USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 68 THR OG1 : rot 66:sc= 0.344 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.37! C(o=-2!,f=-5.9!) USER MOD Set 2.1: A 28 CYS SG : rot -145:sc= 1.7 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.69 USER MOD Single : A 3 SER OG : rot 178:sc= -1.07 USER MOD Single : A 5 SER OG : rot 63:sc= 1.11 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0785 K(o=-0.078,f=-2!) USER MOD Single : A 14 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.33) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.644! C(o=-0.64!,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0313 (180deg=-0.247) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc=-0.00102 (180deg=-0.166) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -150:sc= -1.22 (180deg=-2.1) USER MOD Single : A 49 ASN : amide:sc= -0.0097 X(o=-0.0097,f=-0.071) USER MOD Single : A 51 ASN : amide:sc= -3.66! C(o=-3.7!,f=-7.8!) USER MOD Single : A 53 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 59 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.74) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.0813 (180deg=-0.926) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.375 K(o=-0.38,f=-1.9) USER MOD Single : A 81 ASN : amide:sc= 0.0136 K(o=0.014,f=-4.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -58:sc= 0.00887 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.416 -6.682 20.470 1.00 0.00 N ATOM 2 CA GLY A 1 9.730 -6.583 19.056 1.00 0.00 C ATOM 3 C GLY A 1 9.781 -7.938 18.378 1.00 0.00 C ATOM 4 O GLY A 1 8.777 -8.648 18.319 1.00 0.00 O ATOM 0 H1 GLY A 1 9.393 -5.730 20.888 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.487 -7.135 20.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.143 -7.252 20.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.982 -5.961 18.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.691 -6.083 18.934 1.00 0.00 H new ATOM 8 N SER A 2 10.952 -8.296 17.863 1.00 0.00 N ATOM 9 CA SER A 2 11.129 -9.573 17.180 1.00 0.00 C ATOM 10 C SER A 2 12.595 -9.996 17.191 1.00 0.00 C ATOM 11 O SER A 2 13.469 -9.258 16.738 1.00 0.00 O ATOM 12 CB SER A 2 10.625 -9.478 15.739 1.00 0.00 C ATOM 13 OG SER A 2 9.218 -9.633 15.680 1.00 0.00 O ATOM 0 H SER A 2 11.793 -7.720 17.905 1.00 0.00 H new ATOM 0 HA SER A 2 10.548 -10.326 17.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.906 -8.514 15.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.104 -10.245 15.131 1.00 0.00 H new ATOM 0 HG SER A 2 8.825 -9.388 16.544 1.00 0.00 H new ATOM 19 N SER A 3 12.855 -11.191 17.713 1.00 0.00 N ATOM 20 CA SER A 3 14.214 -11.713 17.788 1.00 0.00 C ATOM 21 C SER A 3 14.942 -11.524 16.461 1.00 0.00 C ATOM 22 O SER A 3 16.087 -11.074 16.426 1.00 0.00 O ATOM 23 CB SER A 3 14.194 -13.196 18.164 1.00 0.00 C ATOM 24 OG SER A 3 13.752 -13.992 17.078 1.00 0.00 O ATOM 0 H SER A 3 12.142 -11.815 18.090 1.00 0.00 H new ATOM 0 HA SER A 3 14.748 -11.157 18.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.193 -13.511 18.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.538 -13.348 19.021 1.00 0.00 H new ATOM 0 HG SER A 3 13.780 -14.938 17.333 1.00 0.00 H new ATOM 30 N GLY A 4 14.269 -11.872 15.368 1.00 0.00 N ATOM 31 CA GLY A 4 14.866 -11.734 14.053 1.00 0.00 C ATOM 32 C GLY A 4 14.663 -12.964 13.191 1.00 0.00 C ATOM 33 O GLY A 4 15.243 -14.017 13.454 1.00 0.00 O ATOM 0 H GLY A 4 13.321 -12.247 15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.435 -10.868 13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.934 -11.542 14.161 1.00 0.00 H new ATOM 37 N SER A 5 13.835 -12.832 12.160 1.00 0.00 N ATOM 38 CA SER A 5 13.551 -13.944 11.260 1.00 0.00 C ATOM 39 C SER A 5 13.494 -15.262 12.026 1.00 0.00 C ATOM 40 O SER A 5 14.064 -16.266 11.599 1.00 0.00 O ATOM 41 CB SER A 5 14.615 -14.024 10.164 1.00 0.00 C ATOM 42 OG SER A 5 15.748 -14.753 10.604 1.00 0.00 O ATOM 0 H SER A 5 13.349 -11.966 11.927 1.00 0.00 H new ATOM 0 HA SER A 5 12.578 -13.769 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.194 -14.500 9.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.917 -13.018 9.872 1.00 0.00 H new ATOM 0 HG SER A 5 15.486 -15.676 10.805 1.00 0.00 H new ATOM 48 N SER A 6 12.801 -15.250 13.160 1.00 0.00 N ATOM 49 CA SER A 6 12.672 -16.443 13.990 1.00 0.00 C ATOM 50 C SER A 6 11.922 -17.543 13.245 1.00 0.00 C ATOM 51 O SER A 6 12.227 -18.726 13.391 1.00 0.00 O ATOM 52 CB SER A 6 11.945 -16.107 15.293 1.00 0.00 C ATOM 53 OG SER A 6 10.580 -15.810 15.054 1.00 0.00 O ATOM 0 H SER A 6 12.320 -14.428 13.525 1.00 0.00 H new ATOM 0 HA SER A 6 13.674 -16.804 14.224 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.022 -16.947 15.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.427 -15.255 15.773 1.00 0.00 H new ATOM 0 HG SER A 6 10.137 -15.600 15.903 1.00 0.00 H new ATOM 59 N GLY A 7 10.938 -17.144 12.444 1.00 0.00 N ATOM 60 CA GLY A 7 10.160 -18.107 11.688 1.00 0.00 C ATOM 61 C GLY A 7 10.162 -17.814 10.201 1.00 0.00 C ATOM 62 O GLY A 7 9.238 -17.202 9.665 1.00 0.00 O ATOM 0 H GLY A 7 10.666 -16.171 12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.560 -19.107 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.133 -18.107 12.054 1.00 0.00 H new ATOM 66 N PRO A 8 11.222 -18.257 9.508 1.00 0.00 N ATOM 67 CA PRO A 8 11.367 -18.050 8.065 1.00 0.00 C ATOM 68 C PRO A 8 10.371 -18.876 7.257 1.00 0.00 C ATOM 69 O PRO A 8 9.865 -19.894 7.732 1.00 0.00 O ATOM 70 CB PRO A 8 12.799 -18.512 7.782 1.00 0.00 C ATOM 71 CG PRO A 8 13.105 -19.482 8.870 1.00 0.00 C ATOM 72 CD PRO A 8 12.360 -18.995 10.082 1.00 0.00 C ATOM 0 HA PRO A 8 11.174 -17.016 7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.878 -18.980 6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.495 -17.673 7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.788 -20.488 8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.177 -19.527 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.028 -19.822 10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.982 -18.353 10.705 1.00 0.00 H new ATOM 80 N LEU A 9 10.095 -18.433 6.036 1.00 0.00 N ATOM 81 CA LEU A 9 9.160 -19.132 5.162 1.00 0.00 C ATOM 82 C LEU A 9 9.606 -19.046 3.706 1.00 0.00 C ATOM 83 O LEU A 9 10.289 -18.107 3.295 1.00 0.00 O ATOM 84 CB LEU A 9 7.755 -18.546 5.312 1.00 0.00 C ATOM 85 CG LEU A 9 7.103 -18.708 6.686 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.070 -17.617 6.918 1.00 0.00 C ATOM 87 CD2 LEU A 9 6.467 -20.084 6.816 1.00 0.00 C ATOM 0 H LEU A 9 10.505 -17.593 5.629 1.00 0.00 H new ATOM 0 HA LEU A 9 9.143 -20.182 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.800 -17.483 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.108 -19.011 4.568 1.00 0.00 H new ATOM 0 HG LEU A 9 7.877 -18.615 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.617 -17.748 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.554 -16.641 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.298 -17.678 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.008 -20.181 7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.705 -20.207 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.232 -20.851 6.695 1.00 0.00 H new ATOM 99 N PRO A 10 9.211 -20.047 2.905 1.00 0.00 N ATOM 100 CA PRO A 10 9.557 -20.105 1.482 1.00 0.00 C ATOM 101 C PRO A 10 8.837 -19.037 0.666 1.00 0.00 C ATOM 102 O PRO A 10 7.848 -18.459 1.117 1.00 0.00 O ATOM 103 CB PRO A 10 9.094 -21.502 1.061 1.00 0.00 C ATOM 104 CG PRO A 10 8.014 -21.850 2.027 1.00 0.00 C ATOM 105 CD PRO A 10 8.396 -21.198 3.327 1.00 0.00 C ATOM 0 HA PRO A 10 10.618 -19.924 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.724 -21.504 0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.912 -22.221 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.047 -21.488 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.927 -22.930 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.518 -20.883 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.960 -21.877 3.966 1.00 0.00 H new ATOM 113 N SER A 11 9.338 -18.780 -0.538 1.00 0.00 N ATOM 114 CA SER A 11 8.744 -17.779 -1.416 1.00 0.00 C ATOM 115 C SER A 11 7.301 -18.141 -1.754 1.00 0.00 C ATOM 116 O SER A 11 7.042 -19.109 -2.469 1.00 0.00 O ATOM 117 CB SER A 11 9.563 -17.646 -2.701 1.00 0.00 C ATOM 118 OG SER A 11 9.200 -16.479 -3.419 1.00 0.00 O ATOM 0 H SER A 11 10.154 -19.251 -0.928 1.00 0.00 H new ATOM 0 HA SER A 11 8.747 -16.824 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.625 -17.611 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.408 -18.525 -3.327 1.00 0.00 H new ATOM 0 HG SER A 11 9.739 -16.416 -4.235 1.00 0.00 H new ATOM 124 N THR A 12 6.363 -17.355 -1.234 1.00 0.00 N ATOM 125 CA THR A 12 4.946 -17.591 -1.479 1.00 0.00 C ATOM 126 C THR A 12 4.595 -17.362 -2.945 1.00 0.00 C ATOM 127 O THR A 12 5.174 -16.497 -3.602 1.00 0.00 O ATOM 128 CB THR A 12 4.065 -16.680 -0.603 1.00 0.00 C ATOM 129 OG1 THR A 12 4.482 -15.317 -0.740 1.00 0.00 O ATOM 130 CG2 THR A 12 4.142 -17.095 0.858 1.00 0.00 C ATOM 0 H THR A 12 6.560 -16.549 -0.640 1.00 0.00 H new ATOM 0 HA THR A 12 4.750 -18.631 -1.220 1.00 0.00 H new ATOM 0 HB THR A 12 3.032 -16.779 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.916 -14.744 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.512 -16.437 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.796 -18.123 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.173 -17.022 1.203 1.00 0.00 H new ATOM 138 N GLN A 13 3.644 -18.141 -3.450 1.00 0.00 N ATOM 139 CA GLN A 13 3.217 -18.021 -4.839 1.00 0.00 C ATOM 140 C GLN A 13 2.596 -16.653 -5.102 1.00 0.00 C ATOM 141 O GLN A 13 3.111 -15.870 -5.899 1.00 0.00 O ATOM 142 CB GLN A 13 2.214 -19.124 -5.182 1.00 0.00 C ATOM 143 CG GLN A 13 1.715 -19.066 -6.617 1.00 0.00 C ATOM 144 CD GLN A 13 1.152 -20.391 -7.093 1.00 0.00 C ATOM 145 OE1 GLN A 13 1.335 -21.424 -6.448 1.00 0.00 O ATOM 146 NE2 GLN A 13 0.461 -20.368 -8.227 1.00 0.00 N ATOM 0 H GLN A 13 3.155 -18.861 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 13 4.096 -18.128 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.679 -20.094 -5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.362 -19.052 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.946 -18.298 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.535 -18.768 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.334 -19.489 -8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.057 -21.229 -8.596 1.00 0.00 H new ATOM 155 N ASN A 14 1.487 -16.372 -4.426 1.00 0.00 N ATOM 156 CA ASN A 14 0.795 -15.098 -4.587 1.00 0.00 C ATOM 157 C ASN A 14 1.702 -13.934 -4.199 1.00 0.00 C ATOM 158 O ASN A 14 2.440 -14.009 -3.218 1.00 0.00 O ATOM 159 CB ASN A 14 -0.477 -15.074 -3.738 1.00 0.00 C ATOM 160 CG ASN A 14 -0.947 -13.663 -3.442 1.00 0.00 C ATOM 161 OD1 ASN A 14 -1.215 -12.881 -4.354 1.00 0.00 O ATOM 162 ND2 ASN A 14 -1.049 -13.331 -2.160 1.00 0.00 N ATOM 0 H ASN A 14 1.048 -17.009 -3.761 1.00 0.00 H new ATOM 0 HA ASN A 14 0.524 -14.990 -5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.267 -15.616 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.294 -15.598 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.360 -12.395 -1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.816 -14.012 -1.437 1.00 0.00 H new ATOM 169 N GLY A 15 1.639 -12.858 -4.977 1.00 0.00 N ATOM 170 CA GLY A 15 2.458 -11.693 -4.698 1.00 0.00 C ATOM 171 C GLY A 15 1.636 -10.498 -4.258 1.00 0.00 C ATOM 172 O GLY A 15 0.506 -10.296 -4.704 1.00 0.00 O ATOM 0 H GLY A 15 1.036 -12.772 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.181 -11.939 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.026 -11.430 -5.590 1.00 0.00 H new ATOM 176 N PRO A 16 2.207 -9.680 -3.361 1.00 0.00 N ATOM 177 CA PRO A 16 1.536 -8.485 -2.840 1.00 0.00 C ATOM 178 C PRO A 16 1.398 -7.392 -3.894 1.00 0.00 C ATOM 179 O PRO A 16 2.122 -7.380 -4.890 1.00 0.00 O ATOM 180 CB PRO A 16 2.460 -8.024 -1.710 1.00 0.00 C ATOM 181 CG PRO A 16 3.802 -8.557 -2.077 1.00 0.00 C ATOM 182 CD PRO A 16 3.551 -9.858 -2.787 1.00 0.00 C ATOM 0 HA PRO A 16 0.517 -8.698 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.474 -6.937 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.130 -8.411 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.337 -7.858 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.417 -8.709 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.297 -10.044 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.586 -10.704 -2.100 1.00 0.00 H new ATOM 190 N VAL A 17 0.464 -6.474 -3.669 1.00 0.00 N ATOM 191 CA VAL A 17 0.231 -5.375 -4.599 1.00 0.00 C ATOM 192 C VAL A 17 1.108 -4.174 -4.261 1.00 0.00 C ATOM 193 O VAL A 17 1.266 -3.816 -3.094 1.00 0.00 O ATOM 194 CB VAL A 17 -1.245 -4.936 -4.592 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.458 -3.761 -5.534 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.148 -6.101 -4.967 1.00 0.00 C ATOM 0 H VAL A 17 -0.144 -6.469 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 17 0.488 -5.742 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.505 -4.613 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.507 -3.465 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.839 -2.922 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.181 -4.052 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.188 -5.773 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.889 -6.456 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.016 -6.910 -4.248 1.00 0.00 H new ATOM 206 N PHE A 18 1.678 -3.556 -5.290 1.00 0.00 N ATOM 207 CA PHE A 18 2.540 -2.395 -5.103 1.00 0.00 C ATOM 208 C PHE A 18 1.864 -1.127 -5.616 1.00 0.00 C ATOM 209 O PHE A 18 1.175 -1.147 -6.636 1.00 0.00 O ATOM 210 CB PHE A 18 3.874 -2.603 -5.824 1.00 0.00 C ATOM 211 CG PHE A 18 4.802 -3.541 -5.108 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.382 -3.178 -3.903 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.097 -4.786 -5.640 1.00 0.00 C ATOM 214 CE1 PHE A 18 6.236 -4.039 -3.241 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.950 -5.652 -4.982 1.00 0.00 C ATOM 216 CZ PHE A 18 6.522 -5.277 -3.782 1.00 0.00 C ATOM 0 H PHE A 18 1.558 -3.840 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 18 2.726 -2.280 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.681 -2.989 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.367 -1.638 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.164 -2.210 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.655 -5.083 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.679 -3.744 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.169 -6.621 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.192 -5.951 -3.268 1.00 0.00 H new ATOM 226 N ALA A 19 2.066 -0.025 -4.901 1.00 0.00 N ATOM 227 CA ALA A 19 1.477 1.252 -5.284 1.00 0.00 C ATOM 228 C ALA A 19 2.318 2.418 -4.775 1.00 0.00 C ATOM 229 O ALA A 19 2.499 2.587 -3.569 1.00 0.00 O ATOM 230 CB ALA A 19 0.054 1.356 -4.757 1.00 0.00 C ATOM 0 H ALA A 19 2.633 0.009 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 19 1.454 1.302 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.374 2.315 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.548 0.548 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.062 1.280 -3.670 1.00 0.00 H new ATOM 236 N LYS A 20 2.831 3.220 -5.701 1.00 0.00 N ATOM 237 CA LYS A 20 3.653 4.371 -5.347 1.00 0.00 C ATOM 238 C LYS A 20 2.783 5.560 -4.952 1.00 0.00 C ATOM 239 O LYS A 20 1.793 5.865 -5.616 1.00 0.00 O ATOM 240 CB LYS A 20 4.560 4.756 -6.519 1.00 0.00 C ATOM 241 CG LYS A 20 3.875 5.629 -7.556 1.00 0.00 C ATOM 242 CD LYS A 20 4.723 5.775 -8.809 1.00 0.00 C ATOM 243 CE LYS A 20 5.719 6.917 -8.678 1.00 0.00 C ATOM 244 NZ LYS A 20 5.093 8.236 -8.968 1.00 0.00 N ATOM 0 H LYS A 20 2.692 3.094 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 20 4.271 4.096 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.434 5.281 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.921 3.848 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.909 5.196 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.678 6.614 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.258 4.844 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.076 5.951 -9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.131 6.925 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.552 6.752 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.805 8.988 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.722 8.238 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.314 8.405 -8.300 1.00 0.00 H new ATOM 258 N ALA A 21 3.161 6.229 -3.868 1.00 0.00 N ATOM 259 CA ALA A 21 2.417 7.387 -3.387 1.00 0.00 C ATOM 260 C ALA A 21 2.640 8.596 -4.288 1.00 0.00 C ATOM 261 O ALA A 21 3.691 9.235 -4.236 1.00 0.00 O ATOM 262 CB ALA A 21 2.815 7.713 -1.955 1.00 0.00 C ATOM 0 H ALA A 21 3.978 5.989 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 21 1.355 7.140 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.252 8.580 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.597 6.859 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.882 7.934 -1.915 1.00 0.00 H new ATOM 268 N ILE A 22 1.645 8.905 -5.114 1.00 0.00 N ATOM 269 CA ILE A 22 1.734 10.038 -6.026 1.00 0.00 C ATOM 270 C ILE A 22 1.640 11.360 -5.272 1.00 0.00 C ATOM 271 O ILE A 22 2.194 12.371 -5.702 1.00 0.00 O ATOM 272 CB ILE A 22 0.625 9.989 -7.094 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.729 10.331 -6.470 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.581 8.617 -7.750 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.828 10.542 -7.488 1.00 0.00 C ATOM 0 H ILE A 22 0.769 8.386 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 22 2.704 9.972 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 22 0.848 10.730 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.021 9.528 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.625 11.233 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.208 8.598 -8.502 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.540 8.410 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.379 7.858 -6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.759 10.781 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.558 11.365 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.960 9.633 -8.074 1.00 0.00 H new ATOM 287 N GLN A 23 0.938 11.342 -4.144 1.00 0.00 N ATOM 288 CA GLN A 23 0.773 12.540 -3.329 1.00 0.00 C ATOM 289 C GLN A 23 1.302 12.315 -1.916 1.00 0.00 C ATOM 290 O GLN A 23 1.182 11.221 -1.364 1.00 0.00 O ATOM 291 CB GLN A 23 -0.701 12.947 -3.275 1.00 0.00 C ATOM 292 CG GLN A 23 -0.914 14.444 -3.117 1.00 0.00 C ATOM 293 CD GLN A 23 0.009 15.261 -3.999 1.00 0.00 C ATOM 294 OE1 GLN A 23 1.110 15.632 -3.591 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.435 15.546 -5.218 1.00 0.00 N ATOM 0 H GLN A 23 0.475 10.512 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 23 1.348 13.343 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.195 12.612 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.182 12.430 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.949 14.687 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.755 14.722 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.354 15.219 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.143 16.092 -5.857 1.00 0.00 H new ATOM 304 N LYS A 24 1.888 13.356 -1.336 1.00 0.00 N ATOM 305 CA LYS A 24 2.436 13.274 0.012 1.00 0.00 C ATOM 306 C LYS A 24 1.321 13.155 1.046 1.00 0.00 C ATOM 307 O LYS A 24 0.489 14.052 1.182 1.00 0.00 O ATOM 308 CB LYS A 24 3.295 14.504 0.313 1.00 0.00 C ATOM 309 CG LYS A 24 4.006 14.437 1.653 1.00 0.00 C ATOM 310 CD LYS A 24 4.675 15.758 1.996 1.00 0.00 C ATOM 311 CE LYS A 24 5.474 15.659 3.287 1.00 0.00 C ATOM 312 NZ LYS A 24 6.621 14.719 3.158 1.00 0.00 N ATOM 0 H LYS A 24 1.996 14.268 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 24 3.059 12.381 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.037 14.620 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.663 15.392 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.290 14.177 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.754 13.644 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.334 16.056 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.918 16.536 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.843 16.647 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.821 15.327 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.288 14.876 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.273 13.740 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.105 14.884 2.252 1.00 0.00 H new ATOM 326 N ARG A 25 1.311 12.043 1.774 1.00 0.00 N ATOM 327 CA ARG A 25 0.298 11.807 2.796 1.00 0.00 C ATOM 328 C ARG A 25 0.707 12.440 4.123 1.00 0.00 C ATOM 329 O ARG A 25 1.756 12.116 4.680 1.00 0.00 O ATOM 330 CB ARG A 25 0.071 10.306 2.982 1.00 0.00 C ATOM 331 CG ARG A 25 -1.343 9.953 3.415 1.00 0.00 C ATOM 332 CD ARG A 25 -1.620 10.408 4.840 1.00 0.00 C ATOM 333 NE ARG A 25 -3.009 10.179 5.227 1.00 0.00 N ATOM 334 CZ ARG A 25 -4.006 10.997 4.906 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.767 12.091 4.196 1.00 0.00 N ATOM 336 NH2 ARG A 25 -5.244 10.721 5.296 1.00 0.00 N ATOM 0 H ARG A 25 1.993 11.291 1.675 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.632 12.269 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.293 9.795 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.774 9.930 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.059 10.419 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.489 8.875 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.960 9.876 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.388 11.469 4.933 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.226 9.346 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.816 12.306 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.534 12.717 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.431 9.880 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.009 11.349 5.049 1.00 0.00 H new ATOM 350 N VAL A 26 -0.128 13.344 4.624 1.00 0.00 N ATOM 351 CA VAL A 26 0.146 14.022 5.885 1.00 0.00 C ATOM 352 C VAL A 26 -0.972 13.780 6.893 1.00 0.00 C ATOM 353 O VAL A 26 -1.972 14.497 6.934 1.00 0.00 O ATOM 354 CB VAL A 26 0.318 15.539 5.681 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.586 16.229 7.010 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.437 15.819 4.690 1.00 0.00 C ATOM 0 H VAL A 26 -1.000 13.624 4.176 1.00 0.00 H new ATOM 0 HA VAL A 26 1.077 13.607 6.272 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.608 15.941 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.705 17.300 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.252 16.056 7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.497 15.826 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.545 16.896 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.371 15.405 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.198 15.358 3.732 1.00 0.00 H new ATOM 366 N PRO A 27 -0.801 12.744 7.728 1.00 0.00 N ATOM 367 CA PRO A 27 -1.785 12.383 8.753 1.00 0.00 C ATOM 368 C PRO A 27 -1.850 13.408 9.881 1.00 0.00 C ATOM 369 O PRO A 27 -0.889 14.138 10.124 1.00 0.00 O ATOM 370 CB PRO A 27 -1.272 11.041 9.280 1.00 0.00 C ATOM 371 CG PRO A 27 0.192 11.061 9.007 1.00 0.00 C ATOM 372 CD PRO A 27 0.366 11.846 7.736 1.00 0.00 C ATOM 0 HA PRO A 27 -2.797 12.340 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.474 10.931 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.757 10.206 8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.736 11.525 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.582 10.049 8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.302 12.404 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.379 11.196 6.861 1.00 0.00 H new ATOM 380 N CYS A 28 -2.988 13.456 10.565 1.00 0.00 N ATOM 381 CA CYS A 28 -3.177 14.392 11.667 1.00 0.00 C ATOM 382 C CYS A 28 -2.293 14.022 12.854 1.00 0.00 C ATOM 383 O CYS A 28 -1.754 12.918 12.918 1.00 0.00 O ATOM 384 CB CYS A 28 -4.645 14.415 12.097 1.00 0.00 C ATOM 385 SG CYS A 28 -5.097 15.847 13.105 1.00 0.00 S ATOM 0 H CYS A 28 -3.793 12.858 10.376 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.891 15.385 11.320 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.274 14.398 11.207 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.862 13.506 12.658 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.979 15.492 13.992 1.00 0.00 H new ATOM 391 N ALA A 29 -2.148 14.954 13.790 1.00 0.00 N ATOM 392 CA ALA A 29 -1.329 14.725 14.974 1.00 0.00 C ATOM 393 C ALA A 29 -1.831 13.521 15.764 1.00 0.00 C ATOM 394 O ALA A 29 -1.045 12.797 16.376 1.00 0.00 O ATOM 395 CB ALA A 29 -1.314 15.967 15.853 1.00 0.00 C ATOM 0 H ALA A 29 -2.587 15.874 13.751 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.311 14.513 14.647 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.699 15.782 16.734 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.901 16.805 15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.331 16.205 16.164 1.00 0.00 H new ATOM 401 N TYR A 30 -3.143 13.314 15.748 1.00 0.00 N ATOM 402 CA TYR A 30 -3.750 12.199 16.466 1.00 0.00 C ATOM 403 C TYR A 30 -4.308 11.165 15.494 1.00 0.00 C ATOM 404 O TYR A 30 -5.386 10.611 15.711 1.00 0.00 O ATOM 405 CB TYR A 30 -4.862 12.703 17.387 1.00 0.00 C ATOM 406 CG TYR A 30 -5.671 13.836 16.795 1.00 0.00 C ATOM 407 CD1 TYR A 30 -6.689 13.587 15.883 1.00 0.00 C ATOM 408 CD2 TYR A 30 -5.416 15.156 17.148 1.00 0.00 C ATOM 409 CE1 TYR A 30 -7.430 14.618 15.340 1.00 0.00 C ATOM 410 CE2 TYR A 30 -6.153 16.193 16.611 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.158 15.920 15.707 1.00 0.00 C ATOM 412 OH TYR A 30 -7.893 16.951 15.169 1.00 0.00 O ATOM 0 H TYR A 30 -3.807 13.904 15.246 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.976 11.724 17.069 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.530 11.875 17.623 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.421 13.035 18.327 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.905 12.569 15.594 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.628 15.374 17.854 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.218 14.406 14.632 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.943 17.213 16.898 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.575 17.804 15.533 1.00 0.00 H new ATOM 422 N ASP A 31 -3.567 10.909 14.422 1.00 0.00 N ATOM 423 CA ASP A 31 -3.985 9.940 13.416 1.00 0.00 C ATOM 424 C ASP A 31 -3.027 8.753 13.372 1.00 0.00 C ATOM 425 O ASP A 31 -1.987 8.805 12.716 1.00 0.00 O ATOM 426 CB ASP A 31 -4.060 10.602 12.039 1.00 0.00 C ATOM 427 CG ASP A 31 -5.044 9.909 11.117 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.410 8.750 11.403 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.447 10.525 10.108 1.00 0.00 O ATOM 0 H ASP A 31 -2.673 11.360 14.227 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.975 9.575 13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.350 11.646 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.071 10.595 11.581 1.00 0.00 H new ATOM 434 N LYS A 32 -3.384 7.685 14.076 1.00 0.00 N ATOM 435 CA LYS A 32 -2.557 6.485 14.119 1.00 0.00 C ATOM 436 C LYS A 32 -2.979 5.495 13.037 1.00 0.00 C ATOM 437 O LYS A 32 -2.226 4.586 12.685 1.00 0.00 O ATOM 438 CB LYS A 32 -2.652 5.823 15.495 1.00 0.00 C ATOM 439 CG LYS A 32 -1.778 6.481 16.548 1.00 0.00 C ATOM 440 CD LYS A 32 -0.335 6.013 16.447 1.00 0.00 C ATOM 441 CE LYS A 32 -0.164 4.610 17.009 1.00 0.00 C ATOM 442 NZ LYS A 32 -0.297 4.587 18.492 1.00 0.00 N ATOM 0 H LYS A 32 -4.241 7.626 14.625 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.524 6.780 13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.689 5.846 15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.370 4.774 15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.819 7.564 16.432 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.167 6.252 17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.018 6.030 15.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.312 6.704 16.988 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.909 3.948 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.815 4.222 16.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.070 3.686 18.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.245 5.375 18.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.299 4.684 18.752 1.00 0.00 H new ATOM 456 N THR A 33 -4.186 5.678 12.512 1.00 0.00 N ATOM 457 CA THR A 33 -4.707 4.802 11.470 1.00 0.00 C ATOM 458 C THR A 33 -4.370 5.335 10.083 1.00 0.00 C ATOM 459 O THR A 33 -4.667 4.698 9.073 1.00 0.00 O ATOM 460 CB THR A 33 -6.235 4.637 11.587 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.870 5.920 11.551 1.00 0.00 O ATOM 462 CG2 THR A 33 -6.605 3.918 12.875 1.00 0.00 C ATOM 0 H THR A 33 -4.822 6.425 12.791 1.00 0.00 H new ATOM 0 HA THR A 33 -4.232 3.831 11.608 1.00 0.00 H new ATOM 0 HB THR A 33 -6.579 4.038 10.744 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.841 5.807 11.624 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.688 3.813 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.144 2.930 12.886 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.248 4.494 13.729 1.00 0.00 H new ATOM 470 N ALA A 34 -3.745 6.508 10.041 1.00 0.00 N ATOM 471 CA ALA A 34 -3.364 7.125 8.777 1.00 0.00 C ATOM 472 C ALA A 34 -1.869 6.973 8.520 1.00 0.00 C ATOM 473 O ALA A 34 -1.046 7.584 9.203 1.00 0.00 O ATOM 474 CB ALA A 34 -3.756 8.596 8.768 1.00 0.00 C ATOM 0 H ALA A 34 -3.492 7.049 10.868 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.898 6.613 7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.465 9.044 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.835 8.686 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.249 9.113 9.583 1.00 0.00 H new ATOM 480 N LEU A 35 -1.524 6.154 7.532 1.00 0.00 N ATOM 481 CA LEU A 35 -0.126 5.921 7.185 1.00 0.00 C ATOM 482 C LEU A 35 0.442 7.094 6.393 1.00 0.00 C ATOM 483 O LEU A 35 -0.189 7.587 5.458 1.00 0.00 O ATOM 484 CB LEU A 35 0.011 4.630 6.376 1.00 0.00 C ATOM 485 CG LEU A 35 1.330 3.874 6.536 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.400 2.711 5.559 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.510 4.813 6.335 1.00 0.00 C ATOM 0 H LEU A 35 -2.192 5.641 6.958 1.00 0.00 H new ATOM 0 HA LEU A 35 0.441 5.824 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.804 3.962 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.121 4.870 5.321 1.00 0.00 H new ATOM 0 HG LEU A 35 1.377 3.474 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.346 2.184 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.574 2.026 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.330 3.088 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.441 4.258 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.467 5.242 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.469 5.613 7.074 1.00 0.00 H new ATOM 499 N ALA A 36 1.637 7.535 6.772 1.00 0.00 N ATOM 500 CA ALA A 36 2.291 8.647 6.095 1.00 0.00 C ATOM 501 C ALA A 36 3.280 8.147 5.047 1.00 0.00 C ATOM 502 O ALA A 36 4.056 7.225 5.302 1.00 0.00 O ATOM 503 CB ALA A 36 2.997 9.540 7.105 1.00 0.00 C ATOM 0 H ALA A 36 2.172 7.139 7.545 1.00 0.00 H new ATOM 0 HA ALA A 36 1.524 9.230 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.481 10.366 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.269 9.934 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.748 8.960 7.641 1.00 0.00 H new ATOM 509 N LEU A 37 3.246 8.759 3.869 1.00 0.00 N ATOM 510 CA LEU A 37 4.140 8.374 2.781 1.00 0.00 C ATOM 511 C LEU A 37 4.580 9.596 1.981 1.00 0.00 C ATOM 512 O LEU A 37 3.772 10.471 1.672 1.00 0.00 O ATOM 513 CB LEU A 37 3.449 7.367 1.859 1.00 0.00 C ATOM 514 CG LEU A 37 2.878 6.120 2.535 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.739 5.541 1.711 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.970 5.080 2.745 1.00 0.00 C ATOM 0 H LEU A 37 2.610 9.523 3.642 1.00 0.00 H new ATOM 0 HA LEU A 37 5.025 7.910 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.638 7.877 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.164 7.049 1.100 1.00 0.00 H new ATOM 0 HG LEU A 37 2.484 6.406 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.345 4.654 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.947 6.284 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.107 5.270 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.546 4.199 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.394 4.797 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.754 5.498 3.377 1.00 0.00 H new ATOM 528 N GLU A 38 5.865 9.646 1.646 1.00 0.00 N ATOM 529 CA GLU A 38 6.411 10.760 0.880 1.00 0.00 C ATOM 530 C GLU A 38 6.126 10.588 -0.609 1.00 0.00 C ATOM 531 O GLU A 38 5.847 9.483 -1.076 1.00 0.00 O ATOM 532 CB GLU A 38 7.920 10.876 1.111 1.00 0.00 C ATOM 533 CG GLU A 38 8.441 12.300 1.020 1.00 0.00 C ATOM 534 CD GLU A 38 9.903 12.362 0.621 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.768 12.240 1.513 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.181 12.532 -0.584 1.00 0.00 O ATOM 0 H GLU A 38 6.547 8.929 1.893 1.00 0.00 H new ATOM 0 HA GLU A 38 5.926 11.674 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.161 10.472 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.440 10.260 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.846 12.855 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.310 12.793 1.983 1.00 0.00 H new ATOM 543 N VAL A 39 6.197 11.689 -1.351 1.00 0.00 N ATOM 544 CA VAL A 39 5.947 11.661 -2.787 1.00 0.00 C ATOM 545 C VAL A 39 6.934 10.742 -3.499 1.00 0.00 C ATOM 546 O VAL A 39 8.127 11.032 -3.571 1.00 0.00 O ATOM 547 CB VAL A 39 6.041 13.070 -3.401 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.658 13.039 -4.872 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.160 14.045 -2.633 1.00 0.00 C ATOM 0 H VAL A 39 6.426 12.612 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 39 4.935 11.280 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 39 7.073 13.411 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.731 14.044 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.333 12.374 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.635 12.677 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.238 15.036 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.124 13.709 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.486 14.089 -1.594 1.00 0.00 H new ATOM 559 N GLY A 40 6.426 9.631 -4.025 1.00 0.00 N ATOM 560 CA GLY A 40 7.276 8.686 -4.725 1.00 0.00 C ATOM 561 C GLY A 40 7.685 7.517 -3.852 1.00 0.00 C ATOM 562 O GLY A 40 8.716 6.886 -4.090 1.00 0.00 O ATOM 0 H GLY A 40 5.441 9.369 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.751 8.313 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.169 9.200 -5.081 1.00 0.00 H new ATOM 566 N ASP A 41 6.878 7.227 -2.838 1.00 0.00 N ATOM 567 CA ASP A 41 7.161 6.125 -1.925 1.00 0.00 C ATOM 568 C ASP A 41 6.294 4.913 -2.251 1.00 0.00 C ATOM 569 O ASP A 41 5.068 5.012 -2.307 1.00 0.00 O ATOM 570 CB ASP A 41 6.927 6.561 -0.478 1.00 0.00 C ATOM 571 CG ASP A 41 8.149 7.219 0.133 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.635 8.216 -0.441 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.620 6.736 1.184 1.00 0.00 O ATOM 0 H ASP A 41 6.022 7.740 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 41 8.207 5.844 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.088 7.256 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.648 5.693 0.119 1.00 0.00 H new ATOM 578 N ILE A 42 6.939 3.772 -2.466 1.00 0.00 N ATOM 579 CA ILE A 42 6.227 2.541 -2.786 1.00 0.00 C ATOM 580 C ILE A 42 5.529 1.974 -1.555 1.00 0.00 C ATOM 581 O ILE A 42 6.123 1.874 -0.481 1.00 0.00 O ATOM 582 CB ILE A 42 7.178 1.473 -3.360 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.887 2.008 -4.606 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.410 0.201 -3.686 1.00 0.00 C ATOM 585 CD1 ILE A 42 6.939 2.422 -5.710 1.00 0.00 C ATOM 0 H ILE A 42 7.953 3.674 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 42 5.481 2.795 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 42 7.932 1.237 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.501 2.864 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.563 1.242 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.095 -0.544 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.947 -0.187 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.637 0.421 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.511 2.791 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.342 1.563 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.280 3.210 -5.347 1.00 0.00 H new ATOM 597 N VAL A 43 4.263 1.602 -1.718 1.00 0.00 N ATOM 598 CA VAL A 43 3.483 1.042 -0.621 1.00 0.00 C ATOM 599 C VAL A 43 3.132 -0.418 -0.886 1.00 0.00 C ATOM 600 O VAL A 43 2.427 -0.735 -1.844 1.00 0.00 O ATOM 601 CB VAL A 43 2.185 1.837 -0.391 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.547 1.449 0.934 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.461 3.333 -0.441 1.00 0.00 C ATOM 0 H VAL A 43 3.756 1.679 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 43 4.103 1.108 0.273 1.00 0.00 H new ATOM 0 HB VAL A 43 1.484 1.592 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.631 2.022 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.312 0.385 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.240 1.662 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.533 3.880 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.180 3.597 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.869 3.595 -1.417 1.00 0.00 H new ATOM 613 N LYS A 44 3.627 -1.305 -0.029 1.00 0.00 N ATOM 614 CA LYS A 44 3.365 -2.732 -0.168 1.00 0.00 C ATOM 615 C LYS A 44 2.205 -3.162 0.725 1.00 0.00 C ATOM 616 O LYS A 44 2.340 -3.225 1.947 1.00 0.00 O ATOM 617 CB LYS A 44 4.618 -3.539 0.182 1.00 0.00 C ATOM 618 CG LYS A 44 4.563 -4.982 -0.287 1.00 0.00 C ATOM 619 CD LYS A 44 5.366 -5.895 0.625 1.00 0.00 C ATOM 620 CE LYS A 44 4.522 -6.412 1.780 1.00 0.00 C ATOM 621 NZ LYS A 44 5.362 -6.975 2.873 1.00 0.00 N ATOM 0 H LYS A 44 4.212 -1.060 0.770 1.00 0.00 H new ATOM 0 HA LYS A 44 3.093 -2.926 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.488 -3.054 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.761 -3.522 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.526 -5.317 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.950 -5.050 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.752 -6.737 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.227 -5.354 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.910 -5.601 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.839 -7.179 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.749 -7.316 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.928 -7.766 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.996 -6.237 3.239 1.00 0.00 H new ATOM 635 N VAL A 45 1.066 -3.458 0.107 1.00 0.00 N ATOM 636 CA VAL A 45 -0.116 -3.884 0.845 1.00 0.00 C ATOM 637 C VAL A 45 -0.404 -5.363 0.615 1.00 0.00 C ATOM 638 O VAL A 45 -0.379 -5.844 -0.518 1.00 0.00 O ATOM 639 CB VAL A 45 -1.356 -3.062 0.444 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.478 -2.986 -1.071 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.612 -3.659 1.059 1.00 0.00 C ATOM 0 H VAL A 45 0.937 -3.410 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 45 0.094 -3.718 1.902 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.239 -2.048 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.359 -2.402 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.589 -2.510 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.573 -3.992 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.478 -3.066 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.738 -4.683 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.522 -3.656 2.145 1.00 0.00 H new ATOM 651 N THR A 46 -0.679 -6.083 1.699 1.00 0.00 N ATOM 652 CA THR A 46 -0.972 -7.508 1.617 1.00 0.00 C ATOM 653 C THR A 46 -2.444 -7.784 1.900 1.00 0.00 C ATOM 654 O THR A 46 -2.979 -8.818 1.500 1.00 0.00 O ATOM 655 CB THR A 46 -0.110 -8.316 2.605 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.611 -8.156 3.937 1.00 0.00 O ATOM 657 CG2 THR A 46 1.343 -7.869 2.547 1.00 0.00 C ATOM 0 H THR A 46 -0.705 -5.701 2.645 1.00 0.00 H new ATOM 0 HA THR A 46 -0.736 -7.821 0.600 1.00 0.00 H new ATOM 0 HB THR A 46 -0.162 -9.367 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.059 -8.674 4.559 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.932 -8.454 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.730 -8.020 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.409 -6.812 2.807 1.00 0.00 H new ATOM 665 N ARG A 47 -3.094 -6.854 2.591 1.00 0.00 N ATOM 666 CA ARG A 47 -4.505 -6.998 2.928 1.00 0.00 C ATOM 667 C ARG A 47 -5.293 -5.760 2.511 1.00 0.00 C ATOM 668 O ARG A 47 -4.958 -4.640 2.896 1.00 0.00 O ATOM 669 CB ARG A 47 -4.670 -7.239 4.430 1.00 0.00 C ATOM 670 CG ARG A 47 -4.591 -8.705 4.824 1.00 0.00 C ATOM 671 CD ARG A 47 -5.368 -8.981 6.101 1.00 0.00 C ATOM 672 NE ARG A 47 -5.106 -10.320 6.623 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.714 -11.414 6.178 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.614 -11.329 5.208 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.422 -12.597 6.703 1.00 0.00 N ATOM 0 H ARG A 47 -2.666 -5.992 2.929 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.897 -7.857 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.898 -6.686 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.631 -6.837 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.985 -9.322 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.548 -8.990 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.102 -8.240 6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.435 -8.870 5.907 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.419 -10.420 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.841 -10.422 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.079 -12.171 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.730 -12.667 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.890 -13.436 6.361 1.00 0.00 H new ATOM 689 N MET A 48 -6.340 -5.971 1.720 1.00 0.00 N ATOM 690 CA MET A 48 -7.176 -4.872 1.251 1.00 0.00 C ATOM 691 C MET A 48 -8.603 -5.012 1.773 1.00 0.00 C ATOM 692 O MET A 48 -9.393 -5.792 1.243 1.00 0.00 O ATOM 693 CB MET A 48 -7.183 -4.824 -0.278 1.00 0.00 C ATOM 694 CG MET A 48 -5.891 -4.289 -0.875 1.00 0.00 C ATOM 695 SD MET A 48 -5.847 -4.427 -2.672 1.00 0.00 S ATOM 696 CE MET A 48 -4.355 -3.508 -3.046 1.00 0.00 C ATOM 0 H MET A 48 -6.629 -6.892 1.391 1.00 0.00 H new ATOM 0 HA MET A 48 -6.757 -3.942 1.635 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.364 -5.827 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.013 -4.200 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.770 -3.243 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.047 -4.834 -0.452 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.448 -3.047 -4.029 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.207 -2.733 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.500 -4.185 -3.042 1.00 0.00 H new ATOM 706 N ASN A 49 -8.924 -4.252 2.815 1.00 0.00 N ATOM 707 CA ASN A 49 -10.256 -4.294 3.409 1.00 0.00 C ATOM 708 C ASN A 49 -11.307 -3.791 2.423 1.00 0.00 C ATOM 709 O ASN A 49 -11.129 -2.751 1.788 1.00 0.00 O ATOM 710 CB ASN A 49 -10.294 -3.452 4.686 1.00 0.00 C ATOM 711 CG ASN A 49 -9.138 -3.762 5.617 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.871 -4.923 5.928 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.445 -2.722 6.067 1.00 0.00 N ATOM 0 H ASN A 49 -8.281 -3.600 3.265 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.484 -5.330 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.271 -2.395 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.235 -3.630 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.656 -2.869 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.702 -1.777 5.783 1.00 0.00 H new ATOM 720 N ILE A 50 -12.401 -4.535 2.302 1.00 0.00 N ATOM 721 CA ILE A 50 -13.480 -4.164 1.396 1.00 0.00 C ATOM 722 C ILE A 50 -13.890 -2.709 1.597 1.00 0.00 C ATOM 723 O ILE A 50 -14.068 -1.965 0.633 1.00 0.00 O ATOM 724 CB ILE A 50 -14.714 -5.064 1.592 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.348 -6.529 1.346 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.839 -4.631 0.664 1.00 0.00 C ATOM 727 CD1 ILE A 50 -15.309 -7.508 1.983 1.00 0.00 C ATOM 0 H ILE A 50 -12.563 -5.398 2.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.101 -4.296 0.383 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.059 -4.963 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.315 -6.711 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.345 -6.714 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.704 -5.277 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.114 -3.599 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.506 -4.706 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -14.987 -8.527 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.324 -7.353 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.309 -7.351 1.580 1.00 0.00 H new ATOM 739 N ASN A 51 -14.037 -2.309 2.856 1.00 0.00 N ATOM 740 CA ASN A 51 -14.424 -0.941 3.183 1.00 0.00 C ATOM 741 C ASN A 51 -13.767 0.053 2.231 1.00 0.00 C ATOM 742 O ASN A 51 -14.418 0.965 1.723 1.00 0.00 O ATOM 743 CB ASN A 51 -14.040 -0.612 4.627 1.00 0.00 C ATOM 744 CG ASN A 51 -12.644 -0.029 4.735 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.423 1.142 4.426 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.694 -0.846 5.176 1.00 0.00 N ATOM 0 H ASN A 51 -13.894 -2.912 3.666 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.506 -0.860 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.759 0.096 5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.101 -1.517 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.736 -0.510 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.923 -1.809 5.421 1.00 0.00 H new ATOM 753 N GLY A 52 -12.472 -0.131 1.993 1.00 0.00 N ATOM 754 CA GLY A 52 -11.748 0.757 1.102 1.00 0.00 C ATOM 755 C GLY A 52 -10.312 0.970 1.537 1.00 0.00 C ATOM 756 O GLY A 52 -9.407 1.025 0.705 1.00 0.00 O ATOM 0 H GLY A 52 -11.911 -0.879 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.761 0.344 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.258 1.719 1.060 1.00 0.00 H new ATOM 760 N GLN A 53 -10.103 1.093 2.844 1.00 0.00 N ATOM 761 CA GLN A 53 -8.767 1.304 3.387 1.00 0.00 C ATOM 762 C GLN A 53 -7.926 0.037 3.274 1.00 0.00 C ATOM 763 O GLN A 53 -8.364 -1.046 3.663 1.00 0.00 O ATOM 764 CB GLN A 53 -8.851 1.745 4.849 1.00 0.00 C ATOM 765 CG GLN A 53 -9.278 3.194 5.024 1.00 0.00 C ATOM 766 CD GLN A 53 -8.297 4.170 4.403 1.00 0.00 C ATOM 767 OE1 GLN A 53 -8.280 4.361 3.187 1.00 0.00 O ATOM 768 NE2 GLN A 53 -7.475 4.794 5.238 1.00 0.00 N ATOM 0 H GLN A 53 -10.842 1.050 3.546 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.287 2.090 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.557 1.101 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.878 1.602 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.261 3.336 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.379 3.413 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.524 4.605 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.794 5.463 4.879 1.00 0.00 H new ATOM 777 N TRP A 54 -6.720 0.179 2.738 1.00 0.00 N ATOM 778 CA TRP A 54 -5.818 -0.956 2.573 1.00 0.00 C ATOM 779 C TRP A 54 -4.751 -0.966 3.663 1.00 0.00 C ATOM 780 O TRP A 54 -4.464 0.064 4.271 1.00 0.00 O ATOM 781 CB TRP A 54 -5.156 -0.912 1.195 1.00 0.00 C ATOM 782 CG TRP A 54 -6.131 -0.706 0.074 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.489 -0.837 0.135 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.821 -0.335 -1.273 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.042 -0.569 -1.094 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.040 -0.258 -1.975 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.633 -0.058 -1.955 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.102 0.083 -3.323 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.697 0.280 -3.294 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.924 0.348 -3.966 1.00 0.00 C ATOM 0 H TRP A 54 -6.343 1.068 2.410 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.406 -1.870 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.420 -0.108 1.179 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.615 -1.844 1.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.046 -1.111 1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.037 -0.597 -1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.682 -0.107 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.047 0.137 -3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.785 0.495 -3.831 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.940 0.615 -5.012 1.00 0.00 H new ATOM 801 N GLU A 55 -4.169 -2.137 3.903 1.00 0.00 N ATOM 802 CA GLU A 55 -3.134 -2.279 4.921 1.00 0.00 C ATOM 803 C GLU A 55 -1.771 -2.525 4.280 1.00 0.00 C ATOM 804 O GLU A 55 -1.551 -3.552 3.638 1.00 0.00 O ATOM 805 CB GLU A 55 -3.477 -3.427 5.872 1.00 0.00 C ATOM 806 CG GLU A 55 -2.807 -3.314 7.230 1.00 0.00 C ATOM 807 CD GLU A 55 -3.245 -4.403 8.190 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.976 -5.588 7.904 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.857 -4.070 9.227 1.00 0.00 O ATOM 0 H GLU A 55 -4.396 -2.999 3.408 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.088 -1.349 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.558 -3.461 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.185 -4.370 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.726 -3.361 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.035 -2.340 7.663 1.00 0.00 H new ATOM 816 N GLY A 56 -0.859 -1.574 4.458 1.00 0.00 N ATOM 817 CA GLY A 56 0.471 -1.705 3.892 1.00 0.00 C ATOM 818 C GLY A 56 1.558 -1.292 4.863 1.00 0.00 C ATOM 819 O GLY A 56 1.309 -0.527 5.794 1.00 0.00 O ATOM 0 H GLY A 56 -1.018 -0.715 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.633 -2.739 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.541 -1.094 2.992 1.00 0.00 H new ATOM 823 N GLU A 57 2.768 -1.799 4.646 1.00 0.00 N ATOM 824 CA GLU A 57 3.896 -1.479 5.512 1.00 0.00 C ATOM 825 C GLU A 57 4.957 -0.687 4.753 1.00 0.00 C ATOM 826 O GLU A 57 5.475 -1.142 3.732 1.00 0.00 O ATOM 827 CB GLU A 57 4.510 -2.759 6.082 1.00 0.00 C ATOM 828 CG GLU A 57 5.516 -2.510 7.193 1.00 0.00 C ATOM 829 CD GLU A 57 6.895 -2.164 6.666 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.545 -3.052 6.076 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.323 -1.005 6.843 1.00 0.00 O ATOM 0 H GLU A 57 2.992 -2.432 3.878 1.00 0.00 H new ATOM 0 HA GLU A 57 3.527 -0.865 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.712 -3.396 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.999 -3.307 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.159 -1.698 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.584 -3.398 7.822 1.00 0.00 H new ATOM 838 N VAL A 58 5.276 0.500 5.258 1.00 0.00 N ATOM 839 CA VAL A 58 6.275 1.356 4.628 1.00 0.00 C ATOM 840 C VAL A 58 7.147 2.042 5.673 1.00 0.00 C ATOM 841 O VAL A 58 6.661 2.464 6.722 1.00 0.00 O ATOM 842 CB VAL A 58 5.617 2.428 3.740 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.672 3.342 3.136 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.777 1.776 2.652 1.00 0.00 C ATOM 0 H VAL A 58 4.857 0.891 6.102 1.00 0.00 H new ATOM 0 HA VAL A 58 6.897 0.712 4.006 1.00 0.00 H new ATOM 0 HB VAL A 58 4.958 3.035 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.188 4.093 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.226 3.836 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.359 2.753 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.319 2.548 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.412 1.144 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.997 1.168 3.110 1.00 0.00 H new ATOM 854 N ASN A 59 8.439 2.152 5.379 1.00 0.00 N ATOM 855 CA ASN A 59 9.380 2.788 6.294 1.00 0.00 C ATOM 856 C ASN A 59 9.112 2.361 7.734 1.00 0.00 C ATOM 857 O ASN A 59 8.988 3.197 8.627 1.00 0.00 O ATOM 858 CB ASN A 59 9.288 4.311 6.176 1.00 0.00 C ATOM 859 CG ASN A 59 9.691 4.809 4.801 1.00 0.00 C ATOM 860 OD1 ASN A 59 10.541 4.216 4.138 1.00 0.00 O ATOM 861 ND2 ASN A 59 9.080 5.906 4.368 1.00 0.00 N ATOM 0 H ASN A 59 8.858 1.809 4.515 1.00 0.00 H new ATOM 0 HA ASN A 59 10.386 2.469 6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.267 4.628 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.929 4.771 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.310 6.290 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.381 6.365 4.952 1.00 0.00 H new ATOM 868 N GLY A 60 9.025 1.052 7.951 1.00 0.00 N ATOM 869 CA GLY A 60 8.773 0.536 9.284 1.00 0.00 C ATOM 870 C GLY A 60 7.502 1.097 9.892 1.00 0.00 C ATOM 871 O GLY A 60 7.427 1.311 11.102 1.00 0.00 O ATOM 0 H GLY A 60 9.125 0.340 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.703 -0.551 9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.618 0.777 9.929 1.00 0.00 H new ATOM 875 N ARG A 61 6.502 1.338 9.051 1.00 0.00 N ATOM 876 CA ARG A 61 5.229 1.880 9.512 1.00 0.00 C ATOM 877 C ARG A 61 4.059 1.130 8.884 1.00 0.00 C ATOM 878 O ARG A 61 4.122 0.717 7.726 1.00 0.00 O ATOM 879 CB ARG A 61 5.134 3.370 9.177 1.00 0.00 C ATOM 880 CG ARG A 61 3.886 4.039 9.728 1.00 0.00 C ATOM 881 CD ARG A 61 4.110 4.562 11.138 1.00 0.00 C ATOM 882 NE ARG A 61 4.797 5.850 11.141 1.00 0.00 N ATOM 883 CZ ARG A 61 5.082 6.529 12.247 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.741 6.043 13.433 1.00 0.00 N ATOM 885 NH2 ARG A 61 5.710 7.695 12.169 1.00 0.00 N ATOM 0 H ARG A 61 6.548 1.167 8.047 1.00 0.00 H new ATOM 0 HA ARG A 61 5.179 1.754 10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.013 3.879 9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.154 3.492 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.595 4.862 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.061 3.327 9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.150 4.662 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.695 3.838 11.705 1.00 0.00 H new ATOM 0 HE ARG A 61 5.073 6.251 10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.259 5.146 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.961 6.566 14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.975 8.072 11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.928 8.215 13.019 1.00 0.00 H new ATOM 899 N LYS A 62 2.991 0.957 9.655 1.00 0.00 N ATOM 900 CA LYS A 62 1.805 0.258 9.176 1.00 0.00 C ATOM 901 C LYS A 62 0.540 1.049 9.494 1.00 0.00 C ATOM 902 O LYS A 62 0.165 1.196 10.657 1.00 0.00 O ATOM 903 CB LYS A 62 1.719 -1.135 9.804 1.00 0.00 C ATOM 904 CG LYS A 62 2.838 -2.067 9.372 1.00 0.00 C ATOM 905 CD LYS A 62 2.681 -3.449 9.984 1.00 0.00 C ATOM 906 CE LYS A 62 1.565 -4.233 9.309 1.00 0.00 C ATOM 907 NZ LYS A 62 1.948 -4.675 7.940 1.00 0.00 N ATOM 0 H LYS A 62 2.923 1.292 10.616 1.00 0.00 H new ATOM 0 HA LYS A 62 1.887 0.158 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.738 -1.037 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.761 -1.584 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.846 -2.148 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.799 -1.645 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.619 -3.997 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.469 -3.355 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.315 -5.104 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.669 -3.615 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.384 -5.507 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.770 -3.905 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.958 -4.922 7.925 1.00 0.00 H new ATOM 921 N GLY A 63 -0.113 1.557 8.453 1.00 0.00 N ATOM 922 CA GLY A 63 -1.329 2.326 8.644 1.00 0.00 C ATOM 923 C GLY A 63 -2.240 2.280 7.433 1.00 0.00 C ATOM 924 O GLY A 63 -1.851 1.790 6.372 1.00 0.00 O ATOM 0 H GLY A 63 0.178 1.450 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.865 1.943 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.070 3.362 8.861 1.00 0.00 H new ATOM 928 N LEU A 64 -3.456 2.790 7.590 1.00 0.00 N ATOM 929 CA LEU A 64 -4.427 2.805 6.501 1.00 0.00 C ATOM 930 C LEU A 64 -4.238 4.035 5.620 1.00 0.00 C ATOM 931 O LEU A 64 -4.219 5.165 6.109 1.00 0.00 O ATOM 932 CB LEU A 64 -5.850 2.777 7.060 1.00 0.00 C ATOM 933 CG LEU A 64 -6.202 1.580 7.943 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.631 1.692 8.450 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.005 0.278 7.180 1.00 0.00 C ATOM 0 H LEU A 64 -3.794 3.199 8.461 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.266 1.916 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.010 3.688 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.548 2.803 6.223 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.533 1.579 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.863 0.831 9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.739 2.606 9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.316 1.720 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.260 -0.563 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.649 0.270 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.964 0.193 6.868 1.00 0.00 H new ATOM 947 N PHE A 65 -4.099 3.808 4.318 1.00 0.00 N ATOM 948 CA PHE A 65 -3.913 4.899 3.367 1.00 0.00 C ATOM 949 C PHE A 65 -4.986 4.864 2.283 1.00 0.00 C ATOM 950 O PHE A 65 -5.413 3.802 1.831 1.00 0.00 O ATOM 951 CB PHE A 65 -2.524 4.816 2.730 1.00 0.00 C ATOM 952 CG PHE A 65 -2.282 3.534 1.986 1.00 0.00 C ATOM 953 CD1 PHE A 65 -2.623 3.419 0.648 1.00 0.00 C ATOM 954 CD2 PHE A 65 -1.712 2.444 2.624 1.00 0.00 C ATOM 955 CE1 PHE A 65 -2.402 2.240 -0.039 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.488 1.263 1.943 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.832 1.161 0.609 1.00 0.00 C ATOM 0 H PHE A 65 -4.112 2.879 3.897 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.001 5.840 3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.396 5.654 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.769 4.923 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.067 4.260 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.440 2.519 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.675 2.162 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.045 0.421 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.656 0.240 0.074 1.00 0.00 H new ATOM 967 N PRO A 66 -5.432 6.055 1.856 1.00 0.00 N ATOM 968 CA PRO A 66 -6.461 6.189 0.820 1.00 0.00 C ATOM 969 C PRO A 66 -5.954 5.774 -0.558 1.00 0.00 C ATOM 970 O PRO A 66 -4.844 6.130 -0.955 1.00 0.00 O ATOM 971 CB PRO A 66 -6.792 7.683 0.840 1.00 0.00 C ATOM 972 CG PRO A 66 -5.564 8.336 1.373 1.00 0.00 C ATOM 973 CD PRO A 66 -4.967 7.361 2.350 1.00 0.00 C ATOM 0 HA PRO A 66 -7.319 5.546 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.033 8.048 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.656 7.889 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.863 8.563 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.805 9.280 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.879 7.421 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.309 7.551 3.367 1.00 0.00 H new ATOM 981 N PHE A 67 -6.774 5.020 -1.282 1.00 0.00 N ATOM 982 CA PHE A 67 -6.408 4.556 -2.616 1.00 0.00 C ATOM 983 C PHE A 67 -6.365 5.719 -3.603 1.00 0.00 C ATOM 984 O PHE A 67 -5.868 5.582 -4.721 1.00 0.00 O ATOM 985 CB PHE A 67 -7.400 3.497 -3.100 1.00 0.00 C ATOM 986 CG PHE A 67 -8.826 3.968 -3.105 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.327 4.690 -4.176 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.665 3.689 -2.038 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.639 5.125 -4.183 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.978 4.122 -2.039 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.465 4.840 -3.113 1.00 0.00 C ATOM 0 H PHE A 67 -7.696 4.717 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.414 4.113 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.125 3.187 -4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.319 2.617 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.685 4.915 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.289 3.127 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.018 5.687 -5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.622 3.899 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.491 5.178 -3.117 1.00 0.00 H new ATOM 1001 N THR A 68 -6.891 6.865 -3.182 1.00 0.00 N ATOM 1002 CA THR A 68 -6.916 8.051 -4.028 1.00 0.00 C ATOM 1003 C THR A 68 -5.570 8.768 -4.009 1.00 0.00 C ATOM 1004 O THR A 68 -5.160 9.366 -5.005 1.00 0.00 O ATOM 1005 CB THR A 68 -8.015 9.035 -3.584 1.00 0.00 C ATOM 1006 OG1 THR A 68 -7.851 9.360 -2.199 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.397 8.442 -3.810 1.00 0.00 C ATOM 0 H THR A 68 -7.306 6.997 -2.259 1.00 0.00 H new ATOM 0 HA THR A 68 -7.130 7.712 -5.042 1.00 0.00 H new ATOM 0 HB THR A 68 -7.924 9.941 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.015 9.856 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.156 9.155 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.530 8.223 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.497 7.522 -3.234 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.886 8.703 -2.872 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.585 9.345 -2.724 1.00 0.00 C ATOM 1017 C HIS A 69 -2.500 8.543 -3.437 1.00 0.00 C ATOM 1018 O HIS A 69 -1.411 9.053 -3.704 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.233 9.500 -1.245 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.075 10.512 -0.531 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.441 10.605 -0.696 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.737 11.478 0.355 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.907 11.586 0.057 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.893 12.131 0.706 1.00 0.00 N ATOM 0 H HIS A 69 -5.211 8.212 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.641 10.333 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.343 8.535 -0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.185 9.785 -1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.743 11.695 0.718 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.941 11.890 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.958 12.910 1.361 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.804 7.285 -3.740 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.855 6.413 -4.421 1.00 0.00 C ATOM 1035 C VAL A 70 -2.427 5.901 -5.739 1.00 0.00 C ATOM 1036 O VAL A 70 -3.641 5.772 -5.893 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.466 5.210 -3.541 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.724 5.676 -2.298 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.701 4.405 -3.165 1.00 0.00 C ATOM 0 H VAL A 70 -3.700 6.847 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.965 7.009 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.799 4.564 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.457 4.813 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.182 6.206 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.364 6.344 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.408 3.559 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.394 5.039 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.187 4.040 -4.070 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.543 5.609 -6.687 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.958 5.108 -7.992 1.00 0.00 C ATOM 1051 C LYS A 71 -1.298 3.767 -8.296 1.00 0.00 C ATOM 1052 O LYS A 71 -0.076 3.635 -8.220 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.606 6.121 -9.085 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.324 5.870 -10.400 1.00 0.00 C ATOM 1055 CD LYS A 71 -2.348 7.117 -11.268 1.00 0.00 C ATOM 1056 CE LYS A 71 -3.505 8.032 -10.898 1.00 0.00 C ATOM 1057 NZ LYS A 71 -3.506 9.280 -11.711 1.00 0.00 N ATOM 0 H LYS A 71 -0.534 5.711 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.038 4.964 -7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.850 7.123 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.530 6.098 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.829 5.061 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.345 5.544 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.407 7.656 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.431 6.830 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.447 7.503 -11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.442 8.287 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.309 9.877 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.618 9.798 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.591 9.038 -12.719 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.114 2.776 -8.640 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.608 1.447 -8.958 1.00 0.00 C ATOM 1073 C ILE A 72 -0.792 1.462 -10.246 1.00 0.00 C ATOM 1074 O ILE A 72 -1.288 1.852 -11.303 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.754 0.428 -9.101 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.540 0.323 -7.793 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.206 -0.932 -9.506 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.789 -0.394 -6.693 1.00 0.00 C ATOM 0 H ILE A 72 -3.128 2.869 -8.705 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.967 1.147 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.431 0.773 -9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.798 1.326 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.477 -0.200 -7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.028 -1.641 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.687 -0.846 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.510 -1.285 -8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.406 -0.431 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.554 -1.409 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.864 0.141 -6.475 1.00 0.00 H new ATOM 1090 N PHE A 73 0.462 1.033 -10.150 1.00 0.00 N ATOM 1091 CA PHE A 73 1.348 0.997 -11.308 1.00 0.00 C ATOM 1092 C PHE A 73 2.028 -0.364 -11.430 1.00 0.00 C ATOM 1093 O PHE A 73 2.072 -1.136 -10.472 1.00 0.00 O ATOM 1094 CB PHE A 73 2.404 2.099 -11.204 1.00 0.00 C ATOM 1095 CG PHE A 73 3.570 1.732 -10.331 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.523 1.949 -8.964 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.713 1.172 -10.878 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.594 1.612 -8.157 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.786 0.833 -10.077 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.727 1.054 -8.715 1.00 0.00 C ATOM 0 H PHE A 73 0.888 0.706 -9.283 1.00 0.00 H new ATOM 0 HA PHE A 73 0.745 1.164 -12.200 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.769 2.337 -12.203 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.937 3.003 -10.812 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.639 2.387 -8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.766 0.999 -11.943 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.544 1.785 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.671 0.395 -10.516 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.566 0.791 -8.087 1.00 0.00 H new ATOM 1110 N ASP A 74 2.554 -0.651 -12.615 1.00 0.00 N ATOM 1111 CA ASP A 74 3.233 -1.918 -12.864 1.00 0.00 C ATOM 1112 C ASP A 74 4.682 -1.860 -12.393 1.00 0.00 C ATOM 1113 O ASP A 74 5.433 -0.944 -12.727 1.00 0.00 O ATOM 1114 CB ASP A 74 3.181 -2.265 -14.353 1.00 0.00 C ATOM 1115 CG ASP A 74 4.134 -3.386 -14.720 1.00 0.00 C ATOM 1116 OD1 ASP A 74 3.974 -4.501 -14.181 1.00 0.00 O ATOM 1117 OD2 ASP A 74 5.041 -3.147 -15.545 1.00 0.00 O ATOM 0 H ASP A 74 2.524 -0.024 -13.419 1.00 0.00 H new ATOM 0 HA ASP A 74 2.718 -2.695 -12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.165 -2.554 -14.620 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.425 -1.378 -14.938 1.00 0.00 H new ATOM 1122 N PRO A 75 5.086 -2.862 -11.597 1.00 0.00 N ATOM 1123 CA PRO A 75 6.449 -2.947 -11.062 1.00 0.00 C ATOM 1124 C PRO A 75 7.477 -3.260 -12.143 1.00 0.00 C ATOM 1125 O PRO A 75 8.681 -3.138 -11.920 1.00 0.00 O ATOM 1126 CB PRO A 75 6.363 -4.097 -10.055 1.00 0.00 C ATOM 1127 CG PRO A 75 5.230 -4.937 -10.536 1.00 0.00 C ATOM 1128 CD PRO A 75 4.245 -3.987 -11.158 1.00 0.00 C ATOM 0 HA PRO A 75 6.776 -2.003 -10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.292 -4.666 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.181 -3.727 -9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.572 -5.675 -11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.775 -5.487 -9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.718 -4.445 -11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.488 -3.667 -10.442 1.00 0.00 H new ATOM 1136 N GLN A 76 6.994 -3.664 -13.313 1.00 0.00 N ATOM 1137 CA GLN A 76 7.873 -3.995 -14.429 1.00 0.00 C ATOM 1138 C GLN A 76 8.870 -5.079 -14.033 1.00 0.00 C ATOM 1139 O GLN A 76 10.050 -5.006 -14.374 1.00 0.00 O ATOM 1140 CB GLN A 76 8.620 -2.748 -14.904 1.00 0.00 C ATOM 1141 CG GLN A 76 7.795 -1.855 -15.816 1.00 0.00 C ATOM 1142 CD GLN A 76 8.646 -0.878 -16.603 1.00 0.00 C ATOM 1143 OE1 GLN A 76 9.312 -1.254 -17.568 1.00 0.00 O ATOM 1144 NE2 GLN A 76 8.628 0.385 -16.195 1.00 0.00 N ATOM 0 H GLN A 76 5.999 -3.770 -13.513 1.00 0.00 H new ATOM 0 HA GLN A 76 7.257 -4.374 -15.245 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.937 -2.172 -14.035 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.524 -3.055 -15.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.227 -2.476 -16.509 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.072 -1.301 -15.218 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.062 0.653 -15.390 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.181 1.088 -16.686 1.00 0.00 H new ATOM 1153 N ASN A 77 8.388 -6.085 -13.310 1.00 0.00 N ATOM 1154 CA ASN A 77 9.237 -7.184 -12.867 1.00 0.00 C ATOM 1155 C ASN A 77 9.663 -8.053 -14.047 1.00 0.00 C ATOM 1156 O ASN A 77 8.840 -8.521 -14.834 1.00 0.00 O ATOM 1157 CB ASN A 77 8.504 -8.037 -11.830 1.00 0.00 C ATOM 1158 CG ASN A 77 8.406 -7.350 -10.481 1.00 0.00 C ATOM 1159 OD1 ASN A 77 7.312 -7.064 -9.995 1.00 0.00 O ATOM 1160 ND2 ASN A 77 9.554 -7.082 -9.870 1.00 0.00 N ATOM 0 H ASN A 77 7.413 -6.161 -13.019 1.00 0.00 H new ATOM 0 HA ASN A 77 10.131 -6.758 -12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.501 -8.264 -12.193 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.023 -8.988 -11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.552 -6.621 -8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.438 -7.337 -10.310 1.00 0.00 H new ATOM 1167 N PRO A 78 10.979 -8.275 -14.173 1.00 0.00 N ATOM 1168 CA PRO A 78 11.544 -9.090 -15.253 1.00 0.00 C ATOM 1169 C PRO A 78 11.210 -10.570 -15.099 1.00 0.00 C ATOM 1170 O PRO A 78 11.394 -11.357 -16.027 1.00 0.00 O ATOM 1171 CB PRO A 78 13.052 -8.865 -15.115 1.00 0.00 C ATOM 1172 CG PRO A 78 13.252 -8.503 -13.684 1.00 0.00 C ATOM 1173 CD PRO A 78 12.018 -7.749 -13.272 1.00 0.00 C ATOM 0 HA PRO A 78 11.144 -8.809 -16.227 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.612 -9.762 -15.378 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.396 -8.070 -15.776 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.388 -9.394 -13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.144 -7.890 -13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.770 -7.926 -12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.146 -6.673 -13.391 1.00 0.00 H new ATOM 1181 N ASP A 79 10.718 -10.941 -13.922 1.00 0.00 N ATOM 1182 CA ASP A 79 10.356 -12.326 -13.647 1.00 0.00 C ATOM 1183 C ASP A 79 9.076 -12.710 -14.383 1.00 0.00 C ATOM 1184 O ASP A 79 9.055 -13.673 -15.148 1.00 0.00 O ATOM 1185 CB ASP A 79 10.179 -12.540 -12.143 1.00 0.00 C ATOM 1186 CG ASP A 79 9.541 -11.347 -11.460 1.00 0.00 C ATOM 1187 OD1 ASP A 79 8.305 -11.196 -11.561 1.00 0.00 O ATOM 1188 OD2 ASP A 79 10.277 -10.565 -10.823 1.00 0.00 O ATOM 0 H ASP A 79 10.561 -10.301 -13.143 1.00 0.00 H new ATOM 0 HA ASP A 79 11.164 -12.965 -14.004 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.563 -13.424 -11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.151 -12.738 -11.690 1.00 0.00 H new ATOM 1193 N GLU A 80 8.012 -11.950 -14.144 1.00 0.00 N ATOM 1194 CA GLU A 80 6.728 -12.213 -14.782 1.00 0.00 C ATOM 1195 C GLU A 80 6.747 -11.775 -16.244 1.00 0.00 C ATOM 1196 O GLU A 80 6.709 -12.604 -17.152 1.00 0.00 O ATOM 1197 CB GLU A 80 5.604 -11.489 -14.037 1.00 0.00 C ATOM 1198 CG GLU A 80 4.235 -12.113 -14.246 1.00 0.00 C ATOM 1199 CD GLU A 80 4.078 -13.434 -13.519 1.00 0.00 C ATOM 1200 OE1 GLU A 80 3.913 -13.414 -12.282 1.00 0.00 O ATOM 1201 OE2 GLU A 80 4.120 -14.488 -14.188 1.00 0.00 O ATOM 0 H GLU A 80 8.014 -11.148 -13.514 1.00 0.00 H new ATOM 0 HA GLU A 80 6.546 -13.287 -14.744 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.832 -11.482 -12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.574 -10.449 -14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.468 -11.420 -13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.069 -12.268 -15.312 1.00 0.00 H new ATOM 1208 N ASN A 81 6.807 -10.465 -16.462 1.00 0.00 N ATOM 1209 CA ASN A 81 6.830 -9.916 -17.813 1.00 0.00 C ATOM 1210 C ASN A 81 8.264 -9.758 -18.311 1.00 0.00 C ATOM 1211 O ASN A 81 9.179 -9.505 -17.528 1.00 0.00 O ATOM 1212 CB ASN A 81 6.114 -8.564 -17.849 1.00 0.00 C ATOM 1213 CG ASN A 81 5.637 -8.199 -19.241 1.00 0.00 C ATOM 1214 OD1 ASN A 81 5.830 -8.955 -20.194 1.00 0.00 O ATOM 1215 ND2 ASN A 81 5.009 -7.036 -19.365 1.00 0.00 N ATOM 0 H ASN A 81 6.841 -9.765 -15.721 1.00 0.00 H new ATOM 0 HA ASN A 81 6.310 -10.613 -18.471 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.261 -8.590 -17.171 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.788 -7.789 -17.484 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.664 -6.737 -20.277 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.871 -6.441 -18.548 1.00 0.00 H new ATOM 1222 N GLU A 82 8.450 -9.909 -19.619 1.00 0.00 N ATOM 1223 CA GLU A 82 9.772 -9.783 -20.221 1.00 0.00 C ATOM 1224 C GLU A 82 9.695 -9.042 -21.553 1.00 0.00 C ATOM 1225 O GLU A 82 8.634 -8.964 -22.172 1.00 0.00 O ATOM 1226 CB GLU A 82 10.395 -11.165 -20.429 1.00 0.00 C ATOM 1227 CG GLU A 82 11.878 -11.121 -20.760 1.00 0.00 C ATOM 1228 CD GLU A 82 12.603 -12.392 -20.363 1.00 0.00 C ATOM 1229 OE1 GLU A 82 12.607 -13.347 -21.167 1.00 0.00 O ATOM 1230 OE2 GLU A 82 13.164 -12.431 -19.249 1.00 0.00 O ATOM 0 H GLU A 82 7.703 -10.118 -20.281 1.00 0.00 H new ATOM 0 HA GLU A 82 10.400 -9.208 -19.541 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.250 -11.759 -19.527 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.867 -11.675 -21.234 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.003 -10.955 -21.830 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.335 -10.272 -20.251 1.00 0.00 H new ATOM 1237 N SER A 83 10.828 -8.498 -21.986 1.00 0.00 N ATOM 1238 CA SER A 83 10.889 -7.758 -23.242 1.00 0.00 C ATOM 1239 C SER A 83 11.022 -8.710 -24.427 1.00 0.00 C ATOM 1240 O SER A 83 11.158 -9.921 -24.253 1.00 0.00 O ATOM 1241 CB SER A 83 12.065 -6.779 -23.225 1.00 0.00 C ATOM 1242 OG SER A 83 13.301 -7.468 -23.165 1.00 0.00 O ATOM 0 H SER A 83 11.715 -8.555 -21.486 1.00 0.00 H new ATOM 0 HA SER A 83 9.961 -7.197 -23.351 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.036 -6.155 -24.118 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.975 -6.112 -22.367 1.00 0.00 H new ATOM 0 HG SER A 83 14.036 -6.820 -23.157 1.00 0.00 H new ATOM 1248 N GLY A 84 10.983 -8.153 -25.633 1.00 0.00 N ATOM 1249 CA GLY A 84 11.100 -8.965 -26.830 1.00 0.00 C ATOM 1250 C GLY A 84 12.374 -8.681 -27.601 1.00 0.00 C ATOM 1251 O GLY A 84 12.922 -7.580 -27.553 1.00 0.00 O ATOM 0 H GLY A 84 10.872 -7.153 -25.803 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.073 -10.019 -26.554 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.240 -8.782 -27.475 1.00 0.00 H new ATOM 1255 N PRO A 85 12.866 -9.693 -28.331 1.00 0.00 N ATOM 1256 CA PRO A 85 14.090 -9.572 -29.128 1.00 0.00 C ATOM 1257 C PRO A 85 13.907 -8.660 -30.336 1.00 0.00 C ATOM 1258 O PRO A 85 14.881 -8.207 -30.937 1.00 0.00 O ATOM 1259 CB PRO A 85 14.364 -11.009 -29.579 1.00 0.00 C ATOM 1260 CG PRO A 85 13.030 -11.671 -29.562 1.00 0.00 C ATOM 1261 CD PRO A 85 12.265 -11.033 -28.435 1.00 0.00 C ATOM 0 HA PRO A 85 14.905 -9.128 -28.557 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.806 -11.034 -30.575 1.00 0.00 H new ATOM 0 HB3 PRO A 85 15.063 -11.508 -28.908 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.514 -11.532 -30.512 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.129 -12.745 -29.407 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.198 -10.979 -28.653 1.00 0.00 H new ATOM 0 HD3 PRO A 85 12.373 -11.595 -27.507 1.00 0.00 H new ATOM 1269 N SER A 86 12.653 -8.393 -30.686 1.00 0.00 N ATOM 1270 CA SER A 86 12.343 -7.537 -31.825 1.00 0.00 C ATOM 1271 C SER A 86 12.519 -6.066 -31.463 1.00 0.00 C ATOM 1272 O SER A 86 13.172 -5.312 -32.184 1.00 0.00 O ATOM 1273 CB SER A 86 10.911 -7.788 -32.304 1.00 0.00 C ATOM 1274 OG SER A 86 10.810 -9.030 -32.979 1.00 0.00 O ATOM 0 H SER A 86 11.835 -8.757 -30.197 1.00 0.00 H new ATOM 0 HA SER A 86 13.036 -7.781 -32.630 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.232 -7.777 -31.452 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.600 -6.982 -32.969 1.00 0.00 H new ATOM 0 HG SER A 86 9.886 -9.168 -33.274 1.00 0.00 H new ATOM 1280 N SER A 87 11.932 -5.665 -30.340 1.00 0.00 N ATOM 1281 CA SER A 87 12.020 -4.283 -29.883 1.00 0.00 C ATOM 1282 C SER A 87 11.367 -3.336 -30.885 1.00 0.00 C ATOM 1283 O SER A 87 11.891 -2.261 -31.173 1.00 0.00 O ATOM 1284 CB SER A 87 13.482 -3.887 -29.668 1.00 0.00 C ATOM 1285 OG SER A 87 13.587 -2.777 -28.794 1.00 0.00 O ATOM 0 H SER A 87 11.390 -6.277 -29.730 1.00 0.00 H new ATOM 0 HA SER A 87 11.486 -4.205 -28.936 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.034 -4.732 -29.256 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.941 -3.644 -30.626 1.00 0.00 H new ATOM 0 HG SER A 87 13.079 -2.023 -29.160 1.00 0.00 H new ATOM 1291 N GLY A 88 10.217 -3.745 -31.413 1.00 0.00 N ATOM 1292 CA GLY A 88 9.510 -2.923 -32.378 1.00 0.00 C ATOM 1293 C GLY A 88 8.209 -2.373 -31.828 1.00 0.00 C ATOM 1294 O GLY A 88 7.127 -2.775 -32.255 1.00 0.00 O ATOM 0 H GLY A 88 9.763 -4.631 -31.190 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.150 -2.096 -32.684 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.303 -3.513 -33.271 1.00 0.00 H new TER 1298 GLY A 88