.967 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.434 -2.268 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.528 -3.723 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.783 -4.312 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.296 -4.200 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.205 -2.950 -8.282 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.788 2.565 -5.228 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.912 3.486 -5.109 1.00 0.00 C ATOM 1313 C ASN A 82 -13.542 4.859 -5.662 1.00 0.00 C ATOM 1314 O ASN A 82 -14.344 5.792 -5.633 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.354 3.603 -3.649 1.00 0.00 C ATOM 1316 CG ASN A 82 -13.183 3.553 -2.686 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -12.597 4.580 -2.348 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -12.837 2.352 -2.241 1.00 0.00 N ATOM 0 H ASN A 82 -12.255 2.439 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.743 3.091 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.896 4.538 -3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.048 2.795 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.056 2.254 -1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.352 1.527 -2.548 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.312 4.965 -6.165 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.807 6.208 -6.745 1.00 0.00 C ATOM 1327 C GLN A 83 -11.783 7.320 -5.703 1.00 0.00 C ATOM 1328 O GLN A 83 -12.066 8.479 -6.006 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.658 6.623 -7.949 1.00 0.00 C ATOM 1330 CG GLN A 83 -13.202 5.446 -8.745 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.118 5.658 -10.243 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.048 5.156 -10.848 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -14.008 6.252 -10.849 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.642 4.196 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.786 6.035 -7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.492 7.232 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.058 7.251 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.647 4.546 -8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.241 5.274 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.812 6.621 -10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.942 6.376 -11.859 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.439 6.954 -4.473 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.372 7.911 -3.378 1.00 0.00 C ATOM 1344 C GLU A 84 -9.993 7.888 -2.728 1.00 0.00 C ATOM 1345 O GLU A 84 -9.376 6.831 -2.603 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.438 7.596 -2.333 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.834 7.429 -2.912 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.881 7.186 -1.842 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.038 6.022 -1.419 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.543 8.161 -1.427 1.00 0.00 O ATOM 0 H GLU A 84 -11.202 5.997 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.553 8.906 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.160 6.682 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.455 8.396 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.098 8.322 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.836 6.595 -3.614 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.515 9.058 -2.318 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.212 9.165 -1.681 1.00 0.00 C ATOM 1359 C TRP A 85 -8.230 8.520 -0.297 1.00 0.00 C ATOM 1360 O TRP A 85 -8.461 9.185 0.712 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.792 10.634 -1.583 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.381 11.229 -2.893 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.847 12.375 -3.463 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.416 10.699 -3.792 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.226 12.586 -4.672 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.339 11.565 -4.895 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.611 9.572 -3.760 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.479 11.330 -5.965 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.756 9.333 -4.817 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.696 10.209 -5.909 1.00 0.00 C ATOM 0 H TRP A 85 -10.012 9.944 -2.416 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.484 8.632 -2.293 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.620 11.213 -1.174 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.964 10.720 -0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.594 13.023 -3.029 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.397 13.372 -5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.652 8.892 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.432 12.006 -6.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.124 8.458 -4.802 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -4.019 9.995 -6.722 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.985 7.212 -0.269 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.976 6.449 0.975 1.00 0.00 C ATOM 1383 C LEU A 86 -6.692 6.674 1.761 1.00 0.00 C ATOM 1384 O LEU A 86 -5.652 6.109 1.429 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.126 4.953 0.676 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.491 4.503 0.136 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.757 3.064 0.538 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.604 5.413 0.635 1.00 0.00 C ATOM 0 H LEU A 86 -7.789 6.656 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.815 6.796 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.361 4.670 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.920 4.398 1.591 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.471 4.569 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.727 2.752 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.978 2.421 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.757 2.984 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.559 5.071 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.634 5.387 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.417 6.434 0.301 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.763 7.480 2.818 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.586 7.741 3.629 1.00 0.00 C ATOM 1402 C TRP A 87 -5.080 6.452 4.242 1.00 0.00 C ATOM 1403 O TRP A 87 -5.834 5.700 4.856 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.876 8.758 4.726 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.594 10.166 4.305 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.510 11.101 3.918 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.307 10.801 4.215 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.878 12.275 3.590 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.528 12.117 3.763 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.988 10.389 4.470 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.487 13.020 3.559 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.962 11.290 4.265 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.214 12.590 3.813 1.00 0.00 C ATOM 0 H TRP A 87 -7.611 7.955 3.126 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.819 8.159 2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.921 8.676 5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.275 8.519 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.577 10.941 3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.339 13.127 3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.781 9.388 4.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.679 14.025 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.944 10.985 4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.387 13.267 3.662 1.00 0.00 H new ATOM 1424 N MET A 88 -3.800 6.208 4.060 1.00 0.00 N ATOM 1425 CA MET A 88 -3.169 5.007 4.571 1.00 0.00 C ATOM 1426 C MET A 88 -1.808 5.305 5.156 1.00 0.00 C ATOM 1427 O MET A 88 -1.177 6.308 4.835 1.00 0.00 O ATOM 1428 CB MET A 88 -2.996 3.987 3.451 1.00 0.00 C ATOM 1429 CG MET A 88 -4.272 3.671 2.714 1.00 0.00 C ATOM 1430 SD MET A 88 -5.122 2.221 3.344 1.00 0.00 S ATOM 1431 CE MET A 88 -6.476 2.142 2.181 1.00 0.00 C ATOM 0 H MET A 88 -3.169 6.832 3.557 1.00 0.00 H new ATOM 0 HA MET A 88 -3.816 4.609 5.353 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.260 4.363 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.592 3.066 3.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.940 4.530 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.045 3.519 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.598 1.116 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.394 2.471 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.264 2.790 1.331 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.375 4.414 6.021 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.075 4.512 6.649 1.00 0.00 C ATOM 1443 C ARG A 89 0.755 3.315 6.222 1.00 0.00 C ATOM 1444 O ARG A 89 0.363 2.171 6.454 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.214 4.527 8.167 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.229 5.532 8.674 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.717 6.238 9.913 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.659 5.348 11.070 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.312 5.748 12.291 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.002 7.017 12.513 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.281 4.877 13.290 1.00 0.00 N ATOM 0 H ARG A 89 -1.916 3.599 6.310 1.00 0.00 H new ATOM 0 HA ARG A 89 0.410 5.439 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.500 3.532 8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.757 4.749 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.442 6.264 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.167 5.025 8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.277 6.640 9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.364 7.085 10.140 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.898 4.366 10.935 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.022 7.690 11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.267 7.320 13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.523 3.900 13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.015 5.184 14.226 1.00 0.00 H new ATOM 1465 N THR A 90 1.897 3.564 5.610 1.00 0.00 N ATOM 1466 CA THR A 90 2.729 2.470 5.127 1.00 0.00 C ATOM 1467 C THR A 90 3.809 2.061 6.105 1.00 0.00 C ATOM 1468 O THR A 90 4.476 2.908 6.708 1.00 0.00 O ATOM 1469 CB THR A 90 3.425 2.820 3.810 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.634 3.536 4.072 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.521 3.649 2.932 1.00 0.00 C ATOM 0 H THR A 90 2.269 4.498 5.436 1.00 0.00 H new ATOM 0 HA THR A 90 2.032 1.643 4.990 1.00 0.00 H new ATOM 0 HB THR A 90 3.660 1.892 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.402 2.988 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.036 3.886 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.613 3.088 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.260 4.573 3.448 1.00 0.00 H new ATOM 1479 N SER A 91 3.971 0.746 6.230 1.00 0.00 N ATOM 1480 CA SER A 91 4.999 0.150 7.065 1.00 0.00 C ATOM 1481 C SER A 91 6.006 -0.521 6.138 1.00 0.00 C ATOM 1482 O SER A 91 6.092 -1.749 6.068 1.00 0.00 O ATOM 1483 CB SER A 91 4.383 -0.868 8.028 1.00 0.00 C ATOM 1484 OG SER A 91 4.109 -0.280 9.288 1.00 0.00 O ATOM 0 H SER A 91 3.386 0.063 5.749 1.00 0.00 H new ATOM 0 HA SER A 91 5.491 0.910 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.462 -1.266 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.064 -1.709 8.157 1.00 0.00 H new ATOM 0 HG SER A 91 3.715 -0.951 9.883 1.00 0.00 H new ATOM 1490 N SER A 92 6.754 0.310 5.417 1.00 0.00 N ATOM 1491 CA SER A 92 7.723 -0.164 4.434 1.00 0.00 C ATOM 1492 C SER A 92 9.051 -0.553 5.064 1.00 0.00 C ATOM 1493 O SER A 92 9.689 0.239 5.744 1.00 0.00 O ATOM 1494 CB SER A 92 7.954 0.914 3.380 1.00 0.00 C ATOM 1495 OG SER A 92 6.791 1.702 3.195 1.00 0.00 O ATOM 0 H SER A 92 6.706 1.326 5.497 1.00 0.00 H new ATOM 0 HA SER A 92 7.306 -1.061 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.785 1.551 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.237 0.449 2.435 1.00 0.00 H new ATOM 0 HG SER A 92 6.802 2.095 2.297 1.00 0.00 H new ATOM 1501 N GLN A 93 9.461 -1.782 4.814 1.00 0.00 N ATOM 1502 CA GLN A 93 10.720 -2.295 5.323 1.00 0.00 C ATOM 1503 C GLN A 93 11.141 -3.506 4.513 1.00 0.00 C ATOM 1504 O GLN A 93 10.302 -4.300 4.103 1.00 0.00 O ATOM 1505 CB GLN A 93 10.603 -2.647 6.800 1.00 0.00 C ATOM 1506 CG GLN A 93 9.541 -3.687 7.106 1.00 0.00 C ATOM 1507 CD GLN A 93 9.505 -4.042 8.573 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.647 -3.899 9.229 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.467 -4.428 9.112 1.00 0.00 N flip ATOM 0 H GLN A 93 8.933 -2.452 4.254 1.00 0.00 H new ATOM 0 HA GLN A 93 11.482 -1.522 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.567 -3.013 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.381 -1.740 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.565 -3.310 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.734 -4.586 6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.612 -4.522 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.462 -4.654 10.107 1.00 0.00 H new ATOM 1518 N THR A 94 12.444 -3.646 4.304 1.00 0.00 N ATOM 1519 CA THR A 94 12.984 -4.741 3.509 1.00 0.00 C ATOM 1520 C THR A 94 12.247 -6.048 3.757 1.00 0.00 C ATOM 1521 O THR A 94 12.179 -6.544 4.882 1.00 0.00 O ATOM 1522 CB THR A 94 14.480 -4.922 3.787 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.676 -5.548 5.061 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.173 -3.571 3.769 1.00 0.00 C ATOM 0 H THR A 94 13.150 -3.011 4.677 1.00 0.00 H new ATOM 0 HA THR A 94 12.842 -4.475 2.462 1.00 0.00 H new ATOM 0 HB THR A 94 14.907 -5.558 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.806 -5.762 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.236 -3.705 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.042 -3.108 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.739 -2.929 4.536 1.00 0.00 H new ATOM 1532 N ALA A 95 11.690 -6.583 2.677 1.00 0.00 N ATOM 1533 CA ALA A 95 10.930 -7.824 2.712 1.00 0.00 C ATOM 1534 C ALA A 95 11.685 -8.963 3.375 1.00 0.00 C ATOM 1535 O ALA A 95 12.834 -8.821 3.791 1.00 0.00 O ATOM 1536 CB ALA A 95 10.553 -8.233 1.302 1.00 0.00 C ATOM 0 H ALA A 95 11.754 -6.165 1.749 1.00 0.00 H new ATOM 0 HA ALA A 95 10.040 -7.631 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.984 -9.162 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.946 -7.451 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.457 -8.380 0.712 1.00 0.00 H new ATOM 1542 N GLN A 96 11.013 -10.101 3.453 1.00 0.00 N ATOM 1543 CA GLN A 96 11.571 -11.297 4.042 1.00 0.00 C ATOM 1544 C GLN A 96 12.229 -12.153 2.979 1.00 0.00 C ATOM 1545 O GLN A 96 11.721 -12.279 1.865 1.00 0.00 O ATOM 1546 CB GLN A 96 10.464 -12.071 4.734 1.00 0.00 C ATOM 1547 CG GLN A 96 9.585 -11.185 5.592 1.00 0.00 C ATOM 1548 CD GLN A 96 10.278 -10.730 6.861 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.932 -9.688 6.886 1.00 0.00 O ATOM 1550 NE2 GLN A 96 10.134 -11.509 7.925 1.00 0.00 N ATOM 0 H GLN A 96 10.061 -10.216 3.106 1.00 0.00 H new ATOM 0 HA GLN A 96 12.332 -11.021 4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.850 -12.569 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.904 -12.851 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.282 -10.311 5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.675 -11.726 5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.583 -12.365 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.575 -11.252 8.808 1.00 0.00 H new ATOM 1619 N ASP A 101 15.828 -7.964 -0.559 1.00 0.00 N ATOM 1620 CA ASP A 101 16.212 -6.830 -1.387 1.00 0.00 C ATOM 1621 C ASP A 101 14.977 -6.008 -1.732 1.00 0.00 C ATOM 1622 O ASP A 101 15.076 -4.872 -2.195 1.00 0.00 O ATOM 1623 CB ASP A 101 16.904 -7.305 -2.666 1.00 0.00 C ATOM 1624 CG ASP A 101 18.194 -8.050 -2.382 1.00 0.00 C ATOM 1625 OD1 ASP A 101 19.248 -7.389 -2.270 1.00 0.00 O ATOM 1626 OD2 ASP A 101 18.151 -9.293 -2.272 1.00 0.00 O ATOM 0 HA ASP A 101 16.914 -6.210 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.228 -7.954 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.116 -6.446 -3.302 1.00 0.00 H new ATOM 1631 N GLU A 102 13.811 -6.604 -1.497 1.00 0.00 N ATOM 1632 CA GLU A 102 12.539 -5.946 -1.763 1.00 0.00 C ATOM 1633 C GLU A 102 12.141 -5.051 -0.612 1.00 0.00 C ATOM 1634 O GLU A 102 12.964 -4.679 0.224 1.00 0.00 O ATOM 1635 CB GLU A 102 11.435 -6.964 -1.995 1.00 0.00 C ATOM 1636 CG GLU A 102 11.507 -7.589 -3.357 1.00 0.00 C ATOM 1637 CD GLU A 102 10.626 -6.890 -4.369 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.406 -6.805 -4.126 1.00 0.00 O ATOM 1639 OE2 GLU A 102 11.155 -6.427 -5.400 1.00 0.00 O ATOM 0 H GLU A 102 13.723 -7.548 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 102 12.671 -5.344 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.500 -7.744 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.466 -6.479 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.539 -7.571 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.213 -8.636 -3.287 1.00 0.00 H new ATOM 1646 N ILE A 103 10.861 -4.720 -0.579 1.00 0.00 N ATOM 1647 CA ILE A 103 10.318 -3.868 0.468 1.00 0.00 C ATOM 1648 C ILE A 103 8.880 -4.236 0.806 1.00 0.00 C ATOM 1649 O ILE A 103 7.957 -3.989 0.026 1.00 0.00 O ATOM 1650 CB ILE A 103 10.377 -2.375 0.071 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.823 -1.964 -0.225 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.763 -1.499 1.161 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.969 -0.590 -0.841 1.00 0.00 C ATOM 0 H ILE A 103 10.175 -5.029 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 103 10.940 -4.030 1.348 1.00 0.00 H new ATOM 0 HB ILE A 103 9.790 -2.230 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.394 -1.995 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.266 -2.699 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.816 -0.453 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.721 -1.781 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.314 -1.637 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.024 -0.380 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.429 -0.556 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.559 0.158 -0.163 1.00 0.00 H new ATOM 1665 N GLU A 104 8.711 -4.844 1.972 1.00 0.00 N ATOM 1666 CA GLU A 104 7.401 -5.229 2.465 1.00 0.00 C ATOM 1667 C GLU A 104 6.708 -4.017 3.068 1.00 0.00 C ATOM 1668 O GLU A 104 7.087 -3.541 4.140 1.00 0.00 O ATOM 1669 CB GLU A 104 7.549 -6.320 3.518 1.00 0.00 C ATOM 1670 CG GLU A 104 6.316 -7.189 3.665 1.00 0.00 C ATOM 1671 CD GLU A 104 6.531 -8.354 4.610 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.359 -8.166 5.833 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.875 -9.454 4.128 1.00 0.00 O ATOM 0 H GLU A 104 9.478 -5.083 2.600 1.00 0.00 H new ATOM 0 HA GLU A 104 6.801 -5.611 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.400 -6.951 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.775 -5.858 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.488 -6.580 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.026 -7.570 2.686 1.00 0.00 H new ATOM 1680 N THR A 105 5.695 -3.522 2.377 1.00 0.00 N ATOM 1681 CA THR A 105 4.968 -2.347 2.826 1.00 0.00 C ATOM 1682 C THR A 105 3.547 -2.687 3.264 1.00 0.00 C ATOM 1683 O THR A 105 2.720 -3.103 2.454 1.00 0.00 O ATOM 1684 CB THR A 105 4.937 -1.288 1.710 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.239 -0.718 1.566 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.926 -0.189 1.999 1.00 0.00 C ATOM 0 H THR A 105 5.357 -3.917 1.500 1.00 0.00 H new ATOM 0 HA THR A 105 5.492 -1.948 3.694 1.00 0.00 H new ATOM 0 HB THR A 105 4.634 -1.780 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.349 -0.379 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.936 0.538 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.930 -0.624 2.084 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.186 0.308 2.934 1.00 0.00 H new ATOM 1694 N ILE A 106 3.275 -2.500 4.553 1.00 0.00 N ATOM 1695 CA ILE A 106 1.950 -2.772 5.098 1.00 0.00 C ATOM 1696 C ILE A 106 1.095 -1.514 5.074 1.00 0.00 C ATOM 1697 O ILE A 106 1.240 -0.635 5.925 1.00 0.00 O ATOM 1698 CB ILE A 106 2.006 -3.308 6.544 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.704 -4.670 6.583 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.597 -3.414 7.128 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.206 -4.589 6.423 1.00 0.00 C ATOM 0 H ILE A 106 3.953 -2.162 5.237 1.00 0.00 H new ATOM 0 HA ILE A 106 1.508 -3.542 4.465 1.00 0.00 H new ATOM 0 HB ILE A 106 2.581 -2.608 7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.474 -5.159 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.297 -5.300 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.654 -3.794 8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.130 -2.429 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.001 -4.095 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.631 -5.592 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.445 -4.130 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.626 -3.987 7.229 1.00 0.00 H new ATOM 1713 N ILE A 107 0.209 -1.433 4.094 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.667 -0.283 3.958 1.00 0.00 C ATOM 1715 C ILE A 107 -1.881 -0.397 4.880 1.00 0.00 C ATOM 1716 O ILE A 107 -2.777 -1.202 4.641 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.135 -0.129 2.508 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.078 0.071 1.604 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.100 1.040 2.392 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.247 -0.007 0.135 1.00 0.00 C ATOM 0 H ILE A 107 0.078 -2.151 3.381 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.095 0.599 4.246 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.660 -1.031 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.524 1.042 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.827 -0.684 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.427 1.141 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.966 0.862 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.601 1.957 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.662 0.144 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.665 -0.987 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.973 0.765 -0.119 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.903 0.424 5.927 1.00 0.00 N ATOM 1733 CA CYS A 108 -2.999 0.408 6.897 1.00 0.00 C ATOM 1734 C CYS A 108 -3.947 1.587 6.693 1.00 0.00 C ATOM 1735 O CYS A 108 -3.516 2.730 6.576 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.436 0.437 8.318 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.679 0.707 9.603 1.00 0.00 S ATOM 0 H CYS A 108 -1.175 1.110 6.127 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.567 -0.510 6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.926 -0.506 8.514 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.685 1.225 8.383 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.751 0.028 9.320 1.00 0.00 H new ATOM 1743 N THR A 109 -5.243 1.297 6.661 1.00 0.00 N ATOM 1744 CA THR A 109 -6.258 2.330 6.476 1.00 0.00 C ATOM 1745 C THR A 109 -6.267 3.316 7.640 1.00 0.00 C ATOM 1746 O THR A 109 -6.083 2.930 8.793 1.00 0.00 O ATOM 1747 CB THR A 109 -7.661 1.715 6.344 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.994 0.990 7.534 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.730 0.788 5.145 1.00 0.00 C ATOM 0 H THR A 109 -5.617 0.353 6.761 1.00 0.00 H new ATOM 0 HA THR A 109 -6.003 2.857 5.557 1.00 0.00 H new ATOM 0 HB THR A 109 -8.377 2.524 6.202 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.890 0.603 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.731 0.364 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.505 1.349 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.003 -0.016 5.264 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.487 4.589 7.326 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.527 5.631 8.347 1.00 0.00 C ATOM 1759 C ASN A 110 -7.684 6.597 8.102 1.00 0.00 C ATOM 1760 O ASN A 110 -7.479 7.804 7.960 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.207 6.403 8.374 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.023 7.177 9.668 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -3.779 7.303 10.113 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -5.990 7.652 10.262 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.640 4.924 6.375 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.679 5.146 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.378 5.707 8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.174 7.094 7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.930 7.532 9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.852 8.166 11.132 1.00 0.00 H new