USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1025 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 38 CYS SG : rot 69:sc= -2.55 USER MOD Set 1.2: A 79 CYS SG : rot 56:sc= -0.0714 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -158:sc= -0.0614 (180deg=-0.415) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -5.39! C(o=-5.9!,f=-5.4!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 10 ASN : amide:sc=-0.00416 X(o=-0.0042,f=0) USER MOD Single : A 13 GLN : amide:sc= -3.08 K(o=-3.1,f=-6.1!) USER MOD Single : A 16 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 37 THR OG1 : rot 149:sc= -1.01 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0131) USER MOD Single : A 41 MET CE :methyl 137:sc= -7.84! (180deg=-9.87!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -120:sc= -0.823 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.195 (180deg=-0.773) USER MOD Single : A 54 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.38) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 136:sc= -0.214 (180deg=-3.25!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -16:sc= 0.897 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.2!) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.821 (180deg=-2.31!) USER MOD Single : A 89 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-5.3!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 98 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.73 K(o=-1.7,f=-6.1!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.3!) USER MOD Single : A 112 MET CE :methyl 145:sc= -7.94! (180deg=-9.51!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 120 TYR OH : rot 78:sc= 2.11 USER MOD Single : A 125 LYS NZ :NH3+ 171:sc= -0.173 (180deg=-0.361) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -11.055 10.876 -13.955 1.00 0.00 N ATOM 2 CA SER A 2 -12.327 10.398 -13.352 1.00 0.00 C ATOM 3 C SER A 2 -12.086 9.772 -11.982 1.00 0.00 C ATOM 4 O SER A 2 -12.714 10.155 -10.995 1.00 0.00 O ATOM 5 CB SER A 2 -12.959 9.374 -14.296 1.00 0.00 C ATOM 6 OG SER A 2 -13.501 10.005 -15.444 1.00 0.00 O ATOM 0 HA SER A 2 -12.998 11.246 -13.213 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.210 8.643 -14.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.744 8.828 -13.773 1.00 0.00 H new ATOM 0 HG SER A 2 -13.897 9.329 -16.032 1.00 0.00 H new ATOM 14 N TYR A 3 -11.173 8.808 -11.929 1.00 0.00 N ATOM 15 CA TYR A 3 -10.850 8.128 -10.680 1.00 0.00 C ATOM 16 C TYR A 3 -9.458 8.519 -10.192 1.00 0.00 C ATOM 17 O TYR A 3 -9.309 9.115 -9.125 1.00 0.00 O ATOM 18 CB TYR A 3 -10.931 6.612 -10.863 1.00 0.00 C ATOM 19 CG TYR A 3 -11.478 5.884 -9.656 1.00 0.00 C ATOM 20 CD1 TYR A 3 -12.813 6.011 -9.291 1.00 0.00 C ATOM 21 CD2 TYR A 3 -10.661 5.069 -8.883 1.00 0.00 C ATOM 22 CE1 TYR A 3 -13.317 5.348 -8.188 1.00 0.00 C ATOM 23 CE2 TYR A 3 -11.158 4.403 -7.779 1.00 0.00 C ATOM 24 CZ TYR A 3 -12.485 4.544 -7.437 1.00 0.00 C ATOM 25 OH TYR A 3 -12.984 3.883 -6.338 1.00 0.00 O ATOM 0 H TYR A 3 -10.643 8.480 -12.737 1.00 0.00 H new ATOM 0 HA TYR A 3 -11.579 8.435 -9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.560 6.392 -11.725 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.936 6.228 -11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.467 6.638 -9.879 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.621 4.954 -9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.356 5.459 -7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.509 3.775 -7.187 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.270 3.358 -5.920 1.00 0.00 H new ATOM 35 N MET A 4 -8.443 8.179 -10.980 1.00 0.00 N ATOM 36 CA MET A 4 -7.063 8.495 -10.629 1.00 0.00 C ATOM 37 C MET A 4 -6.669 7.820 -9.318 1.00 0.00 C ATOM 38 O MET A 4 -7.522 7.498 -8.493 1.00 0.00 O ATOM 39 CB MET A 4 -6.877 10.009 -10.513 1.00 0.00 C ATOM 40 CG MET A 4 -5.421 10.445 -10.526 1.00 0.00 C ATOM 41 SD MET A 4 -5.214 12.155 -11.057 1.00 0.00 S ATOM 42 CE MET A 4 -5.587 12.016 -12.803 1.00 0.00 C ATOM 0 H MET A 4 -8.550 7.685 -11.866 1.00 0.00 H new ATOM 0 HA MET A 4 -6.417 8.117 -11.421 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.401 10.495 -11.336 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.343 10.354 -9.590 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.001 10.325 -9.527 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.856 9.791 -11.190 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.141 12.855 -13.338 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.180 11.082 -13.189 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.667 12.027 -12.946 1.00 0.00 H new ATOM 52 N LEU A 5 -5.367 7.609 -9.137 1.00 0.00 N ATOM 53 CA LEU A 5 -4.852 6.970 -7.933 1.00 0.00 C ATOM 54 C LEU A 5 -5.419 7.627 -6.673 1.00 0.00 C ATOM 55 O LEU A 5 -5.022 8.733 -6.309 1.00 0.00 O ATOM 56 CB LEU A 5 -3.324 7.041 -7.910 1.00 0.00 C ATOM 57 CG LEU A 5 -2.634 6.553 -9.187 1.00 0.00 C ATOM 58 CD1 LEU A 5 -2.263 7.729 -10.077 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.399 5.731 -8.845 1.00 0.00 C ATOM 0 H LEU A 5 -4.649 7.873 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.166 5.926 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.026 8.073 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.960 6.449 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.331 5.917 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.774 7.362 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.165 8.277 -10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.584 8.392 -9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.921 5.392 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.699 6.344 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.691 4.867 -8.248 1.00 0.00 H new ATOM 71 N PRO A 6 -6.359 6.951 -5.985 1.00 0.00 N ATOM 72 CA PRO A 6 -6.974 7.483 -4.764 1.00 0.00 C ATOM 73 C PRO A 6 -5.937 7.886 -3.721 1.00 0.00 C ATOM 74 O PRO A 6 -4.974 7.158 -3.475 1.00 0.00 O ATOM 75 CB PRO A 6 -7.821 6.314 -4.251 1.00 0.00 C ATOM 76 CG PRO A 6 -8.106 5.493 -5.459 1.00 0.00 C ATOM 77 CD PRO A 6 -6.897 5.625 -6.341 1.00 0.00 C ATOM 0 HA PRO A 6 -7.548 8.388 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.284 5.737 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.742 6.667 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.282 4.451 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.002 5.846 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.173 4.833 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.162 5.569 -7.397 1.00 0.00 H new ATOM 85 N HIS A 7 -6.138 9.048 -3.111 1.00 0.00 N ATOM 86 CA HIS A 7 -5.221 9.548 -2.094 1.00 0.00 C ATOM 87 C HIS A 7 -5.867 9.513 -0.712 1.00 0.00 C ATOM 88 O HIS A 7 -6.979 9.011 -0.549 1.00 0.00 O ATOM 89 CB HIS A 7 -4.785 10.978 -2.425 1.00 0.00 C ATOM 90 CG HIS A 7 -4.166 11.117 -3.781 1.00 0.00 C ATOM 91 ND1 HIS A 7 -2.868 11.230 -4.155 1.00 0.00 N flip ATOM 92 CD2 HIS A 7 -4.903 11.156 -4.946 1.00 0.00 C flip ATOM 93 CE1 HIS A 7 -2.848 11.334 -5.524 1.00 0.00 C flip ATOM 94 NE2 HIS A 7 -4.086 11.286 -5.977 1.00 0.00 N flip ATOM 0 H HIS A 7 -6.929 9.662 -3.303 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.345 8.900 -2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.651 11.637 -2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.072 11.315 -1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.979 11.091 -5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -1.961 11.438 -6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.365 11.340 -6.957 1.00 0.00 H new ATOM 103 N LEU A 8 -5.162 10.049 0.279 1.00 0.00 N ATOM 104 CA LEU A 8 -5.667 10.081 1.646 1.00 0.00 C ATOM 105 C LEU A 8 -5.627 11.499 2.206 1.00 0.00 C ATOM 106 O LEU A 8 -5.251 12.442 1.507 1.00 0.00 O ATOM 107 CB LEU A 8 -4.848 9.145 2.538 1.00 0.00 C ATOM 108 CG LEU A 8 -4.933 7.662 2.170 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.157 6.819 3.169 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.385 7.213 2.104 1.00 0.00 C ATOM 0 H LEU A 8 -4.239 10.467 0.160 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.703 9.743 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.803 9.454 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.180 9.268 3.569 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.485 7.524 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.229 5.767 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.111 7.124 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.574 6.960 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.427 6.156 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.857 7.365 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.912 7.796 1.349 1.00 0.00 H new ATOM 122 N HIS A 9 -6.018 11.647 3.467 1.00 0.00 N ATOM 123 CA HIS A 9 -6.027 12.954 4.116 1.00 0.00 C ATOM 124 C HIS A 9 -5.355 12.890 5.483 1.00 0.00 C ATOM 125 O HIS A 9 -4.271 13.439 5.679 1.00 0.00 O ATOM 126 CB HIS A 9 -7.462 13.464 4.260 1.00 0.00 C ATOM 127 CG HIS A 9 -7.607 14.928 3.979 1.00 0.00 C ATOM 128 ND1 HIS A 9 -8.744 15.480 3.427 1.00 0.00 N ATOM 129 CD2 HIS A 9 -6.750 15.958 4.176 1.00 0.00 C ATOM 130 CE1 HIS A 9 -8.580 16.784 3.297 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.380 17.100 3.745 1.00 0.00 N ATOM 0 H HIS A 9 -6.333 10.879 4.060 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.464 13.647 3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.107 12.906 3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.812 13.260 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.756 15.893 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.305 17.475 2.893 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.984 18.040 3.768 1.00 0.00 H new ATOM 140 N ASN A 10 -6.007 12.217 6.428 1.00 0.00 N ATOM 141 CA ASN A 10 -5.471 12.085 7.778 1.00 0.00 C ATOM 142 C ASN A 10 -5.801 10.715 8.363 1.00 0.00 C ATOM 143 O ASN A 10 -6.444 9.890 7.713 1.00 0.00 O ATOM 144 CB ASN A 10 -6.029 13.186 8.680 1.00 0.00 C ATOM 145 CG ASN A 10 -5.265 14.489 8.542 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.314 14.746 9.281 1.00 0.00 O ATOM 147 ND2 ASN A 10 -5.678 15.318 7.591 1.00 0.00 N ATOM 0 H ASN A 10 -6.905 11.756 6.283 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.387 12.185 7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.078 13.355 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.993 12.855 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.203 16.209 7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.471 15.064 7.002 1.00 0.00 H new ATOM 154 N GLY A 11 -5.357 10.482 9.594 1.00 0.00 N ATOM 155 CA GLY A 11 -5.614 9.211 10.247 1.00 0.00 C ATOM 156 C GLY A 11 -7.095 8.894 10.344 1.00 0.00 C ATOM 157 O GLY A 11 -7.484 7.728 10.390 1.00 0.00 O ATOM 0 H GLY A 11 -4.824 11.150 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.111 8.416 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.183 9.227 11.248 1.00 0.00 H new ATOM 161 N TRP A 12 -7.920 9.935 10.377 1.00 0.00 N ATOM 162 CA TRP A 12 -9.366 9.761 10.469 1.00 0.00 C ATOM 163 C TRP A 12 -9.901 9.014 9.252 1.00 0.00 C ATOM 164 O TRP A 12 -10.695 8.082 9.382 1.00 0.00 O ATOM 165 CB TRP A 12 -10.058 11.119 10.594 1.00 0.00 C ATOM 166 CG TRP A 12 -11.362 11.056 11.327 1.00 0.00 C ATOM 167 CD1 TRP A 12 -12.611 11.037 10.777 1.00 0.00 C ATOM 168 CD2 TRP A 12 -11.547 11.003 12.747 1.00 0.00 C ATOM 169 NE1 TRP A 12 -13.562 10.977 11.767 1.00 0.00 N ATOM 170 CE2 TRP A 12 -12.934 10.954 12.985 1.00 0.00 C ATOM 171 CE3 TRP A 12 -10.675 10.993 13.839 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -13.467 10.896 14.271 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -11.205 10.935 15.115 1.00 0.00 C ATOM 174 CH2 TRP A 12 -12.590 10.887 15.321 1.00 0.00 C ATOM 0 H TRP A 12 -7.613 10.907 10.341 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.580 9.170 11.359 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.393 11.811 11.110 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.229 11.524 9.597 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -12.821 11.065 9.718 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -14.571 10.953 11.619 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -9.606 11.030 13.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.534 10.859 14.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -10.541 10.927 15.966 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -12.973 10.842 16.330 1.00 0.00 H new ATOM 185 N GLN A 13 -9.462 9.430 8.069 1.00 0.00 N ATOM 186 CA GLN A 13 -9.895 8.801 6.828 1.00 0.00 C ATOM 187 C GLN A 13 -9.100 7.522 6.569 1.00 0.00 C ATOM 188 O GLN A 13 -9.629 6.549 6.033 1.00 0.00 O ATOM 189 CB GLN A 13 -9.748 9.793 5.662 1.00 0.00 C ATOM 190 CG GLN A 13 -9.116 9.209 4.406 1.00 0.00 C ATOM 191 CD GLN A 13 -9.973 8.133 3.768 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.995 7.727 4.322 1.00 0.00 O ATOM 193 NE2 GLN A 13 -9.560 7.665 2.595 1.00 0.00 N ATOM 0 H GLN A 13 -8.806 10.201 7.944 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.946 8.525 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.734 10.183 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.146 10.638 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.946 10.008 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.141 8.791 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.707 8.030 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.096 6.940 2.118 1.00 0.00 H new ATOM 202 N VAL A 14 -7.829 7.532 6.956 1.00 0.00 N ATOM 203 CA VAL A 14 -6.964 6.374 6.767 1.00 0.00 C ATOM 204 C VAL A 14 -7.409 5.212 7.648 1.00 0.00 C ATOM 205 O VAL A 14 -7.364 4.053 7.234 1.00 0.00 O ATOM 206 CB VAL A 14 -5.494 6.710 7.085 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.589 5.538 6.738 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.059 7.966 6.341 1.00 0.00 C ATOM 0 H VAL A 14 -7.375 8.329 7.402 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.043 6.087 5.718 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.409 6.900 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.555 5.795 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.885 4.665 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.677 5.312 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.018 8.187 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.161 7.807 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.686 8.804 6.644 1.00 0.00 H new ATOM 218 N ASP A 15 -7.841 5.530 8.864 1.00 0.00 N ATOM 219 CA ASP A 15 -8.295 4.513 9.804 1.00 0.00 C ATOM 220 C ASP A 15 -9.668 3.979 9.404 1.00 0.00 C ATOM 221 O ASP A 15 -9.984 2.813 9.641 1.00 0.00 O ATOM 222 CB ASP A 15 -8.352 5.087 11.222 1.00 0.00 C ATOM 223 CG ASP A 15 -8.718 4.039 12.255 1.00 0.00 C ATOM 224 OD1 ASP A 15 -8.474 2.841 11.999 1.00 0.00 O ATOM 225 OD2 ASP A 15 -9.248 4.417 13.321 1.00 0.00 O ATOM 0 H ASP A 15 -7.886 6.484 9.221 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.582 3.689 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.384 5.520 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.082 5.896 11.255 1.00 0.00 H new ATOM 230 N GLN A 16 -10.476 4.840 8.796 1.00 0.00 N ATOM 231 CA GLN A 16 -11.814 4.455 8.362 1.00 0.00 C ATOM 232 C GLN A 16 -11.764 3.746 7.012 1.00 0.00 C ATOM 233 O GLN A 16 -12.594 2.884 6.721 1.00 0.00 O ATOM 234 CB GLN A 16 -12.717 5.686 8.271 1.00 0.00 C ATOM 235 CG GLN A 16 -13.429 6.015 9.573 1.00 0.00 C ATOM 236 CD GLN A 16 -14.300 7.253 9.464 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.214 8.161 10.291 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.144 7.294 8.440 1.00 0.00 N ATOM 0 H GLN A 16 -10.228 5.808 8.593 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.225 3.766 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.118 6.544 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.461 5.524 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.045 5.167 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.690 6.163 10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.181 6.518 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.755 8.101 8.315 1.00 0.00 H new ATOM 247 N ALA A 17 -10.785 4.114 6.191 1.00 0.00 N ATOM 248 CA ALA A 17 -10.626 3.513 4.873 1.00 0.00 C ATOM 249 C ALA A 17 -10.243 2.042 4.983 1.00 0.00 C ATOM 250 O ALA A 17 -10.838 1.186 4.326 1.00 0.00 O ATOM 251 CB ALA A 17 -9.582 4.274 4.070 1.00 0.00 C ATOM 0 H ALA A 17 -10.090 4.826 6.416 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.583 3.574 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.473 3.815 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.898 5.311 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.626 4.243 4.593 1.00 0.00 H new ATOM 257 N ILE A 18 -9.248 1.754 5.814 1.00 0.00 N ATOM 258 CA ILE A 18 -8.787 0.386 6.008 1.00 0.00 C ATOM 259 C ILE A 18 -9.913 -0.502 6.535 1.00 0.00 C ATOM 260 O ILE A 18 -10.094 -1.630 6.077 1.00 0.00 O ATOM 261 CB ILE A 18 -7.583 0.330 6.976 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.857 -1.014 6.857 1.00 0.00 C ATOM 263 CG2 ILE A 18 -8.027 0.578 8.413 1.00 0.00 C ATOM 264 CD1 ILE A 18 -7.657 -2.192 7.370 1.00 0.00 C ATOM 0 H ILE A 18 -8.745 2.450 6.364 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.468 0.012 5.035 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.887 1.121 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.604 -1.187 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.918 -0.958 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.162 0.533 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.489 1.562 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.748 -0.184 8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.075 -3.106 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.888 -2.043 8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.585 -2.276 6.804 1.00 0.00 H new ATOM 276 N LEU A 19 -10.665 0.016 7.500 1.00 0.00 N ATOM 277 CA LEU A 19 -11.772 -0.727 8.089 1.00 0.00 C ATOM 278 C LEU A 19 -12.910 -0.895 7.086 1.00 0.00 C ATOM 279 O LEU A 19 -13.500 -1.968 6.976 1.00 0.00 O ATOM 280 CB LEU A 19 -12.283 -0.015 9.343 1.00 0.00 C ATOM 281 CG LEU A 19 -11.551 -0.376 10.636 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.612 0.778 11.624 1.00 0.00 C ATOM 283 CD2 LEU A 19 -12.144 -1.637 11.249 1.00 0.00 C ATOM 0 H LEU A 19 -10.528 0.948 7.891 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.406 -1.716 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.206 1.061 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.341 -0.244 9.467 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.505 -0.568 10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.086 0.503 12.538 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.141 1.658 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.653 1.002 11.858 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.611 -1.880 12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.198 -1.472 11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.048 -2.464 10.545 1.00 0.00 H new ATOM 295 N SER A 20 -13.211 0.176 6.358 1.00 0.00 N ATOM 296 CA SER A 20 -14.277 0.148 5.363 1.00 0.00 C ATOM 297 C SER A 20 -13.738 -0.274 3.999 1.00 0.00 C ATOM 298 O SER A 20 -13.965 0.398 2.993 1.00 0.00 O ATOM 299 CB SER A 20 -14.944 1.521 5.261 1.00 0.00 C ATOM 300 OG SER A 20 -15.808 1.751 6.360 1.00 0.00 O ATOM 0 H SER A 20 -12.732 1.073 6.438 1.00 0.00 H new ATOM 0 HA SER A 20 -15.019 -0.585 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.180 2.298 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.508 1.586 4.331 1.00 0.00 H new ATOM 0 HG SER A 20 -16.221 2.636 6.272 1.00 0.00 H new ATOM 306 N GLU A 21 -13.021 -1.394 3.973 1.00 0.00 N ATOM 307 CA GLU A 21 -12.448 -1.906 2.733 1.00 0.00 C ATOM 308 C GLU A 21 -13.545 -2.276 1.741 1.00 0.00 C ATOM 309 O GLU A 21 -13.532 -1.834 0.591 1.00 0.00 O ATOM 310 CB GLU A 21 -11.570 -3.125 3.019 1.00 0.00 C ATOM 311 CG GLU A 21 -10.132 -2.772 3.359 1.00 0.00 C ATOM 312 CD GLU A 21 -9.504 -3.752 4.331 1.00 0.00 C ATOM 313 OE1 GLU A 21 -10.127 -4.029 5.378 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.392 -4.242 4.046 1.00 0.00 O ATOM 0 H GLU A 21 -12.823 -1.963 4.796 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.834 -1.120 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.003 -3.688 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.578 -3.781 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.542 -2.746 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.099 -1.770 3.787 1.00 0.00 H new ATOM 321 N GLU A 22 -14.494 -3.090 2.191 1.00 0.00 N ATOM 322 CA GLU A 22 -15.599 -3.522 1.342 1.00 0.00 C ATOM 323 C GLU A 22 -15.082 -4.243 0.100 1.00 0.00 C ATOM 324 O GLU A 22 -15.709 -4.205 -0.958 1.00 0.00 O ATOM 325 CB GLU A 22 -16.452 -2.320 0.929 1.00 0.00 C ATOM 326 CG GLU A 22 -16.970 -1.510 2.106 1.00 0.00 C ATOM 327 CD GLU A 22 -17.919 -2.302 2.985 1.00 0.00 C ATOM 328 OE1 GLU A 22 -18.488 -3.300 2.496 1.00 0.00 O ATOM 329 OE2 GLU A 22 -18.093 -1.923 4.163 1.00 0.00 O ATOM 0 H GLU A 22 -14.520 -3.464 3.139 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.214 -4.217 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.861 -1.670 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.299 -2.671 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.127 -1.166 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.480 -0.621 1.735 1.00 0.00 H new ATOM 336 N ASP A 23 -13.935 -4.901 0.239 1.00 0.00 N ATOM 337 CA ASP A 23 -13.334 -5.630 -0.871 1.00 0.00 C ATOM 338 C ASP A 23 -12.516 -6.812 -0.365 1.00 0.00 C ATOM 339 O ASP A 23 -12.951 -7.961 -0.441 1.00 0.00 O ATOM 340 CB ASP A 23 -12.450 -4.697 -1.703 1.00 0.00 C ATOM 341 CG ASP A 23 -13.254 -3.640 -2.433 1.00 0.00 C ATOM 342 OD1 ASP A 23 -13.983 -3.998 -3.382 1.00 0.00 O ATOM 343 OD2 ASP A 23 -13.154 -2.453 -2.057 1.00 0.00 O ATOM 0 H ASP A 23 -13.404 -4.944 1.109 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.137 -6.012 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.724 -4.212 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.886 -5.285 -2.427 1.00 0.00 H new ATOM 348 N ARG A 24 -11.330 -6.520 0.150 1.00 0.00 N ATOM 349 CA ARG A 24 -10.445 -7.554 0.672 1.00 0.00 C ATOM 350 C ARG A 24 -9.198 -6.942 1.299 1.00 0.00 C ATOM 351 O ARG A 24 -9.086 -6.846 2.521 1.00 0.00 O ATOM 352 CB ARG A 24 -10.051 -8.528 -0.444 1.00 0.00 C ATOM 353 CG ARG A 24 -10.520 -9.953 -0.200 1.00 0.00 C ATOM 354 CD ARG A 24 -10.111 -10.875 -1.337 1.00 0.00 C ATOM 355 NE ARG A 24 -11.104 -11.921 -1.578 1.00 0.00 N ATOM 356 CZ ARG A 24 -12.340 -11.684 -2.008 1.00 0.00 C ATOM 357 NH1 ARG A 24 -12.741 -10.442 -2.247 1.00 0.00 N ATOM 358 NH2 ARG A 24 -13.179 -12.693 -2.201 1.00 0.00 N ATOM 0 H ARG A 24 -10.957 -5.573 0.218 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.983 -8.100 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.466 -8.174 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.966 -8.525 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.101 -10.320 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.604 -9.967 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.973 -10.290 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.150 -11.334 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.833 -12.889 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.100 -9.662 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.690 -10.267 -2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.876 -13.650 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.127 -12.512 -2.531 1.00 0.00 H new ATOM 372 N VAL A 25 -8.265 -6.530 0.452 1.00 0.00 N ATOM 373 CA VAL A 25 -7.020 -5.927 0.916 1.00 0.00 C ATOM 374 C VAL A 25 -7.055 -4.410 0.754 1.00 0.00 C ATOM 375 O VAL A 25 -8.049 -3.849 0.293 1.00 0.00 O ATOM 376 CB VAL A 25 -5.793 -6.483 0.157 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.597 -6.599 1.090 1.00 0.00 C ATOM 378 CG2 VAL A 25 -6.106 -7.831 -0.480 1.00 0.00 C ATOM 0 H VAL A 25 -8.345 -6.602 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.925 -6.182 1.971 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.545 -5.783 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.743 -6.992 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.350 -5.615 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.840 -7.273 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.225 -8.198 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.388 -8.543 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.929 -7.718 -1.185 1.00 0.00 H new ATOM 388 N VAL A 26 -5.962 -3.752 1.128 1.00 0.00 N ATOM 389 CA VAL A 26 -5.865 -2.312 1.019 1.00 0.00 C ATOM 390 C VAL A 26 -4.428 -1.841 1.213 1.00 0.00 C ATOM 391 O VAL A 26 -3.863 -1.967 2.297 1.00 0.00 O ATOM 392 CB VAL A 26 -6.779 -1.601 2.036 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.373 -1.951 3.462 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.757 -0.095 1.817 1.00 0.00 C ATOM 0 H VAL A 26 -5.130 -4.202 1.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.194 -2.050 0.013 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.800 -1.950 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.031 -1.439 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.454 -3.028 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.344 -1.637 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.409 0.388 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.739 0.276 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.107 0.131 0.810 1.00 0.00 H new ATOM 404 N VAL A 27 -3.841 -1.298 0.151 1.00 0.00 N ATOM 405 CA VAL A 27 -2.469 -0.810 0.202 1.00 0.00 C ATOM 406 C VAL A 27 -2.416 0.638 0.681 1.00 0.00 C ATOM 407 O VAL A 27 -3.358 1.405 0.482 1.00 0.00 O ATOM 408 CB VAL A 27 -1.789 -0.921 -1.179 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.403 -0.290 -1.157 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.710 -2.376 -1.617 1.00 0.00 C ATOM 0 H VAL A 27 -4.295 -1.185 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.930 -1.436 0.913 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.395 -0.374 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.054 -0.382 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.487 0.764 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.217 -0.800 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.228 -2.437 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.130 -2.944 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.716 -2.791 -1.683 1.00 0.00 H new ATOM 420 N ILE A 28 -1.304 1.002 1.312 1.00 0.00 N ATOM 421 CA ILE A 28 -1.119 2.355 1.821 1.00 0.00 C ATOM 422 C ILE A 28 0.319 2.820 1.618 1.00 0.00 C ATOM 423 O ILE A 28 1.232 2.371 2.312 1.00 0.00 O ATOM 424 CB ILE A 28 -1.470 2.447 3.318 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.831 1.803 3.586 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.464 3.898 3.776 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.981 2.519 2.912 1.00 0.00 C ATOM 0 H ILE A 28 -0.516 0.377 1.483 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.794 3.001 1.260 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.715 1.904 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.808 0.768 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.008 1.780 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.714 3.946 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.474 4.326 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.200 4.463 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.915 2.008 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.030 3.547 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.827 2.519 1.833 1.00 0.00 H new ATOM 439 N ARG A 29 0.514 3.721 0.661 1.00 0.00 N ATOM 440 CA ARG A 29 1.842 4.246 0.364 1.00 0.00 C ATOM 441 C ARG A 29 2.093 5.549 1.116 1.00 0.00 C ATOM 442 O ARG A 29 1.343 6.515 0.972 1.00 0.00 O ATOM 443 CB ARG A 29 1.997 4.472 -1.141 1.00 0.00 C ATOM 444 CG ARG A 29 3.355 5.029 -1.537 1.00 0.00 C ATOM 445 CD ARG A 29 3.280 6.514 -1.853 1.00 0.00 C ATOM 446 NE ARG A 29 2.814 6.759 -3.216 1.00 0.00 N ATOM 447 CZ ARG A 29 2.316 7.922 -3.630 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.218 8.948 -2.793 1.00 0.00 N ATOM 449 NH2 ARG A 29 1.915 8.061 -4.887 1.00 0.00 N ATOM 0 H ARG A 29 -0.231 4.103 0.078 1.00 0.00 H new ATOM 0 HA ARG A 29 2.578 3.512 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.836 3.527 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.220 5.158 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.067 4.864 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.731 4.490 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.608 7.002 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.264 6.964 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 29 2.874 5.995 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.525 8.848 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.835 9.836 -3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.988 7.277 -5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.533 8.952 -5.205 1.00 0.00 H new ATOM 463 N PHE A 30 3.153 5.569 1.917 1.00 0.00 N ATOM 464 CA PHE A 30 3.503 6.754 2.691 1.00 0.00 C ATOM 465 C PHE A 30 4.630 7.531 2.017 1.00 0.00 C ATOM 466 O PHE A 30 5.768 7.065 1.956 1.00 0.00 O ATOM 467 CB PHE A 30 3.917 6.360 4.109 1.00 0.00 C ATOM 468 CG PHE A 30 2.761 5.968 4.985 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.254 4.679 4.948 1.00 0.00 C ATOM 470 CD2 PHE A 30 2.183 6.886 5.845 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.191 4.314 5.752 1.00 0.00 C ATOM 472 CE2 PHE A 30 1.120 6.528 6.652 1.00 0.00 C ATOM 473 CZ PHE A 30 0.624 5.240 6.606 1.00 0.00 C ATOM 0 H PHE A 30 3.784 4.778 2.047 1.00 0.00 H new ATOM 0 HA PHE A 30 2.623 7.396 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.620 5.529 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.445 7.195 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.695 3.951 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.568 7.894 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.804 3.306 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.678 7.254 7.318 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.206 4.957 7.237 1.00 0.00 H new ATOM 483 N GLY A 31 4.305 8.716 1.510 1.00 0.00 N ATOM 484 CA GLY A 31 5.301 9.537 0.848 1.00 0.00 C ATOM 485 C GLY A 31 4.711 10.369 -0.275 1.00 0.00 C ATOM 486 O GLY A 31 3.814 9.917 -0.987 1.00 0.00 O ATOM 0 H GLY A 31 3.370 9.122 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.768 10.197 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.088 8.897 0.448 1.00 0.00 H new ATOM 490 N HIS A 32 5.216 11.588 -0.434 1.00 0.00 N ATOM 491 CA HIS A 32 4.734 12.484 -1.479 1.00 0.00 C ATOM 492 C HIS A 32 4.922 11.862 -2.859 1.00 0.00 C ATOM 493 O HIS A 32 5.963 11.273 -3.149 1.00 0.00 O ATOM 494 CB HIS A 32 5.467 13.825 -1.407 1.00 0.00 C ATOM 495 CG HIS A 32 4.586 15.005 -1.682 1.00 0.00 C ATOM 496 ND1 HIS A 32 3.894 15.674 -0.693 1.00 0.00 N ATOM 497 CD2 HIS A 32 4.285 15.636 -2.841 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.207 16.664 -1.233 1.00 0.00 C ATOM 499 NE2 HIS A 32 3.427 16.663 -2.535 1.00 0.00 N ATOM 0 H HIS A 32 5.958 11.978 0.147 1.00 0.00 H new ATOM 0 HA HIS A 32 3.669 12.650 -1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.909 13.935 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.288 13.820 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.652 15.379 -3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.573 17.357 -0.700 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.025 17.319 -3.205 1.00 0.00 H new ATOM 508 N ASP A 33 3.906 11.996 -3.707 1.00 0.00 N ATOM 509 CA ASP A 33 3.958 11.446 -5.058 1.00 0.00 C ATOM 510 C ASP A 33 5.170 11.974 -5.821 1.00 0.00 C ATOM 511 O ASP A 33 5.706 11.298 -6.698 1.00 0.00 O ATOM 512 CB ASP A 33 2.675 11.788 -5.818 1.00 0.00 C ATOM 513 CG ASP A 33 2.606 11.106 -7.171 1.00 0.00 C ATOM 514 OD1 ASP A 33 3.319 10.100 -7.365 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.838 11.579 -8.035 1.00 0.00 O ATOM 0 H ASP A 33 3.037 12.481 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 33 4.050 10.363 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.812 11.493 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.614 12.868 -5.955 1.00 0.00 H new ATOM 520 N TRP A 34 5.597 13.186 -5.479 1.00 0.00 N ATOM 521 CA TRP A 34 6.746 13.804 -6.131 1.00 0.00 C ATOM 522 C TRP A 34 7.996 12.940 -5.980 1.00 0.00 C ATOM 523 O TRP A 34 8.923 13.027 -6.784 1.00 0.00 O ATOM 524 CB TRP A 34 6.999 15.197 -5.550 1.00 0.00 C ATOM 525 CG TRP A 34 6.502 16.307 -6.425 1.00 0.00 C ATOM 526 CD1 TRP A 34 7.010 17.571 -6.513 1.00 0.00 C ATOM 527 CD2 TRP A 34 5.398 16.253 -7.336 1.00 0.00 C ATOM 528 NE1 TRP A 34 6.291 18.307 -7.423 1.00 0.00 N ATOM 529 CE2 TRP A 34 5.295 17.520 -7.943 1.00 0.00 C ATOM 530 CE3 TRP A 34 4.486 15.257 -7.699 1.00 0.00 C ATOM 531 CZ2 TRP A 34 4.319 17.816 -8.890 1.00 0.00 C ATOM 532 CZ3 TRP A 34 3.518 15.553 -8.641 1.00 0.00 C ATOM 533 CH2 TRP A 34 3.440 16.822 -9.226 1.00 0.00 C ATOM 0 H TRP A 34 5.165 13.759 -4.754 1.00 0.00 H new ATOM 0 HA TRP A 34 6.521 13.895 -7.194 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.516 15.269 -4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.069 15.325 -5.386 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.854 17.939 -5.949 1.00 0.00 H new ATOM 0 HE1 TRP A 34 6.469 19.280 -7.672 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.537 14.275 -7.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.257 18.794 -9.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 2.809 14.791 -8.931 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.671 17.021 -9.957 1.00 0.00 H new ATOM 544 N ASP A 35 8.015 12.107 -4.942 1.00 0.00 N ATOM 545 CA ASP A 35 9.153 11.230 -4.687 1.00 0.00 C ATOM 546 C ASP A 35 9.446 10.343 -5.897 1.00 0.00 C ATOM 547 O ASP A 35 8.538 9.980 -6.644 1.00 0.00 O ATOM 548 CB ASP A 35 8.886 10.360 -3.457 1.00 0.00 C ATOM 549 CG ASP A 35 8.552 11.183 -2.228 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.005 12.344 -2.150 1.00 0.00 O ATOM 551 OD2 ASP A 35 7.838 10.666 -1.344 1.00 0.00 O ATOM 0 H ASP A 35 7.256 12.022 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 35 10.025 11.857 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.062 9.678 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.763 9.746 -3.252 1.00 0.00 H new ATOM 556 N PRO A 36 10.724 9.983 -6.105 1.00 0.00 N ATOM 557 CA PRO A 36 11.133 9.135 -7.231 1.00 0.00 C ATOM 558 C PRO A 36 10.380 7.809 -7.261 1.00 0.00 C ATOM 559 O PRO A 36 9.682 7.502 -8.227 1.00 0.00 O ATOM 560 CB PRO A 36 12.624 8.894 -6.982 1.00 0.00 C ATOM 561 CG PRO A 36 13.057 10.027 -6.118 1.00 0.00 C ATOM 562 CD PRO A 36 11.870 10.372 -5.263 1.00 0.00 C ATOM 0 HA PRO A 36 10.921 9.608 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.793 7.936 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.183 8.875 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.912 9.745 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.366 10.881 -6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.881 9.826 -4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.846 11.433 -5.016 1.00 0.00 H new ATOM 570 N THR A 37 10.529 7.026 -6.197 1.00 0.00 N ATOM 571 CA THR A 37 9.871 5.735 -6.096 1.00 0.00 C ATOM 572 C THR A 37 8.366 5.874 -6.285 1.00 0.00 C ATOM 573 O THR A 37 7.705 4.970 -6.797 1.00 0.00 O ATOM 574 CB THR A 37 10.169 5.090 -4.742 1.00 0.00 C ATOM 575 OG1 THR A 37 11.561 5.100 -4.477 1.00 0.00 O ATOM 576 CG2 THR A 37 9.694 3.657 -4.644 1.00 0.00 C ATOM 0 H THR A 37 11.104 7.268 -5.390 1.00 0.00 H new ATOM 0 HA THR A 37 10.261 5.096 -6.888 1.00 0.00 H new ATOM 0 HB THR A 37 9.623 5.687 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.710 5.169 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.937 3.260 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.615 3.620 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.187 3.057 -5.409 1.00 0.00 H new ATOM 584 N CYS A 38 7.832 7.016 -5.867 1.00 0.00 N ATOM 585 CA CYS A 38 6.403 7.281 -5.989 1.00 0.00 C ATOM 586 C CYS A 38 5.979 7.311 -7.454 1.00 0.00 C ATOM 587 O CYS A 38 4.852 6.950 -7.791 1.00 0.00 O ATOM 588 CB CYS A 38 6.050 8.609 -5.314 1.00 0.00 C ATOM 589 SG CYS A 38 5.450 8.436 -3.617 1.00 0.00 S ATOM 0 H CYS A 38 8.367 7.773 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 38 5.864 6.475 -5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.932 9.250 -5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.289 9.115 -5.908 1.00 0.00 H new ATOM 0 HG CYS A 38 6.426 8.051 -2.849 1.00 0.00 H new ATOM 595 N MET A 39 6.891 7.741 -8.319 1.00 0.00 N ATOM 596 CA MET A 39 6.612 7.816 -9.748 1.00 0.00 C ATOM 597 C MET A 39 6.542 6.422 -10.362 1.00 0.00 C ATOM 598 O MET A 39 5.724 6.161 -11.244 1.00 0.00 O ATOM 599 CB MET A 39 7.687 8.645 -10.455 1.00 0.00 C ATOM 600 CG MET A 39 7.133 9.574 -11.524 1.00 0.00 C ATOM 601 SD MET A 39 8.252 9.762 -12.927 1.00 0.00 S ATOM 602 CE MET A 39 8.274 11.544 -13.105 1.00 0.00 C ATOM 0 H MET A 39 7.829 8.043 -8.056 1.00 0.00 H new ATOM 0 HA MET A 39 5.644 8.300 -9.880 1.00 0.00 H new ATOM 0 HB2 MET A 39 8.224 9.237 -9.714 1.00 0.00 H new ATOM 0 HB3 MET A 39 8.412 7.971 -10.911 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.177 9.187 -11.876 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.939 10.553 -11.085 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.925 11.819 -13.935 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.264 11.902 -13.302 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.647 11.997 -12.186 1.00 0.00 H new ATOM 612 N LYS A 40 7.405 5.529 -9.887 1.00 0.00 N ATOM 613 CA LYS A 40 7.441 4.159 -10.389 1.00 0.00 C ATOM 614 C LYS A 40 6.191 3.394 -9.966 1.00 0.00 C ATOM 615 O LYS A 40 5.497 2.809 -10.798 1.00 0.00 O ATOM 616 CB LYS A 40 8.691 3.440 -9.879 1.00 0.00 C ATOM 617 CG LYS A 40 9.980 4.204 -10.135 1.00 0.00 C ATOM 618 CD LYS A 40 10.476 4.001 -11.556 1.00 0.00 C ATOM 619 CE LYS A 40 11.925 4.432 -11.707 1.00 0.00 C ATOM 620 NZ LYS A 40 12.106 5.885 -11.435 1.00 0.00 N ATOM 0 H LYS A 40 8.088 5.729 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 40 7.472 4.197 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.588 3.266 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.757 2.462 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.816 5.266 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.745 3.875 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.377 2.951 -11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.852 4.570 -12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.548 3.855 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.267 4.207 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.091 6.155 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.468 6.435 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.885 6.082 -10.438 1.00 0.00 H new ATOM 634 N MET A 41 5.910 3.401 -8.667 1.00 0.00 N ATOM 635 CA MET A 41 4.743 2.708 -8.133 1.00 0.00 C ATOM 636 C MET A 41 3.460 3.230 -8.771 1.00 0.00 C ATOM 637 O MET A 41 2.556 2.460 -9.092 1.00 0.00 O ATOM 638 CB MET A 41 4.676 2.875 -6.613 1.00 0.00 C ATOM 639 CG MET A 41 3.499 2.158 -5.974 1.00 0.00 C ATOM 640 SD MET A 41 2.751 3.106 -4.634 1.00 0.00 S ATOM 641 CE MET A 41 2.907 1.952 -3.273 1.00 0.00 C ATOM 0 H MET A 41 6.474 3.879 -7.965 1.00 0.00 H new ATOM 0 HA MET A 41 4.840 1.649 -8.371 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.601 2.501 -6.174 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.617 3.937 -6.375 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.745 1.956 -6.735 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.831 1.194 -5.590 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.235 2.484 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.942 1.483 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.639 1.186 -3.528 1.00 0.00 H new ATOM 651 N ASP A 42 3.390 4.546 -8.954 1.00 0.00 N ATOM 652 CA ASP A 42 2.219 5.173 -9.556 1.00 0.00 C ATOM 653 C ASP A 42 1.938 4.591 -10.938 1.00 0.00 C ATOM 654 O ASP A 42 0.795 4.272 -11.267 1.00 0.00 O ATOM 655 CB ASP A 42 2.423 6.686 -9.659 1.00 0.00 C ATOM 656 CG ASP A 42 1.976 7.416 -8.408 1.00 0.00 C ATOM 657 OD1 ASP A 42 2.275 6.929 -7.298 1.00 0.00 O ATOM 658 OD2 ASP A 42 1.327 8.475 -8.539 1.00 0.00 O ATOM 0 H ASP A 42 4.130 5.198 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 42 1.360 4.970 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.477 6.896 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.868 7.067 -10.516 1.00 0.00 H new ATOM 663 N GLU A 43 2.988 4.453 -11.741 1.00 0.00 N ATOM 664 CA GLU A 43 2.854 3.906 -13.087 1.00 0.00 C ATOM 665 C GLU A 43 2.278 2.496 -13.042 1.00 0.00 C ATOM 666 O GLU A 43 1.561 2.076 -13.952 1.00 0.00 O ATOM 667 CB GLU A 43 4.211 3.894 -13.793 1.00 0.00 C ATOM 668 CG GLU A 43 4.724 5.280 -14.149 1.00 0.00 C ATOM 669 CD GLU A 43 6.229 5.399 -14.003 1.00 0.00 C ATOM 670 OE1 GLU A 43 6.913 4.357 -14.046 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.722 6.537 -13.846 1.00 0.00 O ATOM 0 H GLU A 43 3.940 4.712 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 43 2.169 4.543 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.940 3.399 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.132 3.300 -14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.442 5.515 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.241 6.018 -13.509 1.00 0.00 H new ATOM 678 N VAL A 44 2.595 1.767 -11.976 1.00 0.00 N ATOM 679 CA VAL A 44 2.108 0.404 -11.808 1.00 0.00 C ATOM 680 C VAL A 44 0.648 0.395 -11.364 1.00 0.00 C ATOM 681 O VAL A 44 -0.175 -0.337 -11.913 1.00 0.00 O ATOM 682 CB VAL A 44 2.952 -0.370 -10.777 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.499 -1.820 -10.691 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.430 -0.283 -11.127 1.00 0.00 C ATOM 0 H VAL A 44 3.188 2.099 -11.215 1.00 0.00 H new ATOM 0 HA VAL A 44 2.194 -0.086 -12.778 1.00 0.00 H new ATOM 0 HB VAL A 44 2.806 0.087 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.108 -2.349 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.453 -1.857 -10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.612 -2.295 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.012 -0.835 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.596 -0.713 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.743 0.761 -11.128 1.00 0.00 H new ATOM 694 N LEU A 45 0.336 1.213 -10.363 1.00 0.00 N ATOM 695 CA LEU A 45 -1.023 1.303 -9.835 1.00 0.00 C ATOM 696 C LEU A 45 -2.040 1.528 -10.952 1.00 0.00 C ATOM 697 O LEU A 45 -3.208 1.163 -10.823 1.00 0.00 O ATOM 698 CB LEU A 45 -1.117 2.436 -8.811 1.00 0.00 C ATOM 699 CG LEU A 45 -0.292 2.230 -7.540 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.449 3.419 -6.604 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.701 0.942 -6.843 1.00 0.00 C ATOM 0 H LEU A 45 1.008 1.825 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.256 0.355 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.797 3.363 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.162 2.566 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 45 0.759 2.150 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.145 3.255 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.106 4.324 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.498 3.531 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.104 0.811 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.756 0.992 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.536 0.098 -7.513 1.00 0.00 H new ATOM 713 N TYR A 46 -1.590 2.134 -12.046 1.00 0.00 N ATOM 714 CA TYR A 46 -2.465 2.409 -13.181 1.00 0.00 C ATOM 715 C TYR A 46 -2.742 1.140 -13.981 1.00 0.00 C ATOM 716 O TYR A 46 -3.827 0.971 -14.538 1.00 0.00 O ATOM 717 CB TYR A 46 -1.838 3.469 -14.088 1.00 0.00 C ATOM 718 CG TYR A 46 -2.822 4.113 -15.038 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.191 3.479 -16.219 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.381 5.352 -14.756 1.00 0.00 C ATOM 721 CE1 TYR A 46 -4.091 4.065 -17.090 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.282 5.943 -15.622 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.633 5.296 -16.788 1.00 0.00 C ATOM 724 OH TYR A 46 -5.528 5.880 -17.654 1.00 0.00 O ATOM 0 H TYR A 46 -0.626 2.444 -12.171 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.412 2.783 -12.792 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.385 4.243 -13.469 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.035 3.012 -14.666 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.769 2.515 -16.460 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.107 5.863 -13.845 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.368 3.560 -18.004 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.709 6.907 -15.386 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.816 6.744 -17.293 1.00 0.00 H new ATOM 734 N SER A 47 -1.755 0.253 -14.037 1.00 0.00 N ATOM 735 CA SER A 47 -1.893 -1.000 -14.773 1.00 0.00 C ATOM 736 C SER A 47 -2.447 -2.107 -13.879 1.00 0.00 C ATOM 737 O SER A 47 -3.093 -3.039 -14.359 1.00 0.00 O ATOM 738 CB SER A 47 -0.542 -1.425 -15.352 1.00 0.00 C ATOM 739 OG SER A 47 -0.273 -0.749 -16.567 1.00 0.00 O ATOM 0 H SER A 47 -0.851 0.377 -13.582 1.00 0.00 H new ATOM 0 HA SER A 47 -2.597 -0.835 -15.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.248 -1.214 -14.632 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.538 -2.502 -15.523 1.00 0.00 H new ATOM 0 HG SER A 47 -0.165 -1.403 -17.288 1.00 0.00 H new ATOM 745 N ILE A 48 -2.187 -2.002 -12.580 1.00 0.00 N ATOM 746 CA ILE A 48 -2.659 -2.997 -11.625 1.00 0.00 C ATOM 747 C ILE A 48 -3.830 -2.465 -10.803 1.00 0.00 C ATOM 748 O ILE A 48 -4.042 -2.882 -9.665 1.00 0.00 O ATOM 749 CB ILE A 48 -1.532 -3.433 -10.668 1.00 0.00 C ATOM 750 CG1 ILE A 48 -1.001 -2.228 -9.886 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.409 -4.106 -11.443 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.760 -2.516 -8.420 1.00 0.00 C ATOM 0 H ILE A 48 -1.653 -1.239 -12.165 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.990 -3.858 -12.205 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.938 -4.153 -9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.068 -1.893 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.712 -1.406 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.379 -4.408 -10.753 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.798 -4.985 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.003 -3.408 -12.175 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.385 -1.618 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.695 -2.822 -7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.026 -3.316 -8.322 1.00 0.00 H new ATOM 764 N ALA A 49 -4.587 -1.542 -11.387 1.00 0.00 N ATOM 765 CA ALA A 49 -5.735 -0.954 -10.707 1.00 0.00 C ATOM 766 C ALA A 49 -6.993 -1.787 -10.931 1.00 0.00 C ATOM 767 O ALA A 49 -7.426 -2.524 -10.046 1.00 0.00 O ATOM 768 CB ALA A 49 -5.953 0.475 -11.181 1.00 0.00 C ATOM 0 H ALA A 49 -4.426 -1.185 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.526 -0.942 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.813 0.902 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.066 1.070 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.136 0.478 -12.256 1.00 0.00 H new ATOM 774 N GLU A 50 -7.577 -1.661 -12.119 1.00 0.00 N ATOM 775 CA GLU A 50 -8.789 -2.394 -12.465 1.00 0.00 C ATOM 776 C GLU A 50 -8.662 -3.876 -12.116 1.00 0.00 C ATOM 777 O GLU A 50 -9.658 -4.545 -11.836 1.00 0.00 O ATOM 778 CB GLU A 50 -9.095 -2.236 -13.955 1.00 0.00 C ATOM 779 CG GLU A 50 -9.939 -1.013 -14.275 1.00 0.00 C ATOM 780 CD GLU A 50 -10.206 -0.862 -15.760 1.00 0.00 C ATOM 781 OE1 GLU A 50 -10.869 -1.750 -16.337 1.00 0.00 O ATOM 782 OE2 GLU A 50 -9.755 0.144 -16.346 1.00 0.00 O ATOM 0 H GLU A 50 -7.228 -1.055 -12.861 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.609 -1.976 -11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.156 -2.174 -14.506 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.613 -3.128 -14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.888 -1.082 -13.744 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.433 -0.120 -13.908 1.00 0.00 H new ATOM 789 N LYS A 51 -7.433 -4.383 -12.138 1.00 0.00 N ATOM 790 CA LYS A 51 -7.179 -5.786 -11.827 1.00 0.00 C ATOM 791 C LYS A 51 -7.686 -6.139 -10.431 1.00 0.00 C ATOM 792 O LYS A 51 -8.627 -6.918 -10.282 1.00 0.00 O ATOM 793 CB LYS A 51 -5.683 -6.087 -11.929 1.00 0.00 C ATOM 794 CG LYS A 51 -5.155 -6.075 -13.353 1.00 0.00 C ATOM 795 CD LYS A 51 -5.211 -7.459 -13.980 1.00 0.00 C ATOM 796 CE LYS A 51 -4.135 -7.635 -15.039 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.663 -7.396 -16.411 1.00 0.00 N ATOM 0 H LYS A 51 -6.598 -3.844 -12.368 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.718 -6.395 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.133 -5.353 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.487 -7.063 -11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.740 -5.379 -13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.127 -5.714 -13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.088 -8.216 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.192 -7.618 -14.427 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.314 -6.946 -14.841 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.726 -8.644 -14.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.899 -7.526 -17.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.430 -8.070 -16.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.030 -6.425 -16.478 1.00 0.00 H new ATOM 811 N VAL A 52 -7.054 -5.564 -9.414 1.00 0.00 N ATOM 812 CA VAL A 52 -7.439 -5.822 -8.031 1.00 0.00 C ATOM 813 C VAL A 52 -8.589 -4.918 -7.586 1.00 0.00 C ATOM 814 O VAL A 52 -9.028 -4.980 -6.438 1.00 0.00 O ATOM 815 CB VAL A 52 -6.250 -5.624 -7.072 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.248 -6.757 -7.222 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.585 -4.278 -7.317 1.00 0.00 C ATOM 0 H VAL A 52 -6.273 -4.916 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.768 -6.861 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.626 -5.637 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.415 -6.599 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.734 -7.705 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.875 -6.780 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.747 -4.156 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.222 -4.233 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.308 -3.479 -7.153 1.00 0.00 H new ATOM 827 N LYS A 53 -9.073 -4.076 -8.498 1.00 0.00 N ATOM 828 CA LYS A 53 -10.167 -3.161 -8.193 1.00 0.00 C ATOM 829 C LYS A 53 -11.332 -3.889 -7.525 1.00 0.00 C ATOM 830 O LYS A 53 -12.073 -3.301 -6.737 1.00 0.00 O ATOM 831 CB LYS A 53 -10.649 -2.469 -9.469 1.00 0.00 C ATOM 832 CG LYS A 53 -11.770 -1.469 -9.234 1.00 0.00 C ATOM 833 CD LYS A 53 -11.842 -0.441 -10.351 1.00 0.00 C ATOM 834 CE LYS A 53 -10.642 0.491 -10.329 1.00 0.00 C ATOM 835 NZ LYS A 53 -10.363 1.004 -8.959 1.00 0.00 N ATOM 0 H LYS A 53 -8.723 -4.010 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.790 -2.412 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.807 -1.956 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.991 -3.225 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.721 -1.997 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.614 -0.963 -8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.890 -0.951 -11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.758 0.141 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.765 -0.037 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.821 1.330 -11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.743 1.837 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.257 1.270 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.893 0.263 -8.400 1.00 0.00 H new ATOM 849 N ASN A 54 -11.490 -5.169 -7.845 1.00 0.00 N ATOM 850 CA ASN A 54 -12.566 -5.972 -7.277 1.00 0.00 C ATOM 851 C ASN A 54 -12.032 -6.936 -6.221 1.00 0.00 C ATOM 852 O ASN A 54 -12.573 -8.025 -6.031 1.00 0.00 O ATOM 853 CB ASN A 54 -13.285 -6.752 -8.379 1.00 0.00 C ATOM 854 CG ASN A 54 -14.779 -6.850 -8.139 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.235 -6.868 -6.995 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.550 -6.913 -9.218 1.00 0.00 N ATOM 0 H ASN A 54 -10.886 -5.672 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.274 -5.295 -6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.105 -6.268 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.864 -7.755 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.563 -6.979 -9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.129 -6.895 -10.147 1.00 0.00 H new ATOM 863 N PHE A 55 -10.969 -6.528 -5.537 1.00 0.00 N ATOM 864 CA PHE A 55 -10.362 -7.355 -4.500 1.00 0.00 C ATOM 865 C PHE A 55 -9.533 -6.507 -3.546 1.00 0.00 C ATOM 866 O PHE A 55 -9.915 -6.281 -2.398 1.00 0.00 O ATOM 867 CB PHE A 55 -9.487 -8.440 -5.129 1.00 0.00 C ATOM 868 CG PHE A 55 -10.270 -9.497 -5.856 1.00 0.00 C ATOM 869 CD1 PHE A 55 -11.219 -10.255 -5.189 1.00 0.00 C ATOM 870 CD2 PHE A 55 -10.057 -9.732 -7.204 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.941 -11.227 -5.854 1.00 0.00 C ATOM 872 CE2 PHE A 55 -10.775 -10.703 -7.874 1.00 0.00 C ATOM 873 CZ PHE A 55 -11.719 -11.452 -7.199 1.00 0.00 C ATOM 0 H PHE A 55 -10.509 -5.629 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.163 -7.829 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.789 -7.974 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.892 -8.913 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.396 -10.084 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.321 -9.149 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.678 -11.811 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.598 -10.877 -8.925 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.282 -12.211 -7.721 1.00 0.00 H new ATOM 883 N ALA A 56 -8.395 -6.040 -4.035 1.00 0.00 N ATOM 884 CA ALA A 56 -7.499 -5.210 -3.239 1.00 0.00 C ATOM 885 C ALA A 56 -7.567 -3.754 -3.682 1.00 0.00 C ATOM 886 O ALA A 56 -7.871 -3.461 -4.839 1.00 0.00 O ATOM 887 CB ALA A 56 -6.073 -5.729 -3.337 1.00 0.00 C ATOM 0 H ALA A 56 -8.067 -6.222 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.820 -5.262 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.415 -5.100 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.032 -6.753 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.748 -5.707 -4.377 1.00 0.00 H new ATOM 893 N VAL A 57 -7.281 -2.842 -2.760 1.00 0.00 N ATOM 894 CA VAL A 57 -7.308 -1.417 -3.061 1.00 0.00 C ATOM 895 C VAL A 57 -6.001 -0.748 -2.649 1.00 0.00 C ATOM 896 O VAL A 57 -5.050 -1.421 -2.253 1.00 0.00 O ATOM 897 CB VAL A 57 -8.487 -0.715 -2.356 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.811 -1.301 -2.821 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.351 -0.826 -0.845 1.00 0.00 C ATOM 0 H VAL A 57 -7.028 -3.065 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.437 -1.319 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.467 0.342 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.632 -0.794 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.911 -1.165 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.841 -2.365 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.192 -0.325 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.343 -1.877 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.420 -0.356 -0.528 1.00 0.00 H new ATOM 909 N ILE A 58 -5.957 0.577 -2.744 1.00 0.00 N ATOM 910 CA ILE A 58 -4.763 1.326 -2.379 1.00 0.00 C ATOM 911 C ILE A 58 -5.074 2.809 -2.203 1.00 0.00 C ATOM 912 O ILE A 58 -6.079 3.306 -2.713 1.00 0.00 O ATOM 913 CB ILE A 58 -3.653 1.161 -3.438 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.363 1.837 -2.969 1.00 0.00 C ATOM 915 CG2 ILE A 58 -4.102 1.732 -4.775 1.00 0.00 C ATOM 916 CD1 ILE A 58 -1.141 1.421 -3.759 1.00 0.00 C ATOM 0 H ILE A 58 -6.734 1.152 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.411 0.921 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.456 0.097 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.482 2.918 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.202 1.604 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.307 1.607 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.995 1.206 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.327 2.792 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.264 1.939 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.997 0.345 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.281 1.679 -4.809 1.00 0.00 H new ATOM 928 N TYR A 59 -4.201 3.512 -1.486 1.00 0.00 N ATOM 929 CA TYR A 59 -4.369 4.927 -1.248 1.00 0.00 C ATOM 930 C TYR A 59 -3.042 5.577 -0.868 1.00 0.00 C ATOM 931 O TYR A 59 -2.287 5.041 -0.057 1.00 0.00 O ATOM 932 CB TYR A 59 -5.406 5.178 -0.151 1.00 0.00 C ATOM 933 CG TYR A 59 -6.751 4.544 -0.423 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.736 5.232 -1.121 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.037 3.259 0.019 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.967 4.656 -1.372 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.266 2.676 -0.228 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.227 3.378 -0.923 1.00 0.00 C ATOM 939 OH TYR A 59 -10.452 2.802 -1.171 1.00 0.00 O ATOM 0 H TYR A 59 -3.365 3.112 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.726 5.377 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.020 4.797 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.540 6.253 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.536 6.233 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.287 2.706 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.722 5.204 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.472 1.675 0.122 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.473 1.900 -0.789 1.00 0.00 H new ATOM 949 N LEU A 60 -2.766 6.733 -1.461 1.00 0.00 N ATOM 950 CA LEU A 60 -1.530 7.458 -1.187 1.00 0.00 C ATOM 951 C LEU A 60 -1.664 8.302 0.076 1.00 0.00 C ATOM 952 O LEU A 60 -2.740 8.816 0.379 1.00 0.00 O ATOM 953 CB LEU A 60 -1.162 8.350 -2.375 1.00 0.00 C ATOM 954 CG LEU A 60 -1.446 7.746 -3.752 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.982 8.688 -4.853 1.00 0.00 C ATOM 956 CD2 LEU A 60 -0.771 6.389 -3.886 1.00 0.00 C ATOM 0 H LEU A 60 -3.381 7.189 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.736 6.727 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.708 9.289 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.101 8.592 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.522 7.605 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.192 8.242 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.511 9.637 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.090 8.860 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.983 5.973 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.306 6.505 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.152 5.716 -3.118 1.00 0.00 H new ATOM 968 N VAL A 61 -0.564 8.438 0.809 1.00 0.00 N ATOM 969 CA VAL A 61 -0.559 9.220 2.040 1.00 0.00 C ATOM 970 C VAL A 61 0.429 10.378 1.951 1.00 0.00 C ATOM 971 O VAL A 61 1.588 10.191 1.579 1.00 0.00 O ATOM 972 CB VAL A 61 -0.201 8.350 3.261 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.488 9.099 4.554 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.959 7.029 3.220 1.00 0.00 C ATOM 0 H VAL A 61 0.335 8.017 0.572 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.568 9.613 2.167 1.00 0.00 H new ATOM 0 HB VAL A 61 0.866 8.130 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.229 8.469 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.106 10.012 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.547 9.353 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.692 6.429 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.031 7.224 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.696 6.487 2.312 1.00 0.00 H new ATOM 984 N ASP A 62 -0.037 11.575 2.294 1.00 0.00 N ATOM 985 CA ASP A 62 0.807 12.764 2.251 1.00 0.00 C ATOM 986 C ASP A 62 1.625 12.897 3.532 1.00 0.00 C ATOM 987 O ASP A 62 1.096 13.256 4.584 1.00 0.00 O ATOM 988 CB ASP A 62 -0.049 14.015 2.046 1.00 0.00 C ATOM 989 CG ASP A 62 -0.674 14.069 0.666 1.00 0.00 C ATOM 990 OD1 ASP A 62 -1.531 13.211 0.368 1.00 0.00 O ATOM 991 OD2 ASP A 62 -0.304 14.968 -0.118 1.00 0.00 O ATOM 0 H ASP A 62 -0.993 11.747 2.604 1.00 0.00 H new ATOM 0 HA ASP A 62 1.495 12.661 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.836 14.040 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.566 14.902 2.198 1.00 0.00 H new ATOM 996 N ILE A 63 2.918 12.606 3.434 1.00 0.00 N ATOM 997 CA ILE A 63 3.810 12.694 4.584 1.00 0.00 C ATOM 998 C ILE A 63 4.167 14.144 4.898 1.00 0.00 C ATOM 999 O ILE A 63 4.482 14.482 6.039 1.00 0.00 O ATOM 1000 CB ILE A 63 5.108 11.897 4.351 1.00 0.00 C ATOM 1001 CG1 ILE A 63 4.784 10.486 3.857 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.933 11.841 5.627 1.00 0.00 C ATOM 1003 CD1 ILE A 63 4.036 9.647 4.871 1.00 0.00 C ATOM 0 H ILE A 63 3.371 12.307 2.570 1.00 0.00 H new ATOM 0 HA ILE A 63 3.274 12.264 5.431 1.00 0.00 H new ATOM 0 HB ILE A 63 5.695 12.404 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.189 10.556 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.713 9.980 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.846 11.275 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.190 12.853 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.355 11.355 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.840 8.660 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.638 9.546 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.091 10.131 5.117 1.00 0.00 H new ATOM 1015 N THR A 64 4.115 14.997 3.879 1.00 0.00 N ATOM 1016 CA THR A 64 4.431 16.409 4.049 1.00 0.00 C ATOM 1017 C THR A 64 3.204 17.189 4.505 1.00 0.00 C ATOM 1018 O THR A 64 3.308 18.125 5.298 1.00 0.00 O ATOM 1019 CB THR A 64 4.965 16.995 2.742 1.00 0.00 C ATOM 1020 OG1 THR A 64 6.094 16.268 2.290 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.372 18.448 2.858 1.00 0.00 C ATOM 0 H THR A 64 3.857 14.734 2.928 1.00 0.00 H new ATOM 0 HA THR A 64 5.200 16.493 4.817 1.00 0.00 H new ATOM 0 HB THR A 64 4.138 16.922 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.420 16.657 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.742 18.800 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.510 19.045 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.158 18.547 3.606 1.00 0.00 H new ATOM 1029 N GLU A 65 2.040 16.798 3.997 1.00 0.00 N ATOM 1030 CA GLU A 65 0.791 17.460 4.350 1.00 0.00 C ATOM 1031 C GLU A 65 0.319 17.028 5.734 1.00 0.00 C ATOM 1032 O GLU A 65 -0.241 17.824 6.487 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.288 17.149 3.311 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.527 18.019 3.441 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.167 18.326 2.101 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -2.452 17.371 1.348 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.384 19.520 1.805 1.00 0.00 O ATOM 0 H GLU A 65 1.936 16.025 3.339 1.00 0.00 H new ATOM 0 HA GLU A 65 0.971 18.535 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.132 17.277 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.578 16.102 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.254 17.517 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.260 18.953 3.935 1.00 0.00 H new ATOM 1044 N VAL A 66 0.551 15.761 6.063 1.00 0.00 N ATOM 1045 CA VAL A 66 0.152 15.219 7.357 1.00 0.00 C ATOM 1046 C VAL A 66 1.265 15.385 8.391 1.00 0.00 C ATOM 1047 O VAL A 66 2.272 14.678 8.346 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.213 13.727 7.251 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -0.802 13.226 8.560 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.181 13.495 6.100 1.00 0.00 C ATOM 0 H VAL A 66 1.014 15.090 5.450 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.726 15.780 7.678 1.00 0.00 H new ATOM 0 HB VAL A 66 0.698 13.163 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.054 12.170 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.073 13.355 9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.702 13.794 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.428 12.435 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.091 14.071 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.718 13.813 5.166 1.00 0.00 H new ATOM 1060 N PRO A 67 1.104 16.326 9.341 1.00 0.00 N ATOM 1061 CA PRO A 67 2.106 16.572 10.382 1.00 0.00 C ATOM 1062 C PRO A 67 2.189 15.429 11.389 1.00 0.00 C ATOM 1063 O PRO A 67 1.632 15.510 12.484 1.00 0.00 O ATOM 1064 CB PRO A 67 1.606 17.849 11.064 1.00 0.00 C ATOM 1065 CG PRO A 67 0.136 17.852 10.824 1.00 0.00 C ATOM 1066 CD PRO A 67 -0.063 17.218 9.475 1.00 0.00 C ATOM 0 HA PRO A 67 3.110 16.660 9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.834 17.844 12.130 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.079 18.735 10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.387 17.293 11.599 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.260 18.867 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.000 16.664 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.092 17.964 8.681 1.00 0.00 H new ATOM 1074 N ASP A 68 2.888 14.363 11.010 1.00 0.00 N ATOM 1075 CA ASP A 68 3.045 13.204 11.881 1.00 0.00 C ATOM 1076 C ASP A 68 4.282 13.347 12.761 1.00 0.00 C ATOM 1077 O ASP A 68 4.178 13.645 13.951 1.00 0.00 O ATOM 1078 CB ASP A 68 3.140 11.924 11.046 1.00 0.00 C ATOM 1079 CG ASP A 68 1.830 11.163 11.003 1.00 0.00 C ATOM 1080 OD1 ASP A 68 1.492 10.504 12.009 1.00 0.00 O ATOM 1081 OD2 ASP A 68 1.139 11.228 9.964 1.00 0.00 O ATOM 0 H ASP A 68 3.354 14.278 10.107 1.00 0.00 H new ATOM 0 HA ASP A 68 2.170 13.144 12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.443 12.178 10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.917 11.281 11.459 1.00 0.00 H new ATOM 1086 N PHE A 69 5.453 13.133 12.169 1.00 0.00 N ATOM 1087 CA PHE A 69 6.710 13.238 12.900 1.00 0.00 C ATOM 1088 C PHE A 69 7.423 14.548 12.577 1.00 0.00 C ATOM 1089 O PHE A 69 8.648 14.637 12.668 1.00 0.00 O ATOM 1090 CB PHE A 69 7.618 12.054 12.565 1.00 0.00 C ATOM 1091 CG PHE A 69 8.430 11.569 13.733 1.00 0.00 C ATOM 1092 CD1 PHE A 69 9.633 12.176 14.056 1.00 0.00 C ATOM 1093 CD2 PHE A 69 7.989 10.508 14.507 1.00 0.00 C ATOM 1094 CE1 PHE A 69 10.381 11.733 15.130 1.00 0.00 C ATOM 1095 CE2 PHE A 69 8.733 10.060 15.581 1.00 0.00 C ATOM 1096 CZ PHE A 69 9.932 10.674 15.894 1.00 0.00 C ATOM 0 H PHE A 69 5.557 12.886 11.185 1.00 0.00 H new ATOM 0 HA PHE A 69 6.483 13.224 13.966 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.007 11.232 12.192 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.293 12.341 11.758 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.990 13.004 13.462 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.053 10.026 14.268 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.317 12.215 15.372 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.379 9.231 16.176 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.516 10.326 16.734 1.00 0.00 H new ATOM 1106 N ASN A 70 6.651 15.563 12.202 1.00 0.00 N ATOM 1107 CA ASN A 70 7.210 16.868 11.868 1.00 0.00 C ATOM 1108 C ASN A 70 8.232 16.754 10.741 1.00 0.00 C ATOM 1109 O ASN A 70 8.497 15.664 10.236 1.00 0.00 O ATOM 1110 CB ASN A 70 7.863 17.497 13.101 1.00 0.00 C ATOM 1111 CG ASN A 70 7.652 18.997 13.164 1.00 0.00 C ATOM 1112 OD1 ASN A 70 6.528 19.471 13.330 1.00 0.00 O ATOM 1113 ND2 ASN A 70 8.735 19.752 13.032 1.00 0.00 N ATOM 0 H ASN A 70 5.636 15.507 12.122 1.00 0.00 H new ATOM 0 HA ASN A 70 6.394 17.507 11.530 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.453 17.037 14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.932 17.283 13.092 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.655 20.768 13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.647 19.316 12.896 1.00 0.00 H new ATOM 1120 N LYS A 71 8.805 17.889 10.352 1.00 0.00 N ATOM 1121 CA LYS A 71 9.799 17.920 9.285 1.00 0.00 C ATOM 1122 C LYS A 71 11.007 17.046 9.621 1.00 0.00 C ATOM 1123 O LYS A 71 11.789 16.692 8.739 1.00 0.00 O ATOM 1124 CB LYS A 71 10.253 19.357 9.028 1.00 0.00 C ATOM 1125 CG LYS A 71 9.401 20.092 8.007 1.00 0.00 C ATOM 1126 CD LYS A 71 8.039 20.453 8.576 1.00 0.00 C ATOM 1127 CE LYS A 71 7.426 21.638 7.847 1.00 0.00 C ATOM 1128 NZ LYS A 71 6.563 21.206 6.713 1.00 0.00 N ATOM 0 H LYS A 71 8.597 18.800 10.760 1.00 0.00 H new ATOM 0 HA LYS A 71 9.332 17.521 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.235 19.908 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.288 19.346 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.915 20.998 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.273 19.469 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.373 19.594 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.137 20.688 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.836 22.230 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.220 22.285 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.682 21.758 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.065 21.362 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.339 20.195 6.813 1.00 0.00 H new ATOM 1142 N MET A 72 11.159 16.705 10.901 1.00 0.00 N ATOM 1143 CA MET A 72 12.276 15.877 11.351 1.00 0.00 C ATOM 1144 C MET A 72 12.486 14.671 10.435 1.00 0.00 C ATOM 1145 O MET A 72 13.358 14.686 9.567 1.00 0.00 O ATOM 1146 CB MET A 72 12.043 15.408 12.788 1.00 0.00 C ATOM 1147 CG MET A 72 12.449 16.432 13.835 1.00 0.00 C ATOM 1148 SD MET A 72 12.985 15.671 15.380 1.00 0.00 S ATOM 1149 CE MET A 72 14.538 16.521 15.655 1.00 0.00 C ATOM 0 H MET A 72 10.521 16.990 11.644 1.00 0.00 H new ATOM 0 HA MET A 72 13.177 16.489 11.313 1.00 0.00 H new ATOM 0 HB2 MET A 72 10.988 15.168 12.917 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.602 14.487 12.956 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.255 17.050 13.440 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.607 17.096 14.034 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.993 16.158 16.577 1.00 0.00 H new ATOM 0 HE2 MET A 72 15.210 16.330 14.819 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.357 17.593 15.737 1.00 0.00 H new ATOM 1159 N TYR A 73 11.683 13.632 10.632 1.00 0.00 N ATOM 1160 CA TYR A 73 11.788 12.423 9.823 1.00 0.00 C ATOM 1161 C TYR A 73 10.617 12.312 8.854 1.00 0.00 C ATOM 1162 O TYR A 73 10.736 11.707 7.788 1.00 0.00 O ATOM 1163 CB TYR A 73 11.839 11.187 10.722 1.00 0.00 C ATOM 1164 CG TYR A 73 12.753 10.099 10.204 1.00 0.00 C ATOM 1165 CD1 TYR A 73 14.098 10.071 10.552 1.00 0.00 C ATOM 1166 CD2 TYR A 73 12.271 9.100 9.367 1.00 0.00 C ATOM 1167 CE1 TYR A 73 14.937 9.079 10.080 1.00 0.00 C ATOM 1168 CE2 TYR A 73 13.103 8.104 8.892 1.00 0.00 C ATOM 1169 CZ TYR A 73 14.434 8.098 9.251 1.00 0.00 C ATOM 1170 OH TYR A 73 15.266 7.109 8.780 1.00 0.00 O ATOM 0 H TYR A 73 10.953 13.602 11.344 1.00 0.00 H new ATOM 0 HA TYR A 73 12.710 12.483 9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.170 11.485 11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.832 10.784 10.829 1.00 0.00 H new ATOM 0 HD1 TYR A 73 14.494 10.837 11.202 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.229 9.102 9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.980 9.072 10.359 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.712 7.334 8.243 1.00 0.00 H new ATOM 0 HH TYR A 73 14.756 6.496 8.210 1.00 0.00 H new ATOM 1180 N GLU A 74 9.483 12.895 9.231 1.00 0.00 N ATOM 1181 CA GLU A 74 8.291 12.856 8.400 1.00 0.00 C ATOM 1182 C GLU A 74 8.566 13.424 7.013 1.00 0.00 C ATOM 1183 O GLU A 74 8.543 12.703 6.016 1.00 0.00 O ATOM 1184 CB GLU A 74 7.149 13.628 9.064 1.00 0.00 C ATOM 1185 CG GLU A 74 5.772 13.067 8.748 1.00 0.00 C ATOM 1186 CD GLU A 74 5.651 11.594 9.086 1.00 0.00 C ATOM 1187 OE1 GLU A 74 6.463 11.101 9.897 1.00 0.00 O ATOM 1188 OE2 GLU A 74 4.743 10.932 8.541 1.00 0.00 O ATOM 0 H GLU A 74 9.368 13.400 10.109 1.00 0.00 H new ATOM 0 HA GLU A 74 7.998 11.812 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.296 13.621 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.191 14.669 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.020 13.627 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.559 13.212 7.689 1.00 0.00 H new ATOM 1195 N LEU A 75 8.825 14.722 6.964 1.00 0.00 N ATOM 1196 CA LEU A 75 9.106 15.401 5.705 1.00 0.00 C ATOM 1197 C LEU A 75 10.449 14.960 5.133 1.00 0.00 C ATOM 1198 O LEU A 75 11.322 14.490 5.863 1.00 0.00 O ATOM 1199 CB LEU A 75 9.099 16.918 5.908 1.00 0.00 C ATOM 1200 CG LEU A 75 8.767 17.737 4.660 1.00 0.00 C ATOM 1201 CD1 LEU A 75 7.943 18.962 5.030 1.00 0.00 C ATOM 1202 CD2 LEU A 75 10.042 18.148 3.938 1.00 0.00 C ATOM 0 H LEU A 75 8.847 15.329 7.783 1.00 0.00 H new ATOM 0 HA LEU A 75 8.325 15.131 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.376 17.162 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.078 17.225 6.275 1.00 0.00 H new ATOM 0 HG LEU A 75 8.176 17.116 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.716 19.533 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.013 18.646 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.509 19.586 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.787 18.730 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.659 18.752 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.595 17.257 3.640 1.00 0.00 H new ATOM 1214 N TYR A 76 10.609 15.116 3.822 1.00 0.00 N ATOM 1215 CA TYR A 76 11.845 14.736 3.149 1.00 0.00 C ATOM 1216 C TYR A 76 12.087 13.233 3.254 1.00 0.00 C ATOM 1217 O TYR A 76 13.231 12.779 3.282 1.00 0.00 O ATOM 1218 CB TYR A 76 13.032 15.497 3.745 1.00 0.00 C ATOM 1219 CG TYR A 76 14.129 15.787 2.746 1.00 0.00 C ATOM 1220 CD1 TYR A 76 14.102 16.940 1.971 1.00 0.00 C ATOM 1221 CD2 TYR A 76 15.191 14.907 2.577 1.00 0.00 C ATOM 1222 CE1 TYR A 76 15.103 17.209 1.057 1.00 0.00 C ATOM 1223 CE2 TYR A 76 16.196 15.169 1.664 1.00 0.00 C ATOM 1224 CZ TYR A 76 16.148 16.321 0.908 1.00 0.00 C ATOM 1225 OH TYR A 76 17.146 16.584 -0.002 1.00 0.00 O ATOM 0 H TYR A 76 9.896 15.504 3.204 1.00 0.00 H new ATOM 0 HA TYR A 76 11.746 14.996 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 76 12.676 16.438 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.447 14.918 4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.285 17.637 2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 76 15.232 14.004 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.067 18.110 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 76 17.014 14.475 1.544 1.00 0.00 H new ATOM 0 HH TYR A 76 17.806 15.860 0.018 1.00 0.00 H new ATOM 1235 N ASP A 77 11.002 12.466 3.310 1.00 0.00 N ATOM 1236 CA ASP A 77 11.100 11.014 3.410 1.00 0.00 C ATOM 1237 C ASP A 77 11.130 10.375 2.021 1.00 0.00 C ATOM 1238 O ASP A 77 10.432 10.820 1.111 1.00 0.00 O ATOM 1239 CB ASP A 77 9.924 10.458 4.218 1.00 0.00 C ATOM 1240 CG ASP A 77 10.368 9.814 5.517 1.00 0.00 C ATOM 1241 OD1 ASP A 77 11.473 10.145 5.997 1.00 0.00 O ATOM 1242 OD2 ASP A 77 9.610 8.981 6.056 1.00 0.00 O ATOM 0 H ASP A 77 10.047 12.825 3.288 1.00 0.00 H new ATOM 0 HA ASP A 77 12.030 10.769 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.223 11.264 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.388 9.724 3.616 1.00 0.00 H new ATOM 1247 N PRO A 78 11.944 9.319 1.839 1.00 0.00 N ATOM 1248 CA PRO A 78 12.058 8.626 0.553 1.00 0.00 C ATOM 1249 C PRO A 78 10.726 8.043 0.090 1.00 0.00 C ATOM 1250 O PRO A 78 10.099 8.561 -0.834 1.00 0.00 O ATOM 1251 CB PRO A 78 13.072 7.505 0.823 1.00 0.00 C ATOM 1252 CG PRO A 78 13.120 7.364 2.307 1.00 0.00 C ATOM 1253 CD PRO A 78 12.813 8.722 2.867 1.00 0.00 C ATOM 0 HA PRO A 78 12.366 9.304 -0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.763 6.573 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.053 7.757 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.394 6.628 2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.102 7.021 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.310 8.656 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.719 9.309 3.020 1.00 0.00 H new ATOM 1261 N CYS A 79 10.297 6.962 0.737 1.00 0.00 N ATOM 1262 CA CYS A 79 9.039 6.311 0.391 1.00 0.00 C ATOM 1263 C CYS A 79 8.782 5.111 1.297 1.00 0.00 C ATOM 1264 O CYS A 79 9.669 4.676 2.033 1.00 0.00 O ATOM 1265 CB CYS A 79 9.054 5.868 -1.074 1.00 0.00 C ATOM 1266 SG CYS A 79 8.080 6.922 -2.174 1.00 0.00 S ATOM 0 H CYS A 79 10.803 6.519 1.504 1.00 0.00 H new ATOM 0 HA CYS A 79 8.234 7.031 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.085 5.849 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.676 4.848 -1.138 1.00 0.00 H new ATOM 0 HG CYS A 79 8.485 8.153 -2.067 1.00 0.00 H new ATOM 1272 N THR A 80 7.566 4.580 1.238 1.00 0.00 N ATOM 1273 CA THR A 80 7.194 3.429 2.054 1.00 0.00 C ATOM 1274 C THR A 80 5.900 2.799 1.547 1.00 0.00 C ATOM 1275 O THR A 80 4.932 3.498 1.247 1.00 0.00 O ATOM 1276 CB THR A 80 7.034 3.845 3.518 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.263 4.316 4.042 1.00 0.00 O ATOM 1278 CG2 THR A 80 6.554 2.722 4.414 1.00 0.00 C ATOM 0 H THR A 80 6.821 4.928 0.634 1.00 0.00 H new ATOM 0 HA THR A 80 7.991 2.689 1.980 1.00 0.00 H new ATOM 0 HB THR A 80 6.278 4.630 3.512 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.996 4.043 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.463 3.087 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.583 2.369 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.270 1.901 4.384 1.00 0.00 H new ATOM 1286 N VAL A 81 5.890 1.473 1.454 1.00 0.00 N ATOM 1287 CA VAL A 81 4.718 0.748 0.985 1.00 0.00 C ATOM 1288 C VAL A 81 4.307 -0.331 1.983 1.00 0.00 C ATOM 1289 O VAL A 81 5.147 -1.076 2.488 1.00 0.00 O ATOM 1290 CB VAL A 81 4.981 0.096 -0.384 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.728 -0.596 -0.902 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.475 1.132 -1.381 1.00 0.00 C ATOM 0 H VAL A 81 6.683 0.879 1.698 1.00 0.00 H new ATOM 0 HA VAL A 81 3.909 1.472 0.886 1.00 0.00 H new ATOM 0 HB VAL A 81 5.757 -0.659 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.937 -1.050 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.422 -1.369 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.927 0.135 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.656 0.653 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.722 1.911 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.402 1.575 -1.016 1.00 0.00 H new ATOM 1302 N MET A 82 3.010 -0.411 2.263 1.00 0.00 N ATOM 1303 CA MET A 82 2.489 -1.399 3.201 1.00 0.00 C ATOM 1304 C MET A 82 1.028 -1.718 2.901 1.00 0.00 C ATOM 1305 O MET A 82 0.255 -0.837 2.524 1.00 0.00 O ATOM 1306 CB MET A 82 2.628 -0.892 4.638 1.00 0.00 C ATOM 1307 CG MET A 82 3.910 -1.339 5.321 1.00 0.00 C ATOM 1308 SD MET A 82 4.705 -0.011 6.247 1.00 0.00 S ATOM 1309 CE MET A 82 3.714 0.001 7.739 1.00 0.00 C ATOM 0 H MET A 82 2.300 0.197 1.854 1.00 0.00 H new ATOM 0 HA MET A 82 3.072 -2.313 3.087 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.589 0.197 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.775 -1.240 5.221 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.688 -2.165 5.997 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.603 -1.719 4.571 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.083 0.772 8.415 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.675 0.209 7.484 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.780 -0.971 8.228 1.00 0.00 H new ATOM 1319 N PHE A 83 0.654 -2.983 3.070 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.717 -3.414 2.817 1.00 0.00 C ATOM 1321 C PHE A 83 -1.422 -3.778 4.121 1.00 0.00 C ATOM 1322 O PHE A 83 -0.802 -4.295 5.050 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.735 -4.603 1.849 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.364 -5.915 2.484 1.00 0.00 C ATOM 1325 CD1 PHE A 83 0.949 -6.188 2.830 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -1.332 -6.876 2.733 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.291 -7.394 3.411 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.996 -8.084 3.313 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.317 -8.343 3.653 1.00 0.00 C ATOM 0 H PHE A 83 1.280 -3.726 3.380 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.255 -2.584 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.731 -4.690 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.047 -4.401 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.715 -5.449 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.361 -6.678 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.319 -7.594 3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.759 -8.825 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.582 -9.286 4.107 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.721 -3.507 4.182 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.510 -3.805 5.370 1.00 0.00 C ATOM 1341 C PHE A 84 -4.631 -4.784 5.045 1.00 0.00 C ATOM 1342 O PHE A 84 -5.116 -4.837 3.913 1.00 0.00 O ATOM 1343 CB PHE A 84 -4.096 -2.518 5.955 1.00 0.00 C ATOM 1344 CG PHE A 84 -3.135 -1.761 6.825 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.903 -1.360 6.334 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.462 -1.451 8.135 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.016 -0.663 7.132 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.581 -0.754 8.939 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.355 -0.360 8.437 1.00 0.00 C ATOM 0 H PHE A 84 -3.250 -3.081 3.421 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.852 -4.264 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.420 -1.872 5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.984 -2.765 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.633 -1.595 5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.418 -1.758 8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.059 -0.355 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.850 -0.517 9.958 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.663 0.184 9.063 1.00 0.00 H new ATOM 1359 N PHE A 85 -5.037 -5.560 6.045 1.00 0.00 N ATOM 1360 CA PHE A 85 -6.101 -6.539 5.868 1.00 0.00 C ATOM 1361 C PHE A 85 -6.906 -6.706 7.154 1.00 0.00 C ATOM 1362 O PHE A 85 -6.340 -6.836 8.239 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.511 -7.884 5.445 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.285 -8.563 4.352 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.650 -8.767 4.475 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.647 -8.998 3.202 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.364 -9.394 3.471 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.356 -9.625 2.195 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.716 -9.823 2.330 1.00 0.00 C ATOM 0 H PHE A 85 -4.645 -5.529 6.986 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.770 -6.178 5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.484 -7.732 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.470 -8.542 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.162 -8.432 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.584 -8.845 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.427 -9.548 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.847 -9.960 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.272 -10.313 1.544 1.00 0.00 H new ATOM 1379 N ARG A 86 -8.231 -6.706 7.019 1.00 0.00 N ATOM 1380 CA ARG A 86 -9.132 -6.860 8.162 1.00 0.00 C ATOM 1381 C ARG A 86 -8.663 -6.039 9.364 1.00 0.00 C ATOM 1382 O ARG A 86 -8.635 -6.532 10.492 1.00 0.00 O ATOM 1383 CB ARG A 86 -9.256 -8.338 8.548 1.00 0.00 C ATOM 1384 CG ARG A 86 -7.979 -8.938 9.117 1.00 0.00 C ATOM 1385 CD ARG A 86 -7.117 -9.556 8.028 1.00 0.00 C ATOM 1386 NE ARG A 86 -7.246 -11.010 7.985 1.00 0.00 N ATOM 1387 CZ ARG A 86 -6.850 -11.819 8.965 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -6.298 -11.320 10.065 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -7.004 -13.130 8.845 1.00 0.00 N ATOM 0 H ARG A 86 -8.708 -6.600 6.124 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.111 -6.485 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.054 -8.445 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.553 -8.909 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.412 -8.164 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.231 -9.698 9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.400 -9.139 7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.074 -9.290 8.197 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.664 -11.430 7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.176 -10.312 10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.996 -11.945 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.426 -13.519 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.701 -13.750 9.596 1.00 0.00 H new ATOM 1403 N ASN A 87 -8.299 -4.785 9.115 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.835 -3.899 10.177 1.00 0.00 C ATOM 1405 C ASN A 87 -6.540 -4.419 10.792 1.00 0.00 C ATOM 1406 O ASN A 87 -6.411 -4.510 12.013 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.909 -3.756 11.258 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.651 -2.578 12.178 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -9.090 -1.460 11.912 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -7.933 -2.825 13.268 1.00 0.00 N ATOM 0 H ASN A 87 -8.316 -4.360 8.188 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.640 -2.920 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.884 -3.637 10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.951 -4.672 11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.726 -2.072 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.589 -3.768 13.449 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.580 -4.758 9.936 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.294 -5.269 10.394 1.00 0.00 C ATOM 1419 C LYS A 88 -3.145 -4.596 9.649 1.00 0.00 C ATOM 1420 O LYS A 88 -3.190 -4.442 8.428 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.224 -6.785 10.201 1.00 0.00 C ATOM 1422 CG LYS A 88 -5.331 -7.541 10.919 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.913 -7.936 12.326 1.00 0.00 C ATOM 1424 CE LYS A 88 -4.072 -9.203 12.321 1.00 0.00 C ATOM 1425 NZ LYS A 88 -2.632 -8.913 12.079 1.00 0.00 N ATOM 0 H LYS A 88 -5.669 -4.688 8.922 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.199 -5.041 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.273 -7.010 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.259 -7.144 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.226 -6.921 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.591 -8.434 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.346 -7.123 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.800 -8.089 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.183 -9.716 13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.440 -9.880 11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.048 -9.609 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.433 -8.970 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.408 -7.957 12.422 1.00 0.00 H new ATOM 1439 N HIS A 89 -2.117 -4.199 10.391 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.956 -3.544 9.799 1.00 0.00 C ATOM 1441 C HIS A 89 0.037 -4.572 9.268 1.00 0.00 C ATOM 1442 O HIS A 89 0.642 -5.320 10.036 1.00 0.00 O ATOM 1443 CB HIS A 89 -0.272 -2.643 10.831 1.00 0.00 C ATOM 1444 CG HIS A 89 -1.191 -1.639 11.453 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -0.913 -0.289 11.496 1.00 0.00 N ATOM 1446 CD2 HIS A 89 -2.393 -1.793 12.059 1.00 0.00 C ATOM 1447 CE1 HIS A 89 -1.903 0.343 12.103 1.00 0.00 C ATOM 1448 NE2 HIS A 89 -2.812 -0.547 12.454 1.00 0.00 N ATOM 0 H HIS A 89 -2.064 -4.319 11.403 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.301 -2.934 8.964 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.158 -3.265 11.616 1.00 0.00 H new ATOM 0 HB3 HIS A 89 0.555 -2.119 10.352 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -2.923 -2.723 12.204 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.958 1.407 12.281 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.685 -0.342 12.940 1.00 0.00 H new ATOM 1457 N ILE A 90 0.200 -4.603 7.949 1.00 0.00 N ATOM 1458 CA ILE A 90 1.121 -5.540 7.315 1.00 0.00 C ATOM 1459 C ILE A 90 2.027 -4.826 6.319 1.00 0.00 C ATOM 1460 O ILE A 90 1.628 -3.841 5.697 1.00 0.00 O ATOM 1461 CB ILE A 90 0.370 -6.675 6.587 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.922 -7.033 7.326 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.265 -7.898 6.456 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.701 -7.435 8.768 1.00 0.00 C ATOM 0 H ILE A 90 -0.293 -3.991 7.299 1.00 0.00 H new ATOM 0 HA ILE A 90 1.725 -5.973 8.112 1.00 0.00 H new ATOM 0 HB ILE A 90 0.104 -6.327 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.598 -6.178 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.417 -7.850 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.724 -8.692 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.156 -7.637 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.557 -8.243 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.659 -7.675 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.051 -8.309 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.234 -6.611 9.308 1.00 0.00 H new ATOM 1476 N MET A 91 3.250 -5.327 6.173 1.00 0.00 N ATOM 1477 CA MET A 91 4.214 -4.733 5.251 1.00 0.00 C ATOM 1478 C MET A 91 4.461 -5.645 4.054 1.00 0.00 C ATOM 1479 O MET A 91 4.381 -6.868 4.165 1.00 0.00 O ATOM 1480 CB MET A 91 5.534 -4.452 5.973 1.00 0.00 C ATOM 1481 CG MET A 91 5.356 -3.822 7.345 1.00 0.00 C ATOM 1482 SD MET A 91 5.536 -5.013 8.686 1.00 0.00 S ATOM 1483 CE MET A 91 5.852 -3.921 10.070 1.00 0.00 C ATOM 0 H MET A 91 3.597 -6.141 6.680 1.00 0.00 H new ATOM 0 HA MET A 91 3.797 -3.794 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.086 -5.386 6.080 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.143 -3.791 5.355 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.088 -3.025 7.472 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.370 -3.361 7.404 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.986 -4.512 10.976 1.00 0.00 H new ATOM 0 HE2 MET A 91 6.755 -3.342 9.878 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.008 -3.244 10.199 1.00 0.00 H new ATOM 1493 N ILE A 92 4.762 -5.040 2.909 1.00 0.00 N ATOM 1494 CA ILE A 92 5.023 -5.796 1.690 1.00 0.00 C ATOM 1495 C ILE A 92 5.886 -4.992 0.721 1.00 0.00 C ATOM 1496 O ILE A 92 5.683 -3.792 0.544 1.00 0.00 O ATOM 1497 CB ILE A 92 3.712 -6.201 0.986 1.00 0.00 C ATOM 1498 CG1 ILE A 92 4.005 -7.112 -0.207 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.941 -4.967 0.540 1.00 0.00 C ATOM 1500 CD1 ILE A 92 4.735 -8.384 0.169 1.00 0.00 C ATOM 0 H ILE A 92 4.831 -4.028 2.800 1.00 0.00 H new ATOM 0 HA ILE A 92 5.558 -6.699 1.984 1.00 0.00 H new ATOM 0 HB ILE A 92 3.095 -6.752 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.065 -7.372 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.601 -6.563 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.019 -5.273 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.701 -4.354 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.550 -4.388 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.909 -8.981 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.690 -8.133 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.131 -8.955 0.874 1.00 0.00 H new ATOM 1512 N ASP A 93 6.848 -5.663 0.096 1.00 0.00 N ATOM 1513 CA ASP A 93 7.741 -5.011 -0.854 1.00 0.00 C ATOM 1514 C ASP A 93 7.088 -4.901 -2.228 1.00 0.00 C ATOM 1515 O ASP A 93 6.487 -5.856 -2.719 1.00 0.00 O ATOM 1516 CB ASP A 93 9.057 -5.784 -0.964 1.00 0.00 C ATOM 1517 CG ASP A 93 8.854 -7.201 -1.462 1.00 0.00 C ATOM 1518 OD1 ASP A 93 7.834 -7.821 -1.093 1.00 0.00 O ATOM 1519 OD2 ASP A 93 9.717 -7.692 -2.220 1.00 0.00 O ATOM 0 H ASP A 93 7.029 -6.658 0.231 1.00 0.00 H new ATOM 0 HA ASP A 93 7.947 -4.005 -0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.730 -5.257 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.542 -5.811 0.012 1.00 0.00 H new ATOM 1524 N LEU A 94 7.210 -3.729 -2.844 1.00 0.00 N ATOM 1525 CA LEU A 94 6.631 -3.494 -4.162 1.00 0.00 C ATOM 1526 C LEU A 94 7.212 -4.461 -5.190 1.00 0.00 C ATOM 1527 O LEU A 94 6.498 -4.962 -6.058 1.00 0.00 O ATOM 1528 CB LEU A 94 6.883 -2.051 -4.604 1.00 0.00 C ATOM 1529 CG LEU A 94 5.901 -1.022 -4.042 1.00 0.00 C ATOM 1530 CD1 LEU A 94 6.193 0.359 -4.611 1.00 0.00 C ATOM 1531 CD2 LEU A 94 4.467 -1.433 -4.345 1.00 0.00 C ATOM 0 H LEU A 94 7.704 -2.928 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 94 5.556 -3.663 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.893 -1.767 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.847 -2.009 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 94 6.025 -0.981 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.485 1.079 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.207 0.655 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.096 0.333 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.782 -0.690 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.329 -1.502 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.263 -2.402 -3.890 1.00 0.00 H new ATOM 1543 N GLY A 95 8.512 -4.717 -5.086 1.00 0.00 N ATOM 1544 CA GLY A 95 9.166 -5.621 -6.012 1.00 0.00 C ATOM 1545 C GLY A 95 10.101 -6.590 -5.314 1.00 0.00 C ATOM 1546 O GLY A 95 9.742 -7.741 -5.068 1.00 0.00 O ATOM 0 H GLY A 95 9.124 -4.314 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.410 -6.182 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.729 -5.042 -6.744 1.00 0.00 H new ATOM 1550 N THR A 96 11.303 -6.122 -4.995 1.00 0.00 N ATOM 1551 CA THR A 96 12.293 -6.954 -4.320 1.00 0.00 C ATOM 1552 C THR A 96 13.055 -6.152 -3.270 1.00 0.00 C ATOM 1553 O THR A 96 13.190 -4.934 -3.384 1.00 0.00 O ATOM 1554 CB THR A 96 13.271 -7.544 -5.337 1.00 0.00 C ATOM 1555 OG1 THR A 96 14.342 -8.201 -4.681 1.00 0.00 O ATOM 1556 CG2 THR A 96 13.868 -6.508 -6.265 1.00 0.00 C ATOM 0 H THR A 96 11.615 -5.171 -5.193 1.00 0.00 H new ATOM 0 HA THR A 96 11.767 -7.766 -3.818 1.00 0.00 H new ATOM 0 HB THR A 96 12.682 -8.244 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.956 -8.573 -5.348 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.552 -6.994 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.071 -6.017 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.411 -5.766 -5.680 1.00 0.00 H new ATOM 1564 N GLY A 97 13.549 -6.844 -2.249 1.00 0.00 N ATOM 1565 CA GLY A 97 14.291 -6.178 -1.194 1.00 0.00 C ATOM 1566 C GLY A 97 14.030 -6.784 0.171 1.00 0.00 C ATOM 1567 O GLY A 97 13.009 -6.502 0.797 1.00 0.00 O ATOM 0 H GLY A 97 13.449 -7.852 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.357 -6.232 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.022 -5.122 -1.176 1.00 0.00 H new ATOM 1571 N ASN A 98 14.953 -7.621 0.631 1.00 0.00 N ATOM 1572 CA ASN A 98 14.818 -8.269 1.930 1.00 0.00 C ATOM 1573 C ASN A 98 15.290 -7.349 3.051 1.00 0.00 C ATOM 1574 O ASN A 98 14.772 -7.397 4.167 1.00 0.00 O ATOM 1575 CB ASN A 98 15.615 -9.575 1.958 1.00 0.00 C ATOM 1576 CG ASN A 98 15.052 -10.616 1.011 1.00 0.00 C ATOM 1577 OD1 ASN A 98 14.219 -10.311 0.157 1.00 0.00 O ATOM 1578 ND2 ASN A 98 15.505 -11.856 1.157 1.00 0.00 N ATOM 0 H ASN A 98 15.803 -7.867 0.123 1.00 0.00 H new ATOM 0 HA ASN A 98 13.763 -8.491 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.652 -9.370 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.618 -9.974 2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.162 -12.599 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.196 -12.065 1.878 1.00 0.00 H new ATOM 1585 N ASN A 99 16.274 -6.510 2.745 1.00 0.00 N ATOM 1586 CA ASN A 99 16.817 -5.578 3.727 1.00 0.00 C ATOM 1587 C ASN A 99 16.370 -4.150 3.425 1.00 0.00 C ATOM 1588 O ASN A 99 15.967 -3.839 2.306 1.00 0.00 O ATOM 1589 CB ASN A 99 18.344 -5.654 3.744 1.00 0.00 C ATOM 1590 CG ASN A 99 18.851 -7.006 4.209 1.00 0.00 C ATOM 1591 OD1 ASN A 99 18.921 -7.956 3.430 1.00 0.00 O ATOM 1592 ND2 ASN A 99 19.207 -7.097 5.485 1.00 0.00 N ATOM 0 H ASN A 99 16.712 -6.456 1.825 1.00 0.00 H new ATOM 0 HA ASN A 99 16.436 -5.860 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 99 18.726 -5.450 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 99 18.736 -4.877 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.555 -7.981 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 99 19.132 -6.283 6.095 1.00 0.00 H new ATOM 1599 N ASN A 100 16.447 -3.287 4.434 1.00 0.00 N ATOM 1600 CA ASN A 100 16.051 -1.891 4.281 1.00 0.00 C ATOM 1601 C ASN A 100 14.564 -1.779 3.962 1.00 0.00 C ATOM 1602 O ASN A 100 14.043 -2.501 3.112 1.00 0.00 O ATOM 1603 CB ASN A 100 16.875 -1.223 3.177 1.00 0.00 C ATOM 1604 CG ASN A 100 18.106 -0.523 3.719 1.00 0.00 C ATOM 1605 OD1 ASN A 100 18.415 0.604 3.331 1.00 0.00 O ATOM 1606 ND2 ASN A 100 18.817 -1.189 4.621 1.00 0.00 N ATOM 0 H ASN A 100 16.780 -3.530 5.367 1.00 0.00 H new ATOM 0 HA ASN A 100 16.240 -1.380 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 100 17.179 -1.975 2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.252 -0.501 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.656 -0.768 5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.524 -2.121 4.914 1.00 0.00 H new ATOM 1613 N LYS A 101 13.883 -0.868 4.653 1.00 0.00 N ATOM 1614 CA LYS A 101 12.456 -0.657 4.452 1.00 0.00 C ATOM 1615 C LYS A 101 12.125 -0.490 2.971 1.00 0.00 C ATOM 1616 O LYS A 101 12.928 0.035 2.201 1.00 0.00 O ATOM 1617 CB LYS A 101 11.986 0.572 5.232 1.00 0.00 C ATOM 1618 CG LYS A 101 12.040 0.391 6.741 1.00 0.00 C ATOM 1619 CD LYS A 101 10.704 -0.080 7.293 1.00 0.00 C ATOM 1620 CE LYS A 101 9.906 1.074 7.879 1.00 0.00 C ATOM 1621 NZ LYS A 101 8.934 1.632 6.899 1.00 0.00 N ATOM 0 H LYS A 101 14.301 -0.263 5.360 1.00 0.00 H new ATOM 0 HA LYS A 101 11.933 -1.539 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.603 1.426 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.963 0.809 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.815 -0.332 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.318 1.334 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.128 -0.556 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.872 -0.835 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.372 0.732 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.588 1.860 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.410 2.416 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.445 1.981 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.266 0.889 6.610 1.00 0.00 H new ATOM 1635 N ILE A 102 10.937 -0.940 2.581 1.00 0.00 N ATOM 1636 CA ILE A 102 10.500 -0.840 1.194 1.00 0.00 C ATOM 1637 C ILE A 102 10.248 0.613 0.801 1.00 0.00 C ATOM 1638 O ILE A 102 9.102 1.035 0.643 1.00 0.00 O ATOM 1639 CB ILE A 102 9.218 -1.661 0.947 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.386 -3.087 1.477 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.876 -1.678 -0.536 1.00 0.00 C ATOM 1642 CD1 ILE A 102 8.169 -3.605 2.211 1.00 0.00 C ATOM 0 H ILE A 102 10.260 -1.377 3.206 1.00 0.00 H new ATOM 0 HA ILE A 102 11.303 -1.245 0.578 1.00 0.00 H new ATOM 0 HB ILE A 102 8.395 -1.189 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.608 -3.752 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.245 -3.118 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.969 -2.261 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.716 -0.658 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.698 -2.127 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.359 -4.620 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.959 -2.962 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.311 -3.606 1.538 1.00 0.00 H new ATOM 1654 N ASN A 103 11.326 1.373 0.647 1.00 0.00 N ATOM 1655 CA ASN A 103 11.222 2.778 0.272 1.00 0.00 C ATOM 1656 C ASN A 103 11.422 2.955 -1.229 1.00 0.00 C ATOM 1657 O ASN A 103 10.779 3.794 -1.858 1.00 0.00 O ATOM 1658 CB ASN A 103 12.251 3.612 1.038 1.00 0.00 C ATOM 1659 CG ASN A 103 13.646 3.020 0.962 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.198 2.844 -0.123 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.221 2.712 2.118 1.00 0.00 N ATOM 0 H ASN A 103 12.281 1.040 0.776 1.00 0.00 H new ATOM 0 HA ASN A 103 10.221 3.124 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.266 4.625 0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.948 3.689 2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.159 2.312 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.725 2.876 2.994 1.00 0.00 H new ATOM 1668 N TRP A 104 12.315 2.152 -1.795 1.00 0.00 N ATOM 1669 CA TRP A 104 12.602 2.213 -3.223 1.00 0.00 C ATOM 1670 C TRP A 104 11.838 1.126 -3.972 1.00 0.00 C ATOM 1671 O TRP A 104 11.637 0.028 -3.455 1.00 0.00 O ATOM 1672 CB TRP A 104 14.103 2.061 -3.471 1.00 0.00 C ATOM 1673 CG TRP A 104 14.832 3.370 -3.530 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.740 4.398 -2.637 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.760 3.791 -4.535 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.556 5.433 -3.025 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.193 5.085 -4.188 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.269 3.199 -5.695 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.110 5.796 -4.958 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.178 3.907 -6.459 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.591 5.193 -6.088 1.00 0.00 C ATOM 0 H TRP A 104 12.853 1.450 -1.287 1.00 0.00 H new ATOM 0 HA TRP A 104 12.279 3.185 -3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.534 1.449 -2.679 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.257 1.525 -4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.117 4.398 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.669 6.317 -2.528 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.958 2.207 -5.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.430 6.788 -4.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.577 3.461 -7.358 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.303 5.719 -6.706 1.00 0.00 H new ATOM 1692 N ALA A 105 11.412 1.439 -5.192 1.00 0.00 N ATOM 1693 CA ALA A 105 10.668 0.485 -6.005 1.00 0.00 C ATOM 1694 C ALA A 105 10.731 0.850 -7.484 1.00 0.00 C ATOM 1695 O ALA A 105 10.843 2.023 -7.841 1.00 0.00 O ATOM 1696 CB ALA A 105 9.222 0.411 -5.538 1.00 0.00 C ATOM 0 H ALA A 105 11.569 2.343 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 105 11.130 -0.495 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.677 -0.305 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.192 0.091 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.759 1.394 -5.629 1.00 0.00 H new ATOM 1702 N MET A 106 10.659 -0.165 -8.340 1.00 0.00 N ATOM 1703 CA MET A 106 10.707 0.041 -9.783 1.00 0.00 C ATOM 1704 C MET A 106 10.557 -1.286 -10.520 1.00 0.00 C ATOM 1705 O MET A 106 11.322 -1.592 -11.436 1.00 0.00 O ATOM 1706 CB MET A 106 12.019 0.718 -10.181 1.00 0.00 C ATOM 1707 CG MET A 106 13.256 -0.063 -9.767 1.00 0.00 C ATOM 1708 SD MET A 106 14.643 1.008 -9.341 1.00 0.00 S ATOM 1709 CE MET A 106 16.023 0.019 -9.914 1.00 0.00 C ATOM 0 H MET A 106 10.567 -1.141 -8.058 1.00 0.00 H new ATOM 0 HA MET A 106 9.877 0.690 -10.064 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.033 0.858 -11.262 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.058 1.710 -9.730 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.013 -0.694 -8.912 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.551 -0.727 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.956 0.549 -9.720 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.031 -0.935 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 106 15.923 -0.159 -10.985 1.00 0.00 H new ATOM 1719 N GLU A 107 9.568 -2.072 -10.111 1.00 0.00 N ATOM 1720 CA GLU A 107 9.315 -3.371 -10.726 1.00 0.00 C ATOM 1721 C GLU A 107 8.209 -3.288 -11.779 1.00 0.00 C ATOM 1722 O GLU A 107 7.779 -4.309 -12.317 1.00 0.00 O ATOM 1723 CB GLU A 107 8.935 -4.392 -9.653 1.00 0.00 C ATOM 1724 CG GLU A 107 10.085 -5.296 -9.240 1.00 0.00 C ATOM 1725 CD GLU A 107 11.263 -4.522 -8.680 1.00 0.00 C ATOM 1726 OE1 GLU A 107 11.032 -3.534 -7.952 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.416 -4.904 -8.971 1.00 0.00 O ATOM 0 H GLU A 107 8.927 -1.833 -9.355 1.00 0.00 H new ATOM 0 HA GLU A 107 10.231 -3.688 -11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.566 -3.863 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.115 -5.007 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.733 -6.007 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.413 -5.877 -10.102 1.00 0.00 H new ATOM 1734 N ASP A 108 7.751 -2.072 -12.069 1.00 0.00 N ATOM 1735 CA ASP A 108 6.698 -1.867 -13.057 1.00 0.00 C ATOM 1736 C ASP A 108 5.455 -2.684 -12.704 1.00 0.00 C ATOM 1737 O ASP A 108 5.289 -3.109 -11.561 1.00 0.00 O ATOM 1738 CB ASP A 108 7.201 -2.248 -14.452 1.00 0.00 C ATOM 1739 CG ASP A 108 8.584 -1.696 -14.741 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.847 -0.532 -14.373 1.00 0.00 O ATOM 1741 OD2 ASP A 108 9.403 -2.429 -15.335 1.00 0.00 O ATOM 0 H ASP A 108 8.093 -1.215 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 108 6.427 -0.811 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.220 -3.334 -14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.501 -1.877 -15.201 1.00 0.00 H new ATOM 1746 N LYS A 109 4.586 -2.898 -13.688 1.00 0.00 N ATOM 1747 CA LYS A 109 3.362 -3.662 -13.473 1.00 0.00 C ATOM 1748 C LYS A 109 3.600 -5.163 -13.645 1.00 0.00 C ATOM 1749 O LYS A 109 2.653 -5.946 -13.675 1.00 0.00 O ATOM 1750 CB LYS A 109 2.272 -3.195 -14.439 1.00 0.00 C ATOM 1751 CG LYS A 109 2.599 -3.464 -15.900 1.00 0.00 C ATOM 1752 CD LYS A 109 2.391 -2.225 -16.759 1.00 0.00 C ATOM 1753 CE LYS A 109 3.715 -1.586 -17.146 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.126 -1.955 -18.529 1.00 0.00 N ATOM 0 H LYS A 109 4.707 -2.554 -14.640 1.00 0.00 H new ATOM 0 HA LYS A 109 3.038 -3.487 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.336 -3.694 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.110 -2.126 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.633 -3.798 -15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.971 -4.274 -16.271 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.839 -2.494 -17.659 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.782 -1.502 -16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.631 -0.502 -17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.487 -1.897 -16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.033 -1.499 -18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.231 -2.988 -18.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.401 -1.636 -19.203 1.00 0.00 H new ATOM 1768 N GLN A 110 4.865 -5.561 -13.759 1.00 0.00 N ATOM 1769 CA GLN A 110 5.206 -6.969 -13.925 1.00 0.00 C ATOM 1770 C GLN A 110 5.420 -7.641 -12.573 1.00 0.00 C ATOM 1771 O GLN A 110 4.571 -8.399 -12.104 1.00 0.00 O ATOM 1772 CB GLN A 110 6.463 -7.114 -14.785 1.00 0.00 C ATOM 1773 CG GLN A 110 6.241 -6.773 -16.249 1.00 0.00 C ATOM 1774 CD GLN A 110 6.140 -8.006 -17.125 1.00 0.00 C ATOM 1775 OE1 GLN A 110 6.780 -9.024 -16.861 1.00 0.00 O ATOM 1776 NE2 GLN A 110 5.333 -7.921 -18.175 1.00 0.00 N ATOM 0 H GLN A 110 5.667 -4.931 -13.739 1.00 0.00 H new ATOM 0 HA GLN A 110 4.373 -7.461 -14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.244 -6.467 -14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 110 6.828 -8.138 -14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.328 -6.186 -16.347 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.061 -6.148 -16.601 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.821 -7.057 -18.356 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.224 -8.719 -18.801 1.00 0.00 H new ATOM 1785 N GLU A 111 6.560 -7.358 -11.948 1.00 0.00 N ATOM 1786 CA GLU A 111 6.879 -7.938 -10.649 1.00 0.00 C ATOM 1787 C GLU A 111 5.815 -7.572 -9.619 1.00 0.00 C ATOM 1788 O GLU A 111 5.531 -8.344 -8.704 1.00 0.00 O ATOM 1789 CB GLU A 111 8.256 -7.466 -10.178 1.00 0.00 C ATOM 1790 CG GLU A 111 9.211 -8.605 -9.855 1.00 0.00 C ATOM 1791 CD GLU A 111 10.163 -8.907 -10.995 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.525 -7.965 -11.732 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.547 -10.085 -11.151 1.00 0.00 O ATOM 0 H GLU A 111 7.275 -6.733 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 111 6.898 -9.023 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.700 -6.838 -10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.134 -6.843 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.785 -8.351 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.636 -9.501 -9.619 1.00 0.00 H new ATOM 1800 N MET A 112 5.225 -6.392 -9.780 1.00 0.00 N ATOM 1801 CA MET A 112 4.187 -5.928 -8.868 1.00 0.00 C ATOM 1802 C MET A 112 2.995 -6.878 -8.891 1.00 0.00 C ATOM 1803 O MET A 112 2.620 -7.446 -7.867 1.00 0.00 O ATOM 1804 CB MET A 112 3.739 -4.514 -9.248 1.00 0.00 C ATOM 1805 CG MET A 112 4.449 -3.421 -8.466 1.00 0.00 C ATOM 1806 SD MET A 112 3.308 -2.334 -7.588 1.00 0.00 S ATOM 1807 CE MET A 112 4.210 -0.788 -7.635 1.00 0.00 C ATOM 0 H MET A 112 5.448 -5.741 -10.533 1.00 0.00 H new ATOM 0 HA MET A 112 4.598 -5.908 -7.859 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.914 -4.360 -10.313 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.665 -4.426 -9.086 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.132 -3.878 -7.750 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.056 -2.827 -9.150 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.508 0.040 -7.733 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.782 -0.672 -6.714 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.890 -0.789 -8.487 1.00 0.00 H new ATOM 1817 N VAL A 113 2.409 -7.057 -10.072 1.00 0.00 N ATOM 1818 CA VAL A 113 1.267 -7.949 -10.232 1.00 0.00 C ATOM 1819 C VAL A 113 1.537 -9.301 -9.575 1.00 0.00 C ATOM 1820 O VAL A 113 0.644 -9.911 -8.989 1.00 0.00 O ATOM 1821 CB VAL A 113 0.937 -8.162 -11.724 1.00 0.00 C ATOM 1822 CG1 VAL A 113 -0.122 -9.242 -11.903 1.00 0.00 C ATOM 1823 CG2 VAL A 113 0.480 -6.856 -12.357 1.00 0.00 C ATOM 0 H VAL A 113 2.707 -6.596 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 113 0.414 -7.478 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 113 1.845 -8.496 -12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.335 -9.371 -12.964 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.243 -10.182 -11.490 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.034 -8.947 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.251 -7.022 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.412 -6.496 -11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.273 -6.113 -12.271 1.00 0.00 H new ATOM 1833 N ASP A 114 2.780 -9.758 -9.683 1.00 0.00 N ATOM 1834 CA ASP A 114 3.180 -11.035 -9.105 1.00 0.00 C ATOM 1835 C ASP A 114 3.194 -10.975 -7.579 1.00 0.00 C ATOM 1836 O ASP A 114 2.639 -11.848 -6.911 1.00 0.00 O ATOM 1837 CB ASP A 114 4.561 -11.439 -9.621 1.00 0.00 C ATOM 1838 CG ASP A 114 4.878 -12.896 -9.346 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.536 -13.748 -10.193 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.468 -13.185 -8.285 1.00 0.00 O ATOM 0 H ASP A 114 3.529 -9.262 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 114 2.447 -11.782 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.613 -11.255 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.319 -10.811 -9.153 1.00 0.00 H new ATOM 1845 N ILE A 115 3.834 -9.945 -7.029 1.00 0.00 N ATOM 1846 CA ILE A 115 3.920 -9.790 -5.581 1.00 0.00 C ATOM 1847 C ILE A 115 2.548 -9.524 -4.970 1.00 0.00 C ATOM 1848 O ILE A 115 2.170 -10.142 -3.974 1.00 0.00 O ATOM 1849 CB ILE A 115 4.901 -8.657 -5.180 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.529 -8.963 -3.820 1.00 0.00 C ATOM 1851 CG2 ILE A 115 4.210 -7.295 -5.151 1.00 0.00 C ATOM 1852 CD1 ILE A 115 6.357 -10.230 -3.808 1.00 0.00 C ATOM 0 H ILE A 115 4.298 -9.210 -7.562 1.00 0.00 H new ATOM 0 HA ILE A 115 4.304 -10.731 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 115 5.685 -8.612 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.158 -8.124 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.738 -9.048 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.930 -6.528 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.811 -7.069 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.396 -7.315 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.772 -10.384 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.727 -11.079 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 115 7.169 -10.141 -4.529 1.00 0.00 H new ATOM 1864 N ILE A 116 1.810 -8.594 -5.566 1.00 0.00 N ATOM 1865 CA ILE A 116 0.489 -8.244 -5.070 1.00 0.00 C ATOM 1866 C ILE A 116 -0.440 -9.453 -5.104 1.00 0.00 C ATOM 1867 O ILE A 116 -1.321 -9.597 -4.256 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.135 -7.093 -5.884 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.776 -5.863 -5.850 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.518 -6.747 -5.351 1.00 0.00 C ATOM 1871 CD1 ILE A 116 1.078 -5.296 -7.219 1.00 0.00 C ATOM 0 H ILE A 116 2.105 -8.072 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 116 0.611 -7.912 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.240 -7.420 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.307 -5.090 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.713 -6.129 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.941 -5.933 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.165 -7.621 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.440 -6.439 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.728 -4.427 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.576 -6.053 -7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.148 -4.999 -7.703 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.233 -10.322 -6.089 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.048 -11.521 -6.234 1.00 0.00 C ATOM 1885 C GLU A 117 -0.860 -12.445 -5.037 1.00 0.00 C ATOM 1886 O GLU A 117 -1.826 -12.994 -4.505 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.685 -12.258 -7.525 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.518 -13.506 -7.767 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.878 -13.693 -9.228 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.952 -13.772 -10.062 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -3.086 -13.759 -9.538 1.00 0.00 O ATOM 0 H GLU A 117 0.493 -10.217 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.094 -11.219 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.809 -11.579 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.369 -12.535 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.967 -14.379 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.432 -13.448 -7.176 1.00 0.00 H new ATOM 1898 N THR A 118 0.390 -12.610 -4.613 1.00 0.00 N ATOM 1899 CA THR A 118 0.703 -13.464 -3.474 1.00 0.00 C ATOM 1900 C THR A 118 0.014 -12.952 -2.213 1.00 0.00 C ATOM 1901 O THR A 118 -0.397 -13.733 -1.356 1.00 0.00 O ATOM 1902 CB THR A 118 2.215 -13.524 -3.255 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.895 -13.680 -4.488 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.644 -14.658 -2.349 1.00 0.00 C ATOM 0 H THR A 118 1.201 -12.164 -5.041 1.00 0.00 H new ATOM 0 HA THR A 118 0.336 -14.468 -3.688 1.00 0.00 H new ATOM 0 HB THR A 118 2.475 -12.579 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.861 -13.715 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.728 -14.643 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.175 -14.540 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.338 -15.609 -2.786 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.110 -11.632 -2.110 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.753 -11.011 -0.958 1.00 0.00 C ATOM 1914 C VAL A 119 -2.270 -11.115 -1.059 1.00 0.00 C ATOM 1915 O VAL A 119 -2.949 -11.423 -0.081 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.358 -9.527 -0.828 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.950 -8.923 0.437 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.155 -9.375 -0.841 1.00 0.00 C ATOM 0 H VAL A 119 0.227 -10.972 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.411 -11.548 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.763 -8.987 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.659 -7.875 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.037 -8.997 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.578 -9.464 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.416 -8.321 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.584 -9.929 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.552 -9.766 -1.778 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.795 -10.855 -2.252 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.232 -10.919 -2.487 1.00 0.00 C ATOM 1930 C TYR A 120 -4.761 -12.327 -2.232 1.00 0.00 C ATOM 1931 O TYR A 120 -5.841 -12.505 -1.669 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.549 -10.473 -3.921 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.866 -10.991 -4.462 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -7.012 -10.993 -3.676 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -5.959 -11.481 -5.759 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -8.213 -11.467 -4.168 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.158 -11.956 -6.257 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.280 -11.947 -5.458 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.475 -12.421 -5.951 1.00 0.00 O ATOM 0 H TYR A 120 -2.245 -10.598 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.729 -10.243 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.560 -9.384 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.745 -10.805 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.963 -10.618 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.081 -11.491 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.095 -11.461 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.215 -12.332 -7.268 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.047 -11.666 -6.204 1.00 0.00 H new ATOM 1949 N ARG A 121 -3.992 -13.323 -2.653 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.381 -14.717 -2.473 1.00 0.00 C ATOM 1951 C ARG A 121 -3.864 -15.261 -1.145 1.00 0.00 C ATOM 1952 O ARG A 121 -4.521 -16.076 -0.498 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.851 -15.568 -3.628 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.595 -16.881 -3.808 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.660 -16.775 -4.888 1.00 0.00 C ATOM 1956 NE ARG A 121 -6.980 -16.495 -4.329 1.00 0.00 N ATOM 1957 CZ ARG A 121 -7.759 -17.416 -3.768 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -7.355 -18.679 -3.689 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -8.947 -17.076 -3.285 1.00 0.00 N ATOM 0 H ARG A 121 -3.095 -13.192 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.470 -14.766 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.917 -14.993 -4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.795 -15.779 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.888 -17.668 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.059 -17.170 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.388 -15.986 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.696 -17.706 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 121 -7.325 -15.536 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.443 -18.947 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.957 -19.381 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.263 -16.108 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.544 -17.783 -2.855 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.682 -14.805 -0.747 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.094 -15.256 0.501 1.00 0.00 C ATOM 1975 C GLY A 122 -2.769 -14.645 1.713 1.00 0.00 C ATOM 1976 O GLY A 122 -3.082 -15.345 2.677 1.00 0.00 O ATOM 0 H GLY A 122 -2.120 -14.131 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.162 -16.342 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.034 -15.002 0.513 1.00 0.00 H new ATOM 1980 N ALA A 123 -2.995 -13.337 1.664 1.00 0.00 N ATOM 1981 CA ALA A 123 -3.638 -12.630 2.765 1.00 0.00 C ATOM 1982 C ALA A 123 -5.114 -12.998 2.873 1.00 0.00 C ATOM 1983 O ALA A 123 -5.724 -12.850 3.932 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.478 -11.127 2.589 1.00 0.00 C ATOM 0 H ALA A 123 -2.742 -12.745 0.873 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.150 -12.933 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.962 -10.610 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.418 -10.873 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.939 -10.819 1.650 1.00 0.00 H new ATOM 1990 N ARG A 124 -5.687 -13.478 1.770 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.093 -13.865 1.743 1.00 0.00 C ATOM 1992 C ARG A 124 -7.414 -14.849 2.866 1.00 0.00 C ATOM 1993 O ARG A 124 -8.530 -14.870 3.387 1.00 0.00 O ATOM 1994 CB ARG A 124 -7.444 -14.486 0.389 1.00 0.00 C ATOM 1995 CG ARG A 124 -8.673 -13.872 -0.261 1.00 0.00 C ATOM 1996 CD ARG A 124 -9.540 -14.929 -0.928 1.00 0.00 C ATOM 1997 NE ARG A 124 -10.699 -15.282 -0.111 1.00 0.00 N ATOM 1998 CZ ARG A 124 -11.760 -15.938 -0.575 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -11.814 -16.314 -1.846 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -12.771 -16.219 0.237 1.00 0.00 N ATOM 0 H ARG A 124 -5.198 -13.607 0.885 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.693 -12.967 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -6.594 -14.375 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.609 -15.555 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.258 -13.343 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.364 -13.134 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.878 -14.562 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.943 -15.822 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.695 -15.010 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.039 -16.101 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.630 -16.816 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.734 -15.932 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.585 -16.722 -0.117 1.00 0.00 H new ATOM 2014 N LYS A 125 -6.429 -15.662 3.233 1.00 0.00 N ATOM 2015 CA LYS A 125 -6.607 -16.646 4.294 1.00 0.00 C ATOM 2016 C LYS A 125 -5.424 -16.630 5.256 1.00 0.00 C ATOM 2017 O LYS A 125 -4.289 -16.905 4.867 1.00 0.00 O ATOM 2018 CB LYS A 125 -6.773 -18.046 3.696 1.00 0.00 C ATOM 2019 CG LYS A 125 -7.169 -19.099 4.718 1.00 0.00 C ATOM 2020 CD LYS A 125 -8.116 -20.127 4.119 1.00 0.00 C ATOM 2021 CE LYS A 125 -9.564 -19.817 4.467 1.00 0.00 C ATOM 2022 NZ LYS A 125 -9.897 -18.384 4.231 1.00 0.00 N ATOM 0 H LYS A 125 -5.500 -15.659 2.812 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.508 -16.385 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -7.529 -18.010 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.837 -18.344 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.276 -19.600 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -7.645 -18.618 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -7.997 -20.146 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -7.857 -21.120 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -10.224 -20.446 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -9.747 -20.065 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -10.923 -18.245 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -9.397 -17.793 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -9.604 -18.113 3.270 1.00 0.00 H new ATOM 2036 N GLY A 126 -5.697 -16.305 6.516 1.00 0.00 N ATOM 2037 CA GLY A 126 -4.645 -16.259 7.514 1.00 0.00 C ATOM 2038 C GLY A 126 -4.660 -17.469 8.429 1.00 0.00 C ATOM 2039 O GLY A 126 -5.377 -18.437 8.176 1.00 0.00 O ATOM 0 H GLY A 126 -6.628 -16.073 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.678 -16.196 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.755 -15.354 8.112 1.00 0.00 H new ATOM 2043 N ARG A 127 -3.868 -17.412 9.494 1.00 0.00 N ATOM 2044 CA ARG A 127 -3.793 -18.512 10.449 1.00 0.00 C ATOM 2045 C ARG A 127 -3.310 -19.790 9.771 1.00 0.00 C ATOM 2046 O ARG A 127 -4.018 -20.376 8.952 1.00 0.00 O ATOM 2047 CB ARG A 127 -5.159 -18.749 11.095 1.00 0.00 C ATOM 2048 CG ARG A 127 -5.387 -17.928 12.354 1.00 0.00 C ATOM 2049 CD ARG A 127 -6.275 -18.663 13.345 1.00 0.00 C ATOM 2050 NE ARG A 127 -5.861 -18.432 14.727 1.00 0.00 N ATOM 2051 CZ ARG A 127 -6.274 -19.166 15.757 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -7.109 -20.180 15.566 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -5.849 -18.887 16.982 1.00 0.00 N ATOM 0 H ARG A 127 -3.269 -16.617 9.718 1.00 0.00 H new ATOM 0 HA ARG A 127 -3.075 -18.239 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.940 -18.514 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.258 -19.807 11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.428 -17.702 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.846 -16.975 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.308 -18.338 13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.248 -19.732 13.132 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.218 -17.663 14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.437 -20.400 14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.422 -20.739 16.359 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.206 -18.110 17.134 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.165 -19.449 17.772 1.00 0.00 H new ATOM 2067 N GLY A 128 -2.099 -20.217 10.116 1.00 0.00 N ATOM 2068 CA GLY A 128 -1.543 -21.422 9.531 1.00 0.00 C ATOM 2069 C GLY A 128 -1.612 -22.608 10.472 1.00 0.00 C ATOM 2070 O GLY A 128 -0.571 -22.953 11.070 1.00 0.02 O ATOM 2071 OXT GLY A 128 -2.707 -23.193 10.611 1.00 0.02 O ATOM 0 H GLY A 128 -1.493 -19.749 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.081 -21.658 8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.504 -21.242 9.254 1.00 0.00 H new TER 2075 GLY A 128