USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1035 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 74 LYS NZ :NH3+ -172:sc= 0.0377 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.0382 X(o=0.076,f=-0.12) USER MOD Set 2.1: A 52 GLN : amide:sc= -4.44! C(o=-8.9!,f=-12!) USER MOD Set 2.2: A 56 THR OG1 : rot -120:sc= -0.797 USER MOD Set 2.3: A 107 MET CE :methyl -140:sc= -3.7! (180deg=-7.64!) USER MOD Set 3.1: A 28 GLN : amide:sc= 0.0688 X(o=0.069,f=-0.35) USER MOD Set 3.2: A 31 HIS : no HD1:sc=-8.49e-05 K(o=0.069,f=-1.7!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -121:sc= 0.296 USER MOD Single : A 6 ASN : amide:sc= -0.0942 K(o=-0.094,f=-0.6) USER MOD Single : A 7 THR OG1 : rot 135:sc= 0.624 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.2) USER MOD Single : A 16 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 134:sc= 0.727 USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 69:sc= -2.87! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.7) USER MOD Single : A 45 SER OG : rot -97:sc= 1.15 USER MOD Single : A 47 HIS : no HE2:sc= 0.223 K(o=0.22,f=-2.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.62) USER MOD Single : A 62 THR OG1 : rot -150:sc= 0 USER MOD Single : A 64 SER OG : rot -109:sc= -0.185 USER MOD Single : A 70 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.6!) USER MOD Single : A 83 SER OG : rot -36:sc= 0.403 USER MOD Single : A 84 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-3.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 174:sc= -2.04! USER MOD Single : A 89 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -114:sc= 0 (180deg=-1.77!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.8) USER MOD Single : A 121 LYS NZ :NH3+ -152:sc= -0.225 (180deg=-0.935) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.824 -9.991 -13.610 1.00 0.00 N ATOM 2 CA SER A 1 -11.436 -9.788 -12.190 1.00 0.00 C ATOM 3 C SER A 1 -10.625 -10.970 -11.667 1.00 0.00 C ATOM 4 O SER A 1 -10.604 -12.039 -12.275 1.00 0.00 O ATOM 5 CB SER A 1 -12.707 -9.611 -11.358 1.00 0.00 C ATOM 6 OG SER A 1 -12.497 -8.700 -10.292 1.00 0.00 O ATOM 0 H1 SER A 1 -12.374 -9.173 -13.940 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.968 -10.091 -14.193 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.401 -10.852 -13.692 1.00 0.00 H new ATOM 0 HA SER A 1 -10.810 -8.899 -12.113 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.515 -9.250 -11.995 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.022 -10.576 -10.959 1.00 0.00 H new ATOM 0 HG SER A 1 -12.682 -9.146 -9.439 1.00 0.00 H new ATOM 14 N GLY A 2 -9.958 -10.767 -10.534 1.00 0.00 N ATOM 15 CA GLY A 2 -9.155 -11.824 -9.947 1.00 0.00 C ATOM 16 C GLY A 2 -8.425 -11.371 -8.698 1.00 0.00 C ATOM 17 O GLY A 2 -7.299 -10.877 -8.773 1.00 0.00 O ATOM 0 H GLY A 2 -9.960 -9.890 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.797 -12.670 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.430 -12.175 -10.681 1.00 0.00 H new ATOM 21 N PHE A 3 -9.066 -11.539 -7.546 1.00 0.00 N ATOM 22 CA PHE A 3 -8.472 -11.144 -6.274 1.00 0.00 C ATOM 23 C PHE A 3 -7.642 -12.281 -5.685 1.00 0.00 C ATOM 24 O PHE A 3 -8.070 -13.436 -5.680 1.00 0.00 O ATOM 25 CB PHE A 3 -9.562 -10.729 -5.283 1.00 0.00 C ATOM 26 CG PHE A 3 -10.671 -9.930 -5.908 1.00 0.00 C ATOM 27 CD1 PHE A 3 -10.532 -8.566 -6.108 1.00 0.00 C ATOM 28 CD2 PHE A 3 -11.852 -10.543 -6.296 1.00 0.00 C ATOM 29 CE1 PHE A 3 -11.551 -7.828 -6.682 1.00 0.00 C ATOM 30 CE2 PHE A 3 -12.873 -9.811 -6.870 1.00 0.00 C ATOM 31 CZ PHE A 3 -12.722 -8.452 -7.064 1.00 0.00 C ATOM 0 H PHE A 3 -9.998 -11.946 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.815 -10.294 -6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -9.984 -11.623 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.110 -10.143 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.617 -8.074 -5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.975 -11.606 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.431 -6.765 -6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.789 -10.301 -7.167 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.519 -7.878 -7.514 1.00 0.00 H new ATOM 41 N VAL A 4 -6.455 -11.946 -5.188 1.00 0.00 N ATOM 42 CA VAL A 4 -5.567 -12.940 -4.596 1.00 0.00 C ATOM 43 C VAL A 4 -5.923 -13.190 -3.135 1.00 0.00 C ATOM 44 O VAL A 4 -5.524 -12.432 -2.250 1.00 0.00 O ATOM 45 CB VAL A 4 -4.091 -12.506 -4.688 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.171 -13.704 -4.510 1.00 0.00 C ATOM 47 CG2 VAL A 4 -3.819 -11.809 -6.013 1.00 0.00 C ATOM 0 H VAL A 4 -6.087 -10.995 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.700 -13.861 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.889 -11.798 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.133 -13.379 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.347 -14.156 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.373 -14.437 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.772 -11.510 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.038 -12.491 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.452 -10.926 -6.096 1.00 0.00 H new ATOM 57 N CYS A 5 -6.678 -14.258 -2.893 1.00 0.00 N ATOM 58 CA CYS A 5 -7.095 -14.617 -1.541 1.00 0.00 C ATOM 59 C CYS A 5 -7.851 -13.466 -0.878 1.00 0.00 C ATOM 60 O CYS A 5 -9.010 -13.209 -1.204 1.00 0.00 O ATOM 61 CB CYS A 5 -5.882 -15.014 -0.696 1.00 0.00 C ATOM 62 SG CYS A 5 -4.889 -16.365 -1.408 1.00 0.00 S ATOM 0 H CYS A 5 -7.014 -14.892 -3.618 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.769 -15.471 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.244 -14.140 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.225 -15.313 0.295 1.00 0.00 H new ATOM 67 N ASN A 6 -7.190 -12.774 0.051 1.00 0.00 N ATOM 68 CA ASN A 6 -7.803 -11.652 0.755 1.00 0.00 C ATOM 69 C ASN A 6 -6.808 -11.010 1.718 1.00 0.00 C ATOM 70 O ASN A 6 -7.076 -10.886 2.913 1.00 0.00 O ATOM 71 CB ASN A 6 -9.043 -12.117 1.523 1.00 0.00 C ATOM 72 CG ASN A 6 -10.140 -11.070 1.536 1.00 0.00 C ATOM 73 OD1 ASN A 6 -10.426 -10.441 0.518 1.00 0.00 O ATOM 74 ND2 ASN A 6 -10.761 -10.878 2.695 1.00 0.00 N ATOM 0 H ASN A 6 -6.230 -12.973 0.332 1.00 0.00 H new ATOM 0 HA ASN A 6 -8.101 -10.910 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.424 -13.033 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.763 -12.359 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.507 -10.186 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.491 -11.422 3.514 1.00 0.00 H new ATOM 81 N THR A 7 -5.658 -10.604 1.188 1.00 0.00 N ATOM 82 CA THR A 7 -4.623 -9.976 2.000 1.00 0.00 C ATOM 83 C THR A 7 -5.109 -8.652 2.578 1.00 0.00 C ATOM 84 O THR A 7 -4.539 -8.139 3.539 1.00 0.00 O ATOM 85 CB THR A 7 -3.357 -9.748 1.167 1.00 0.00 C ATOM 86 OG1 THR A 7 -2.209 -9.728 1.997 1.00 0.00 O ATOM 87 CG2 THR A 7 -3.377 -8.453 0.380 1.00 0.00 C ATOM 0 H THR A 7 -5.420 -10.699 0.201 1.00 0.00 H new ATOM 0 HA THR A 7 -4.391 -10.648 2.826 1.00 0.00 H new ATOM 0 HB THR A 7 -3.324 -10.579 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.501 -10.269 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.450 -8.357 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.223 -8.458 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.472 -7.612 1.066 1.00 0.00 H new ATOM 95 N CYS A 8 -6.161 -8.102 1.980 1.00 0.00 N ATOM 96 CA CYS A 8 -6.721 -6.833 2.428 1.00 0.00 C ATOM 97 C CYS A 8 -8.038 -7.045 3.178 1.00 0.00 C ATOM 98 O CYS A 8 -9.102 -7.141 2.566 1.00 0.00 O ATOM 99 CB CYS A 8 -6.935 -5.908 1.228 1.00 0.00 C ATOM 100 SG CYS A 8 -5.732 -6.153 -0.120 1.00 0.00 S ATOM 0 H CYS A 8 -6.643 -8.517 1.183 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.015 -6.369 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.940 -6.064 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.881 -4.873 1.566 1.00 0.00 H new ATOM 105 N PRO A 9 -7.978 -7.130 4.523 1.00 0.00 N ATOM 106 CA PRO A 9 -9.150 -7.339 5.364 1.00 0.00 C ATOM 107 C PRO A 9 -9.772 -6.033 5.855 1.00 0.00 C ATOM 108 O PRO A 9 -10.820 -5.611 5.366 1.00 0.00 O ATOM 109 CB PRO A 9 -8.569 -8.133 6.532 1.00 0.00 C ATOM 110 CG PRO A 9 -7.139 -7.695 6.643 1.00 0.00 C ATOM 111 CD PRO A 9 -6.757 -7.039 5.333 1.00 0.00 C ATOM 0 HA PRO A 9 -9.961 -7.838 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.114 -7.930 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.638 -9.206 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.016 -6.997 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.492 -8.548 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.451 -6.003 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.922 -7.554 4.857 1.00 0.00 H new ATOM 119 N GLU A 10 -9.118 -5.396 6.824 1.00 0.00 N ATOM 120 CA GLU A 10 -9.602 -4.138 7.380 1.00 0.00 C ATOM 121 C GLU A 10 -8.897 -2.969 6.711 1.00 0.00 C ATOM 122 O GLU A 10 -7.670 -2.951 6.626 1.00 0.00 O ATOM 123 CB GLU A 10 -9.368 -4.096 8.891 1.00 0.00 C ATOM 124 CG GLU A 10 -10.646 -3.947 9.701 1.00 0.00 C ATOM 125 CD GLU A 10 -10.378 -3.770 11.183 1.00 0.00 C ATOM 126 OE1 GLU A 10 -9.625 -4.587 11.752 1.00 0.00 O ATOM 127 OE2 GLU A 10 -10.923 -2.814 11.774 1.00 0.00 O ATOM 0 H GLU A 10 -8.250 -5.733 7.240 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.673 -4.063 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.858 -5.010 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.701 -3.266 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.208 -3.089 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.272 -4.827 9.551 1.00 0.00 H new ATOM 134 N LYS A 11 -9.679 -2.008 6.221 1.00 0.00 N ATOM 135 CA LYS A 11 -9.127 -0.844 5.535 1.00 0.00 C ATOM 136 C LYS A 11 -8.529 -1.272 4.200 1.00 0.00 C ATOM 137 O LYS A 11 -9.104 -1.012 3.146 1.00 0.00 O ATOM 138 CB LYS A 11 -8.067 -0.155 6.397 1.00 0.00 C ATOM 139 CG LYS A 11 -8.548 0.177 7.801 1.00 0.00 C ATOM 140 CD LYS A 11 -7.550 -0.278 8.853 1.00 0.00 C ATOM 141 CE LYS A 11 -8.240 -0.618 10.165 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.300 -1.229 11.145 1.00 0.00 N ATOM 0 H LYS A 11 -10.697 -2.014 6.287 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.931 -0.130 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.190 -0.799 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.750 0.764 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.706 1.252 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.511 -0.302 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.008 -1.151 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.813 0.507 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.673 0.286 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.064 -1.306 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.809 -1.446 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.906 -2.106 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.527 -0.563 11.347 1.00 0.00 H new ATOM 155 N TRP A 12 -7.382 -1.946 4.268 1.00 0.00 N ATOM 156 CA TRP A 12 -6.691 -2.451 3.077 1.00 0.00 C ATOM 157 C TRP A 12 -7.706 -2.879 2.013 1.00 0.00 C ATOM 158 O TRP A 12 -8.647 -3.615 2.310 1.00 0.00 O ATOM 159 CB TRP A 12 -5.786 -3.638 3.446 1.00 0.00 C ATOM 160 CG TRP A 12 -4.953 -3.437 4.690 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.862 -2.310 5.461 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.085 -4.402 5.300 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.005 -2.521 6.512 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.513 -3.795 6.435 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.739 -5.721 4.999 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.616 -4.463 7.265 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.848 -6.382 5.823 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.296 -5.753 6.945 1.00 0.00 C ATOM 0 H TRP A 12 -6.905 -2.158 5.145 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.073 -1.650 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.408 -4.523 3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.119 -3.842 2.608 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.389 -1.387 5.270 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.773 -1.838 7.234 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.161 -6.216 4.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.188 -3.979 8.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.573 -7.402 5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.604 -6.297 7.570 1.00 0.00 H new ATOM 179 N ILE A 13 -7.531 -2.398 0.781 1.00 0.00 N ATOM 180 CA ILE A 13 -8.461 -2.725 -0.303 1.00 0.00 C ATOM 181 C ILE A 13 -7.747 -3.234 -1.555 1.00 0.00 C ATOM 182 O ILE A 13 -6.855 -2.577 -2.083 1.00 0.00 O ATOM 183 CB ILE A 13 -9.317 -1.501 -0.691 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.089 -0.346 0.299 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.783 -1.894 -0.755 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.352 0.391 0.704 1.00 0.00 C ATOM 0 H ILE A 13 -6.761 -1.786 0.510 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.098 -3.521 0.082 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.014 -1.153 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.610 -0.741 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.394 0.366 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.381 -1.025 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.917 -2.677 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.104 -2.262 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.100 1.188 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.823 0.819 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.042 -0.305 1.181 1.00 0.00 H new ATOM 198 N ASN A 14 -8.168 -4.403 -2.037 1.00 0.00 N ATOM 199 CA ASN A 14 -7.584 -5.001 -3.237 1.00 0.00 C ATOM 200 C ASN A 14 -8.514 -4.838 -4.436 1.00 0.00 C ATOM 201 O ASN A 14 -9.733 -4.753 -4.281 1.00 0.00 O ATOM 202 CB ASN A 14 -7.283 -6.483 -3.009 1.00 0.00 C ATOM 203 CG ASN A 14 -7.026 -7.231 -4.303 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.758 -8.155 -4.655 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.979 -6.836 -5.017 1.00 0.00 N ATOM 0 H ASN A 14 -8.913 -4.956 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.650 -4.480 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.413 -6.578 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.121 -6.944 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.755 -7.304 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.399 -6.065 -4.687 1.00 0.00 H new ATOM 212 N PHE A 15 -7.932 -4.790 -5.631 1.00 0.00 N ATOM 213 CA PHE A 15 -8.708 -4.633 -6.855 1.00 0.00 C ATOM 214 C PHE A 15 -8.333 -5.704 -7.881 1.00 0.00 C ATOM 215 O PHE A 15 -8.294 -6.891 -7.557 1.00 0.00 O ATOM 216 CB PHE A 15 -8.494 -3.234 -7.442 1.00 0.00 C ATOM 217 CG PHE A 15 -8.401 -2.154 -6.403 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.543 -1.532 -5.926 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.170 -1.760 -5.905 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.459 -0.537 -4.970 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.079 -0.767 -4.951 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.225 -0.154 -4.482 1.00 0.00 C ATOM 0 H PHE A 15 -6.925 -4.858 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.763 -4.754 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.580 -3.234 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.316 -3.004 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.510 -1.828 -6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.271 -2.236 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.357 -0.060 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.113 -0.469 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.156 0.623 -3.735 1.00 0.00 H new ATOM 232 N GLN A 16 -8.059 -5.280 -9.116 1.00 0.00 N ATOM 233 CA GLN A 16 -7.689 -6.206 -10.181 1.00 0.00 C ATOM 234 C GLN A 16 -6.580 -7.148 -9.722 1.00 0.00 C ATOM 235 O GLN A 16 -6.661 -8.360 -9.920 1.00 0.00 O ATOM 236 CB GLN A 16 -7.237 -5.437 -11.423 1.00 0.00 C ATOM 237 CG GLN A 16 -6.332 -4.255 -11.111 1.00 0.00 C ATOM 238 CD GLN A 16 -6.907 -2.938 -11.594 1.00 0.00 C ATOM 239 OE1 GLN A 16 -7.401 -2.838 -12.717 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.843 -1.918 -10.746 1.00 0.00 N ATOM 0 H GLN A 16 -8.087 -4.301 -9.401 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.568 -6.801 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.712 -6.119 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.116 -5.079 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.167 -4.202 -10.035 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.359 -4.415 -11.575 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.425 -2.046 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.212 -1.006 -11.016 1.00 0.00 H new ATOM 249 N ARG A 17 -5.547 -6.583 -9.104 1.00 0.00 N ATOM 250 CA ARG A 17 -4.427 -7.376 -8.614 1.00 0.00 C ATOM 251 C ARG A 17 -3.563 -6.570 -7.652 1.00 0.00 C ATOM 252 O ARG A 17 -2.576 -7.075 -7.115 1.00 0.00 O ATOM 253 CB ARG A 17 -3.579 -7.882 -9.781 1.00 0.00 C ATOM 254 CG ARG A 17 -3.108 -6.778 -10.713 1.00 0.00 C ATOM 255 CD ARG A 17 -1.632 -6.923 -11.049 1.00 0.00 C ATOM 256 NE ARG A 17 -1.241 -6.078 -12.174 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.248 -6.374 -13.007 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.454 -7.487 -12.841 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.045 -5.554 -14.008 1.00 0.00 N ATOM 0 H ARG A 17 -5.463 -5.581 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.834 -8.231 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.710 -8.409 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.158 -8.607 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.695 -6.801 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.282 -5.808 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.034 -6.663 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.415 -7.965 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.758 -5.213 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.233 -8.120 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.215 -7.710 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.492 -4.696 -14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.807 -5.781 -14.647 1.00 0.00 H new ATOM 273 N LYS A 18 -3.945 -5.319 -7.430 1.00 0.00 N ATOM 274 CA LYS A 18 -3.220 -4.447 -6.529 1.00 0.00 C ATOM 275 C LYS A 18 -4.082 -4.120 -5.322 1.00 0.00 C ATOM 276 O LYS A 18 -5.305 -4.199 -5.383 1.00 0.00 O ATOM 277 CB LYS A 18 -2.818 -3.161 -7.246 1.00 0.00 C ATOM 278 CG LYS A 18 -3.951 -2.158 -7.358 1.00 0.00 C ATOM 279 CD LYS A 18 -3.840 -1.329 -8.626 1.00 0.00 C ATOM 280 CE LYS A 18 -3.935 0.158 -8.329 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.647 0.985 -9.534 1.00 0.00 N ATOM 0 H LYS A 18 -4.759 -4.888 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.317 -4.958 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.986 -2.701 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.460 -3.407 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.906 -2.684 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.942 -1.499 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.892 -1.543 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.632 -1.614 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.933 0.391 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.233 0.415 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.722 1.993 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.685 0.782 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.333 0.758 -10.283 1.00 0.00 H new ATOM 294 N CYS A 19 -3.441 -3.753 -4.231 1.00 0.00 N ATOM 295 CA CYS A 19 -4.157 -3.418 -3.014 1.00 0.00 C ATOM 296 C CYS A 19 -3.708 -2.071 -2.474 1.00 0.00 C ATOM 297 O CYS A 19 -2.653 -1.553 -2.842 1.00 0.00 O ATOM 298 CB CYS A 19 -3.952 -4.509 -1.957 1.00 0.00 C ATOM 299 SG CYS A 19 -4.965 -4.301 -0.453 1.00 0.00 S ATOM 0 H CYS A 19 -2.426 -3.679 -4.161 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.219 -3.354 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.180 -5.477 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.900 -4.529 -1.672 1.00 0.00 H new ATOM 304 N TYR A 20 -4.518 -1.522 -1.589 1.00 0.00 N ATOM 305 CA TYR A 20 -4.239 -0.247 -0.961 1.00 0.00 C ATOM 306 C TYR A 20 -4.264 -0.425 0.539 1.00 0.00 C ATOM 307 O TYR A 20 -4.917 -1.325 1.063 1.00 0.00 O ATOM 308 CB TYR A 20 -5.262 0.820 -1.380 1.00 0.00 C ATOM 309 CG TYR A 20 -4.919 1.545 -2.665 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.313 0.884 -3.727 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.205 2.897 -2.813 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.001 1.549 -4.897 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.896 3.569 -3.981 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.294 2.890 -5.020 1.00 0.00 C ATOM 315 OH TYR A 20 -3.985 3.555 -6.183 1.00 0.00 O ATOM 0 H TYR A 20 -5.392 -1.951 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.255 0.094 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.237 0.346 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.355 1.552 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.082 -0.167 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.677 3.432 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.529 1.020 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.125 4.620 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.749 4.102 -6.460 1.00 0.00 H new ATOM 325 N TYR A 21 -3.541 0.428 1.214 1.00 0.00 N ATOM 326 CA TYR A 21 -3.446 0.386 2.657 1.00 0.00 C ATOM 327 C TYR A 21 -4.028 1.646 3.248 1.00 0.00 C ATOM 328 O TYR A 21 -3.510 2.721 3.018 1.00 0.00 O ATOM 329 CB TYR A 21 -1.983 0.272 3.096 1.00 0.00 C ATOM 330 CG TYR A 21 -1.442 -1.136 3.113 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.593 -1.934 4.236 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.767 -1.660 2.018 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.091 -3.217 4.269 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.259 -2.945 2.041 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.424 -3.721 3.171 1.00 0.00 C ATOM 336 OH TYR A 21 0.080 -5.001 3.203 1.00 0.00 O ATOM 0 H TYR A 21 -2.998 1.175 0.782 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.001 -0.484 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.369 0.876 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.882 0.698 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.112 -1.544 5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.637 -1.053 1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.219 -3.826 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.263 -3.339 1.182 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.206 -5.485 2.400 1.00 0.00 H new ATOM 346 N PHE A 22 -5.082 1.515 4.023 1.00 0.00 N ATOM 347 CA PHE A 22 -5.687 2.667 4.660 1.00 0.00 C ATOM 348 C PHE A 22 -5.757 2.402 6.154 1.00 0.00 C ATOM 349 O PHE A 22 -6.824 2.471 6.764 1.00 0.00 O ATOM 350 CB PHE A 22 -7.090 2.935 4.105 1.00 0.00 C ATOM 351 CG PHE A 22 -7.142 3.209 2.623 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.105 3.867 1.983 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.239 2.813 1.873 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.160 4.123 0.625 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.299 3.066 0.514 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.256 3.723 -0.110 1.00 0.00 C ATOM 0 H PHE A 22 -5.538 0.626 4.228 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.082 3.551 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.722 2.075 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.518 3.787 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.243 4.184 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.058 2.300 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.343 4.637 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.159 2.751 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.299 3.923 -1.171 1.00 0.00 H new ATOM 366 N GLY A 23 -4.607 2.068 6.731 1.00 0.00 N ATOM 367 CA GLY A 23 -4.552 1.756 8.142 1.00 0.00 C ATOM 368 C GLY A 23 -4.345 2.987 9.004 1.00 0.00 C ATOM 369 O GLY A 23 -4.280 4.105 8.493 1.00 0.00 O ATOM 0 H GLY A 23 -3.713 2.009 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.477 1.262 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.742 1.050 8.323 1.00 0.00 H new ATOM 373 N LYS A 24 -4.241 2.783 10.313 1.00 0.00 N ATOM 374 CA LYS A 24 -4.041 3.889 11.241 1.00 0.00 C ATOM 375 C LYS A 24 -2.632 3.868 11.824 1.00 0.00 C ATOM 376 O LYS A 24 -2.113 2.812 12.187 1.00 0.00 O ATOM 377 CB LYS A 24 -5.073 3.833 12.369 1.00 0.00 C ATOM 378 CG LYS A 24 -5.093 2.506 13.110 1.00 0.00 C ATOM 379 CD LYS A 24 -4.456 2.625 14.485 1.00 0.00 C ATOM 380 CE LYS A 24 -5.505 2.662 15.585 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.841 1.297 16.077 1.00 0.00 N ATOM 0 H LYS A 24 -4.292 1.865 10.754 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.170 4.818 10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.866 4.633 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.063 4.023 11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.122 2.161 13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.562 1.754 12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.784 1.783 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.849 3.530 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.140 3.267 16.415 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.407 3.145 15.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.559 1.365 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.213 0.727 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.985 0.845 16.458 1.00 0.00 H new ATOM 394 N GLY A 25 -2.018 5.045 11.911 1.00 0.00 N ATOM 395 CA GLY A 25 -0.674 5.147 12.449 1.00 0.00 C ATOM 396 C GLY A 25 0.134 6.239 11.776 1.00 0.00 C ATOM 397 O GLY A 25 -0.350 6.895 10.854 1.00 0.00 O ATOM 0 H GLY A 25 -2.429 5.931 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.728 5.345 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.163 4.192 12.327 1.00 0.00 H new ATOM 401 N THR A 26 1.371 6.431 12.237 1.00 0.00 N ATOM 402 CA THR A 26 2.257 7.449 11.675 1.00 0.00 C ATOM 403 C THR A 26 1.720 8.854 11.953 1.00 0.00 C ATOM 404 O THR A 26 0.509 9.069 12.012 1.00 0.00 O ATOM 405 CB THR A 26 2.432 7.221 10.167 1.00 0.00 C ATOM 406 OG1 THR A 26 3.570 6.417 9.915 1.00 0.00 O ATOM 407 CG2 THR A 26 2.592 8.496 9.368 1.00 0.00 C ATOM 0 H THR A 26 1.782 5.893 13.000 1.00 0.00 H new ATOM 0 HA THR A 26 3.231 7.364 12.156 1.00 0.00 H new ATOM 0 HB THR A 26 1.512 6.731 9.847 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.404 5.506 10.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.710 8.251 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.708 9.121 9.499 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.473 9.036 9.716 1.00 0.00 H new ATOM 415 N LYS A 27 2.632 9.809 12.127 1.00 0.00 N ATOM 416 CA LYS A 27 2.249 11.190 12.404 1.00 0.00 C ATOM 417 C LYS A 27 2.907 12.157 11.420 1.00 0.00 C ATOM 418 O LYS A 27 2.666 13.362 11.470 1.00 0.00 O ATOM 419 CB LYS A 27 2.630 11.568 13.836 1.00 0.00 C ATOM 420 CG LYS A 27 1.818 10.837 14.893 1.00 0.00 C ATOM 421 CD LYS A 27 2.700 9.949 15.756 1.00 0.00 C ATOM 422 CE LYS A 27 3.092 10.642 17.051 1.00 0.00 C ATOM 423 NZ LYS A 27 3.498 9.669 18.102 1.00 0.00 N ATOM 0 H LYS A 27 3.639 9.651 12.081 1.00 0.00 H new ATOM 0 HA LYS A 27 1.168 11.266 12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.688 11.355 13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.499 12.642 13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.302 11.562 15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.051 10.231 14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.173 9.022 15.983 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.598 9.677 15.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.913 11.332 16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.253 11.237 17.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.757 10.182 18.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.706 9.026 18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.315 9.118 17.768 1.00 0.00 H new ATOM 436 N GLN A 28 3.735 11.621 10.528 1.00 0.00 N ATOM 437 CA GLN A 28 4.422 12.442 9.535 1.00 0.00 C ATOM 438 C GLN A 28 4.414 11.760 8.172 1.00 0.00 C ATOM 439 O GLN A 28 4.189 10.555 8.072 1.00 0.00 O ATOM 440 CB GLN A 28 5.862 12.715 9.972 1.00 0.00 C ATOM 441 CG GLN A 28 5.966 13.504 11.268 1.00 0.00 C ATOM 442 CD GLN A 28 7.398 13.668 11.737 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.096 12.688 11.994 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.844 14.914 11.852 1.00 0.00 N ATOM 0 H GLN A 28 3.946 10.625 10.472 1.00 0.00 H new ATOM 0 HA GLN A 28 3.891 13.390 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.383 11.765 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.375 13.262 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.519 14.488 11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.389 13.000 12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.231 15.698 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.800 15.087 12.164 1.00 0.00 H new ATOM 453 N TRP A 29 4.657 12.538 7.122 1.00 0.00 N ATOM 454 CA TRP A 29 4.670 11.999 5.767 1.00 0.00 C ATOM 455 C TRP A 29 5.759 10.948 5.599 1.00 0.00 C ATOM 456 O TRP A 29 5.505 9.851 5.106 1.00 0.00 O ATOM 457 CB TRP A 29 4.872 13.112 4.743 1.00 0.00 C ATOM 458 CG TRP A 29 4.821 12.605 3.338 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.716 12.493 2.549 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.923 12.122 2.562 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.060 11.968 1.330 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.410 11.734 1.312 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.293 11.981 2.803 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.217 11.212 0.305 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.094 11.464 1.801 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.553 11.085 0.566 1.00 0.00 C ATOM 0 H TRP A 29 4.847 13.538 7.183 1.00 0.00 H new ATOM 0 HA TRP A 29 3.702 11.527 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.104 13.873 4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.834 13.594 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.716 12.776 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.416 11.782 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.717 12.270 3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.803 10.918 -0.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.154 11.351 1.974 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.205 10.684 -0.196 1.00 0.00 H new ATOM 477 N VAL A 30 6.971 11.296 6.009 1.00 0.00 N ATOM 478 CA VAL A 30 8.105 10.384 5.904 1.00 0.00 C ATOM 479 C VAL A 30 7.798 9.066 6.594 1.00 0.00 C ATOM 480 O VAL A 30 8.276 8.009 6.186 1.00 0.00 O ATOM 481 CB VAL A 30 9.375 10.996 6.520 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.938 12.075 5.612 1.00 0.00 C ATOM 483 CG2 VAL A 30 9.080 11.556 7.902 1.00 0.00 C ATOM 0 H VAL A 30 7.196 12.203 6.418 1.00 0.00 H new ATOM 0 HA VAL A 30 8.281 10.206 4.843 1.00 0.00 H new ATOM 0 HB VAL A 30 10.123 10.210 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.836 12.498 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.187 11.642 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.195 12.861 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.990 11.985 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.316 12.329 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.723 10.756 8.550 1.00 0.00 H new ATOM 493 N HIS A 31 6.988 9.136 7.640 1.00 0.00 N ATOM 494 CA HIS A 31 6.603 7.947 8.384 1.00 0.00 C ATOM 495 C HIS A 31 5.645 7.092 7.562 1.00 0.00 C ATOM 496 O HIS A 31 5.590 5.873 7.726 1.00 0.00 O ATOM 497 CB HIS A 31 5.961 8.335 9.716 1.00 0.00 C ATOM 498 CG HIS A 31 6.947 8.509 10.828 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.957 9.449 10.800 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.076 7.857 12.008 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.664 9.368 11.913 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.149 8.410 12.662 1.00 0.00 N ATOM 0 H HIS A 31 6.585 10.004 7.992 1.00 0.00 H new ATOM 0 HA HIS A 31 7.500 7.363 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.406 9.264 9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.239 7.569 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.452 7.052 12.367 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.517 9.980 12.167 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.493 8.126 13.579 1.00 0.00 H new ATOM 511 N ALA A 32 4.890 7.737 6.673 1.00 0.00 N ATOM 512 CA ALA A 32 3.941 7.026 5.828 1.00 0.00 C ATOM 513 C ALA A 32 4.668 6.182 4.788 1.00 0.00 C ATOM 514 O ALA A 32 4.379 4.997 4.631 1.00 0.00 O ATOM 515 CB ALA A 32 2.995 8.007 5.151 1.00 0.00 C ATOM 0 H ALA A 32 4.919 8.745 6.522 1.00 0.00 H new ATOM 0 HA ALA A 32 3.356 6.358 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.292 7.460 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.446 8.565 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.569 8.700 4.535 1.00 0.00 H new ATOM 521 N ARG A 33 5.624 6.794 4.094 1.00 0.00 N ATOM 522 CA ARG A 33 6.401 6.088 3.087 1.00 0.00 C ATOM 523 C ARG A 33 7.164 4.934 3.722 1.00 0.00 C ATOM 524 O ARG A 33 7.248 3.845 3.154 1.00 0.00 O ATOM 525 CB ARG A 33 7.367 7.038 2.374 1.00 0.00 C ATOM 526 CG ARG A 33 8.413 7.652 3.289 1.00 0.00 C ATOM 527 CD ARG A 33 9.818 7.235 2.886 1.00 0.00 C ATOM 528 NE ARG A 33 10.662 8.384 2.570 1.00 0.00 N ATOM 529 CZ ARG A 33 11.826 8.630 3.162 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.283 7.812 4.101 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.535 9.697 2.818 1.00 0.00 N ATOM 0 H ARG A 33 5.877 7.775 4.212 1.00 0.00 H new ATOM 0 HA ARG A 33 5.711 5.687 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.871 6.495 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.794 7.838 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.332 8.739 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.223 7.347 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.272 6.664 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.766 6.575 2.020 1.00 0.00 H new ATOM 0 HE ARG A 33 10.340 9.035 1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.741 6.991 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.177 8.004 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.187 10.330 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.428 9.884 3.273 1.00 0.00 H new ATOM 545 N TYR A 34 7.701 5.174 4.914 1.00 0.00 N ATOM 546 CA TYR A 34 8.435 4.143 5.633 1.00 0.00 C ATOM 547 C TYR A 34 7.513 2.970 5.926 1.00 0.00 C ATOM 548 O TYR A 34 7.926 1.812 5.881 1.00 0.00 O ATOM 549 CB TYR A 34 9.013 4.701 6.936 1.00 0.00 C ATOM 550 CG TYR A 34 10.498 4.468 7.088 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.988 3.244 7.526 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.412 5.472 6.792 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.347 3.027 7.666 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.771 5.264 6.928 1.00 0.00 C ATOM 555 CZ TYR A 34 13.233 4.040 7.366 1.00 0.00 C ATOM 556 OH TYR A 34 14.586 3.829 7.503 1.00 0.00 O ATOM 0 H TYR A 34 7.641 6.069 5.399 1.00 0.00 H new ATOM 0 HA TYR A 34 9.263 3.802 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.815 5.772 6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.494 4.244 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.296 2.449 7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.054 6.432 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.712 2.070 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.468 6.055 6.693 1.00 0.00 H new ATOM 0 HH TYR A 34 15.071 4.642 7.250 1.00 0.00 H new ATOM 566 N ALA A 35 6.250 3.283 6.199 1.00 0.00 N ATOM 567 CA ALA A 35 5.254 2.258 6.469 1.00 0.00 C ATOM 568 C ALA A 35 5.019 1.431 5.214 1.00 0.00 C ATOM 569 O ALA A 35 4.844 0.214 5.278 1.00 0.00 O ATOM 570 CB ALA A 35 3.955 2.889 6.947 1.00 0.00 C ATOM 0 H ALA A 35 5.895 4.238 6.239 1.00 0.00 H new ATOM 0 HA ALA A 35 5.622 1.604 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.222 2.107 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.139 3.453 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.572 3.560 6.178 1.00 0.00 H new ATOM 576 N CYS A 36 5.037 2.109 4.068 1.00 0.00 N ATOM 577 CA CYS A 36 4.849 1.455 2.787 1.00 0.00 C ATOM 578 C CYS A 36 5.905 0.382 2.592 1.00 0.00 C ATOM 579 O CYS A 36 5.599 -0.757 2.242 1.00 0.00 O ATOM 580 CB CYS A 36 4.941 2.475 1.656 1.00 0.00 C ATOM 581 SG CYS A 36 4.032 4.020 1.969 1.00 0.00 S ATOM 0 H CYS A 36 5.181 3.117 4.007 1.00 0.00 H new ATOM 0 HA CYS A 36 3.861 0.995 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.990 2.713 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.560 2.021 0.741 1.00 0.00 H new ATOM 586 N ASP A 37 7.154 0.764 2.827 1.00 0.00 N ATOM 587 CA ASP A 37 8.274 -0.153 2.689 1.00 0.00 C ATOM 588 C ASP A 37 8.066 -1.383 3.566 1.00 0.00 C ATOM 589 O ASP A 37 8.451 -2.494 3.199 1.00 0.00 O ATOM 590 CB ASP A 37 9.583 0.543 3.064 1.00 0.00 C ATOM 591 CG ASP A 37 10.795 -0.138 2.458 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.174 -1.222 2.951 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.364 0.411 1.492 1.00 0.00 O ATOM 0 H ASP A 37 7.416 1.707 3.115 1.00 0.00 H new ATOM 0 HA ASP A 37 8.332 -0.471 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.548 1.580 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.684 0.560 4.149 1.00 0.00 H new ATOM 598 N ASP A 38 7.445 -1.175 4.724 1.00 0.00 N ATOM 599 CA ASP A 38 7.174 -2.264 5.654 1.00 0.00 C ATOM 600 C ASP A 38 6.103 -3.197 5.097 1.00 0.00 C ATOM 601 O ASP A 38 6.039 -4.373 5.456 1.00 0.00 O ATOM 602 CB ASP A 38 6.729 -1.708 7.009 1.00 0.00 C ATOM 603 CG ASP A 38 7.887 -1.534 7.972 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.558 -2.541 8.280 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.121 -0.393 8.419 1.00 0.00 O ATOM 0 H ASP A 38 7.120 -0.261 5.040 1.00 0.00 H new ATOM 0 HA ASP A 38 8.094 -2.833 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.237 -0.747 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.992 -2.379 7.449 1.00 0.00 H new ATOM 610 N MET A 39 5.267 -2.662 4.211 1.00 0.00 N ATOM 611 CA MET A 39 4.201 -3.441 3.591 1.00 0.00 C ATOM 612 C MET A 39 4.627 -3.907 2.204 1.00 0.00 C ATOM 613 O MET A 39 3.917 -4.666 1.543 1.00 0.00 O ATOM 614 CB MET A 39 2.920 -2.610 3.496 1.00 0.00 C ATOM 615 CG MET A 39 2.455 -2.052 4.831 1.00 0.00 C ATOM 616 SD MET A 39 1.729 -0.409 4.683 1.00 0.00 S ATOM 617 CE MET A 39 1.165 -0.134 6.360 1.00 0.00 C ATOM 0 H MET A 39 5.308 -1.689 3.906 1.00 0.00 H new ATOM 0 HA MET A 39 4.005 -4.316 4.211 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.083 -1.784 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.127 -3.227 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.722 -2.730 5.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.301 -2.011 5.517 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.691 0.845 6.429 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.445 -0.905 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.015 -0.174 7.041 1.00 0.00 H new ATOM 627 N GLU A 40 5.796 -3.436 1.780 1.00 0.00 N ATOM 628 CA GLU A 40 6.357 -3.781 0.477 1.00 0.00 C ATOM 629 C GLU A 40 5.546 -3.160 -0.653 1.00 0.00 C ATOM 630 O GLU A 40 5.340 -3.779 -1.697 1.00 0.00 O ATOM 631 CB GLU A 40 6.421 -5.299 0.302 1.00 0.00 C ATOM 632 CG GLU A 40 7.656 -5.933 0.919 1.00 0.00 C ATOM 633 CD GLU A 40 8.906 -5.700 0.091 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.959 -6.193 -1.054 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.830 -5.023 0.590 1.00 0.00 O ATOM 0 H GLU A 40 6.381 -2.805 2.329 1.00 0.00 H new ATOM 0 HA GLU A 40 7.369 -3.378 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.533 -5.745 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.395 -5.535 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.807 -5.528 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.493 -7.005 1.030 1.00 0.00 H new ATOM 642 N GLY A 41 5.090 -1.932 -0.437 1.00 0.00 N ATOM 643 CA GLY A 41 4.306 -1.245 -1.444 1.00 0.00 C ATOM 644 C GLY A 41 4.895 0.090 -1.849 1.00 0.00 C ATOM 645 O GLY A 41 6.050 0.167 -2.270 1.00 0.00 O ATOM 0 H GLY A 41 5.250 -1.400 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.222 -1.880 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.296 -1.089 -1.065 1.00 0.00 H new ATOM 649 N GLN A 42 4.087 1.136 -1.747 1.00 0.00 N ATOM 650 CA GLN A 42 4.505 2.480 -2.130 1.00 0.00 C ATOM 651 C GLN A 42 3.573 3.489 -1.502 1.00 0.00 C ATOM 652 O GLN A 42 2.459 3.141 -1.127 1.00 0.00 O ATOM 653 CB GLN A 42 4.464 2.635 -3.651 1.00 0.00 C ATOM 654 CG GLN A 42 4.737 4.053 -4.131 1.00 0.00 C ATOM 655 CD GLN A 42 4.484 4.224 -5.615 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.100 3.554 -6.443 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.571 5.125 -5.959 1.00 0.00 N ATOM 0 H GLN A 42 3.130 1.080 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 42 5.525 2.647 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.198 1.963 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.485 2.321 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.107 4.748 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.772 4.315 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.084 5.658 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.357 5.284 -6.944 1.00 0.00 H new ATOM 666 N LEU A 43 3.984 4.741 -1.398 1.00 0.00 N ATOM 667 CA LEU A 43 3.084 5.708 -0.828 1.00 0.00 C ATOM 668 C LEU A 43 2.045 6.016 -1.895 1.00 0.00 C ATOM 669 O LEU A 43 2.353 6.582 -2.944 1.00 0.00 O ATOM 670 CB LEU A 43 3.855 6.971 -0.418 1.00 0.00 C ATOM 671 CG LEU A 43 3.282 7.796 0.747 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.538 6.930 1.742 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.397 8.553 1.450 1.00 0.00 C ATOM 0 H LEU A 43 4.896 5.095 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 43 2.602 5.326 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.871 6.677 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.926 7.621 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 43 2.568 8.504 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.150 7.553 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.710 6.429 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.217 6.184 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.980 9.134 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.128 7.845 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.883 9.224 0.742 1.00 0.00 H new ATOM 685 N VAL A 44 0.823 5.587 -1.601 1.00 0.00 N ATOM 686 CA VAL A 44 -0.336 5.726 -2.483 1.00 0.00 C ATOM 687 C VAL A 44 -0.052 6.491 -3.765 1.00 0.00 C ATOM 688 O VAL A 44 0.046 5.901 -4.842 1.00 0.00 O ATOM 689 CB VAL A 44 -1.502 6.394 -1.751 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.678 5.437 -1.661 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.062 6.847 -0.370 1.00 0.00 C ATOM 0 H VAL A 44 0.602 5.121 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.598 4.707 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.819 7.273 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.503 5.922 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.998 5.159 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.378 4.543 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.900 7.321 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.726 5.985 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.244 7.561 -0.465 1.00 0.00 H new ATOM 701 N SER A 45 0.044 7.803 -3.644 1.00 0.00 N ATOM 702 CA SER A 45 0.282 8.667 -4.796 1.00 0.00 C ATOM 703 C SER A 45 -0.948 8.668 -5.697 1.00 0.00 C ATOM 704 O SER A 45 -0.847 8.504 -6.914 1.00 0.00 O ATOM 705 CB SER A 45 1.509 8.200 -5.582 1.00 0.00 C ATOM 706 OG SER A 45 2.600 9.082 -5.401 1.00 0.00 O ATOM 0 H SER A 45 -0.039 8.299 -2.757 1.00 0.00 H new ATOM 0 HA SER A 45 0.472 9.680 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.791 7.198 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.262 8.136 -6.642 1.00 0.00 H new ATOM 0 HG SER A 45 2.637 9.714 -6.149 1.00 0.00 H new ATOM 712 N ILE A 46 -2.112 8.835 -5.075 1.00 0.00 N ATOM 713 CA ILE A 46 -3.385 8.840 -5.793 1.00 0.00 C ATOM 714 C ILE A 46 -3.359 9.794 -6.982 1.00 0.00 C ATOM 715 O ILE A 46 -2.741 10.857 -6.927 1.00 0.00 O ATOM 716 CB ILE A 46 -4.567 9.222 -4.873 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.075 9.595 -3.470 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.563 8.075 -4.799 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.188 9.965 -2.516 1.00 0.00 C ATOM 0 H ILE A 46 -2.201 8.970 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.530 7.821 -6.152 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.063 10.095 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.516 8.756 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.382 10.432 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.392 8.354 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.943 7.858 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.069 7.190 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.765 10.217 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.733 10.824 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.870 9.121 -2.408 1.00 0.00 H new ATOM 731 N HIS A 47 -4.035 9.399 -8.056 1.00 0.00 N ATOM 732 CA HIS A 47 -4.096 10.210 -9.266 1.00 0.00 C ATOM 733 C HIS A 47 -5.500 10.205 -9.862 1.00 0.00 C ATOM 734 O HIS A 47 -5.742 10.818 -10.902 1.00 0.00 O ATOM 735 CB HIS A 47 -3.096 9.693 -10.301 1.00 0.00 C ATOM 736 CG HIS A 47 -2.998 8.200 -10.348 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.322 7.458 -9.401 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.496 7.308 -11.236 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.408 6.176 -9.706 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.115 6.057 -10.813 1.00 0.00 N ATOM 0 H HIS A 47 -4.549 8.520 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.840 11.234 -8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.383 10.061 -11.286 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.112 10.106 -10.081 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.832 7.840 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.083 7.537 -12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.973 5.363 -9.144 1.00 0.00 H new ATOM 749 N SER A 48 -6.424 9.516 -9.198 1.00 0.00 N ATOM 750 CA SER A 48 -7.799 9.441 -9.664 1.00 0.00 C ATOM 751 C SER A 48 -8.744 10.022 -8.625 1.00 0.00 C ATOM 752 O SER A 48 -8.774 9.564 -7.483 1.00 0.00 O ATOM 753 CB SER A 48 -8.181 7.990 -9.965 1.00 0.00 C ATOM 754 OG SER A 48 -9.570 7.869 -10.214 1.00 0.00 O ATOM 0 H SER A 48 -6.242 9.003 -8.336 1.00 0.00 H new ATOM 0 HA SER A 48 -7.884 10.025 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.621 7.635 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.903 7.355 -9.124 1.00 0.00 H new ATOM 0 HG SER A 48 -9.788 6.933 -10.405 1.00 0.00 H new ATOM 760 N PRO A 49 -9.534 11.043 -9.004 1.00 0.00 N ATOM 761 CA PRO A 49 -10.484 11.674 -8.090 1.00 0.00 C ATOM 762 C PRO A 49 -11.291 10.638 -7.322 1.00 0.00 C ATOM 763 O PRO A 49 -11.714 10.874 -6.191 1.00 0.00 O ATOM 764 CB PRO A 49 -11.384 12.481 -9.023 1.00 0.00 C ATOM 765 CG PRO A 49 -10.512 12.816 -10.184 1.00 0.00 C ATOM 766 CD PRO A 49 -9.570 11.653 -10.348 1.00 0.00 C ATOM 0 HA PRO A 49 -9.995 12.282 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.254 11.903 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.757 13.381 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.105 12.967 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.963 13.740 -10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.929 10.949 -11.098 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.580 11.981 -10.666 1.00 0.00 H new ATOM 774 N GLU A 50 -11.486 9.479 -7.946 1.00 0.00 N ATOM 775 CA GLU A 50 -12.227 8.392 -7.326 1.00 0.00 C ATOM 776 C GLU A 50 -11.412 7.735 -6.227 1.00 0.00 C ATOM 777 O GLU A 50 -11.918 7.480 -5.139 1.00 0.00 O ATOM 778 CB GLU A 50 -12.615 7.343 -8.364 1.00 0.00 C ATOM 779 CG GLU A 50 -13.280 6.119 -7.761 1.00 0.00 C ATOM 780 CD GLU A 50 -13.222 4.912 -8.677 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.141 4.296 -8.780 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.259 4.584 -9.292 1.00 0.00 O ATOM 0 H GLU A 50 -11.139 9.271 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.131 8.817 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.290 7.794 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.723 7.032 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.796 5.876 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.321 6.350 -7.536 1.00 0.00 H new ATOM 789 N GLU A 51 -10.151 7.447 -6.526 1.00 0.00 N ATOM 790 CA GLU A 51 -9.275 6.805 -5.567 1.00 0.00 C ATOM 791 C GLU A 51 -9.069 7.698 -4.349 1.00 0.00 C ATOM 792 O GLU A 51 -9.177 7.244 -3.211 1.00 0.00 O ATOM 793 CB GLU A 51 -7.934 6.462 -6.214 1.00 0.00 C ATOM 794 CG GLU A 51 -8.007 5.286 -7.174 1.00 0.00 C ATOM 795 CD GLU A 51 -6.813 5.220 -8.107 1.00 0.00 C ATOM 796 OE1 GLU A 51 -5.670 5.339 -7.618 1.00 0.00 O ATOM 797 OE2 GLU A 51 -7.021 5.049 -9.326 1.00 0.00 O ATOM 0 H GLU A 51 -9.717 7.650 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.745 5.879 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.564 7.336 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.209 6.238 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.069 4.359 -6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.921 5.359 -7.764 1.00 0.00 H new ATOM 804 N GLN A 52 -8.787 8.974 -4.596 1.00 0.00 N ATOM 805 CA GLN A 52 -8.584 9.929 -3.518 1.00 0.00 C ATOM 806 C GLN A 52 -9.854 10.043 -2.681 1.00 0.00 C ATOM 807 O GLN A 52 -9.800 10.073 -1.453 1.00 0.00 O ATOM 808 CB GLN A 52 -8.168 11.297 -4.079 1.00 0.00 C ATOM 809 CG GLN A 52 -9.324 12.270 -4.277 1.00 0.00 C ATOM 810 CD GLN A 52 -9.496 13.234 -3.116 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.146 14.271 -3.253 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.918 12.900 -1.965 1.00 0.00 N ATOM 0 H GLN A 52 -8.695 9.367 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.777 9.574 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.440 11.748 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.666 11.148 -5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.160 12.839 -5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.247 11.706 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.388 12.031 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.005 13.513 -1.154 1.00 0.00 H new ATOM 821 N ASP A 53 -10.994 10.078 -3.362 1.00 0.00 N ATOM 822 CA ASP A 53 -12.289 10.156 -2.706 1.00 0.00 C ATOM 823 C ASP A 53 -12.564 8.860 -1.961 1.00 0.00 C ATOM 824 O ASP A 53 -13.200 8.851 -0.910 1.00 0.00 O ATOM 825 CB ASP A 53 -13.393 10.417 -3.732 1.00 0.00 C ATOM 826 CG ASP A 53 -14.695 10.846 -3.082 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.742 11.965 -2.530 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.668 10.064 -3.129 1.00 0.00 O ATOM 0 H ASP A 53 -11.044 10.053 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.276 10.983 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.065 11.190 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.563 9.513 -4.318 1.00 0.00 H new ATOM 833 N PHE A 54 -12.090 7.762 -2.540 1.00 0.00 N ATOM 834 CA PHE A 54 -12.278 6.441 -1.971 1.00 0.00 C ATOM 835 C PHE A 54 -11.676 6.358 -0.576 1.00 0.00 C ATOM 836 O PHE A 54 -12.340 5.954 0.378 1.00 0.00 O ATOM 837 CB PHE A 54 -11.600 5.417 -2.878 1.00 0.00 C ATOM 838 CG PHE A 54 -12.530 4.389 -3.441 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.784 3.218 -2.752 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.141 4.594 -4.665 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.635 2.264 -3.274 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.994 3.647 -5.194 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.243 2.478 -4.498 1.00 0.00 C ATOM 0 H PHE A 54 -11.566 7.767 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.346 6.237 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.114 5.942 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.815 4.912 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.312 3.047 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.948 5.505 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.826 1.352 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.466 3.818 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.910 1.735 -4.909 1.00 0.00 H new ATOM 853 N LEU A 55 -10.420 6.765 -0.463 1.00 0.00 N ATOM 854 CA LEU A 55 -9.729 6.764 0.817 1.00 0.00 C ATOM 855 C LEU A 55 -10.243 7.898 1.689 1.00 0.00 C ATOM 856 O LEU A 55 -10.349 7.765 2.906 1.00 0.00 O ATOM 857 CB LEU A 55 -8.227 6.906 0.618 1.00 0.00 C ATOM 858 CG LEU A 55 -7.821 7.804 -0.542 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.292 9.129 -0.026 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.787 7.106 -1.406 1.00 0.00 C ATOM 0 H LEU A 55 -9.858 7.101 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.926 5.813 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.788 7.299 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.800 5.916 0.460 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.699 8.007 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.006 9.759 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.067 9.629 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.422 8.952 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.504 7.758 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.906 6.877 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.207 6.181 -1.801 1.00 0.00 H new ATOM 872 N THR A 56 -10.555 9.016 1.042 1.00 0.00 N ATOM 873 CA THR A 56 -11.059 10.189 1.731 1.00 0.00 C ATOM 874 C THR A 56 -12.364 9.852 2.441 1.00 0.00 C ATOM 875 O THR A 56 -12.609 10.294 3.564 1.00 0.00 O ATOM 876 CB THR A 56 -11.255 11.335 0.726 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.218 12.292 0.844 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.568 12.071 0.866 1.00 0.00 C ATOM 0 H THR A 56 -10.465 9.130 0.032 1.00 0.00 H new ATOM 0 HA THR A 56 -10.338 10.511 2.482 1.00 0.00 H new ATOM 0 HB THR A 56 -11.245 10.846 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.602 13.164 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.623 12.863 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.393 11.374 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.636 12.508 1.862 1.00 0.00 H new ATOM 886 N LYS A 57 -13.184 9.044 1.781 1.00 0.00 N ATOM 887 CA LYS A 57 -14.451 8.616 2.343 1.00 0.00 C ATOM 888 C LYS A 57 -14.202 7.552 3.402 1.00 0.00 C ATOM 889 O LYS A 57 -14.903 7.485 4.413 1.00 0.00 O ATOM 890 CB LYS A 57 -15.368 8.067 1.248 1.00 0.00 C ATOM 891 CG LYS A 57 -16.764 8.668 1.265 1.00 0.00 C ATOM 892 CD LYS A 57 -16.872 9.846 0.311 1.00 0.00 C ATOM 893 CE LYS A 57 -16.839 11.171 1.056 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.113 12.323 0.153 1.00 0.00 N ATOM 0 H LYS A 57 -12.989 8.672 0.851 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.943 9.474 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.912 8.255 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.446 6.985 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.493 7.906 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.010 8.993 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.053 9.811 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.798 9.771 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.577 11.155 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.863 11.300 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.081 13.207 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.394 12.354 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.055 12.213 -0.274 1.00 0.00 H new ATOM 907 N HIS A 58 -13.187 6.727 3.161 1.00 0.00 N ATOM 908 CA HIS A 58 -12.825 5.668 4.090 1.00 0.00 C ATOM 909 C HIS A 58 -12.182 6.253 5.343 1.00 0.00 C ATOM 910 O HIS A 58 -12.220 5.646 6.413 1.00 0.00 O ATOM 911 CB HIS A 58 -11.864 4.682 3.424 1.00 0.00 C ATOM 912 CG HIS A 58 -12.119 3.254 3.796 1.00 0.00 C ATOM 913 ND1 HIS A 58 -13.378 2.692 3.803 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.268 2.272 4.173 1.00 0.00 C ATOM 915 CE1 HIS A 58 -13.290 1.426 4.170 1.00 0.00 C ATOM 916 NE2 HIS A 58 -12.021 1.146 4.399 1.00 0.00 N ATOM 0 H HIS A 58 -12.601 6.774 2.327 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.734 5.138 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.942 4.786 2.342 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.842 4.943 3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -14.242 3.178 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.196 2.358 4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -14.116 0.737 4.266 1.00 0.00 H new ATOM 925 N ALA A 59 -11.592 7.439 5.201 1.00 0.00 N ATOM 926 CA ALA A 59 -10.941 8.105 6.322 1.00 0.00 C ATOM 927 C ALA A 59 -11.968 8.685 7.287 1.00 0.00 C ATOM 928 O ALA A 59 -12.403 9.827 7.137 1.00 0.00 O ATOM 929 CB ALA A 59 -10.011 9.196 5.816 1.00 0.00 C ATOM 0 H ALA A 59 -11.553 7.955 4.322 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.353 7.364 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.531 9.686 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.250 8.755 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.585 9.930 5.250 1.00 0.00 H new ATOM 935 N SER A 60 -12.353 7.890 8.282 1.00 0.00 N ATOM 936 CA SER A 60 -13.329 8.324 9.274 1.00 0.00 C ATOM 937 C SER A 60 -12.637 8.763 10.560 1.00 0.00 C ATOM 938 O SER A 60 -13.015 9.766 11.169 1.00 0.00 O ATOM 939 CB SER A 60 -14.319 7.196 9.574 1.00 0.00 C ATOM 940 OG SER A 60 -15.066 6.852 8.420 1.00 0.00 O ATOM 0 H SER A 60 -12.003 6.942 8.422 1.00 0.00 H new ATOM 0 HA SER A 60 -13.872 9.176 8.865 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.779 6.321 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.996 7.505 10.371 1.00 0.00 H new ATOM 0 HG SER A 60 -15.690 6.128 8.638 1.00 0.00 H new ATOM 946 N HIS A 61 -11.623 8.007 10.969 1.00 0.00 N ATOM 947 CA HIS A 61 -10.878 8.318 12.183 1.00 0.00 C ATOM 948 C HIS A 61 -10.011 9.559 11.985 1.00 0.00 C ATOM 949 O HIS A 61 -10.053 10.491 12.788 1.00 0.00 O ATOM 950 CB HIS A 61 -10.002 7.130 12.587 1.00 0.00 C ATOM 951 CG HIS A 61 -10.688 6.168 13.507 1.00 0.00 C ATOM 952 ND1 HIS A 61 -11.708 6.538 14.359 1.00 0.00 N ATOM 953 CD2 HIS A 61 -10.496 4.843 13.706 1.00 0.00 C ATOM 954 CE1 HIS A 61 -12.112 5.482 15.043 1.00 0.00 C ATOM 955 NE2 HIS A 61 -11.394 4.441 14.664 1.00 0.00 N ATOM 0 H HIS A 61 -11.299 7.174 10.477 1.00 0.00 H new ATOM 0 HA HIS A 61 -11.595 8.519 12.979 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.686 6.599 11.689 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.099 7.502 13.071 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.772 4.218 13.205 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.896 5.472 15.786 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.491 3.492 15.024 1.00 0.00 H new ATOM 964 N THR A 62 -9.227 9.562 10.911 1.00 0.00 N ATOM 965 CA THR A 62 -8.350 10.686 10.607 1.00 0.00 C ATOM 966 C THR A 62 -8.048 10.752 9.114 1.00 0.00 C ATOM 967 O THR A 62 -8.483 9.894 8.344 1.00 0.00 O ATOM 968 CB THR A 62 -7.046 10.573 11.398 1.00 0.00 C ATOM 969 OG1 THR A 62 -6.943 9.303 12.017 1.00 0.00 O ATOM 970 CG2 THR A 62 -6.908 11.623 12.478 1.00 0.00 C ATOM 0 H THR A 62 -9.182 8.798 10.237 1.00 0.00 H new ATOM 0 HA THR A 62 -8.864 11.603 10.897 1.00 0.00 H new ATOM 0 HB THR A 62 -6.251 10.721 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.423 9.383 12.844 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.961 11.485 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.933 12.615 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.731 11.526 13.187 1.00 0.00 H new ATOM 978 N GLY A 63 -7.300 11.776 8.711 1.00 0.00 N ATOM 979 CA GLY A 63 -6.950 11.938 7.311 1.00 0.00 C ATOM 980 C GLY A 63 -6.054 10.829 6.800 1.00 0.00 C ATOM 981 O GLY A 63 -5.866 9.814 7.470 1.00 0.00 O ATOM 0 H GLY A 63 -6.930 12.497 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.861 11.967 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.449 12.896 7.175 1.00 0.00 H new ATOM 985 N SER A 64 -5.503 11.020 5.605 1.00 0.00 N ATOM 986 CA SER A 64 -4.628 10.023 5.001 1.00 0.00 C ATOM 987 C SER A 64 -3.376 10.668 4.406 1.00 0.00 C ATOM 988 O SER A 64 -3.344 11.871 4.150 1.00 0.00 O ATOM 989 CB SER A 64 -5.385 9.253 3.917 1.00 0.00 C ATOM 990 OG SER A 64 -4.922 9.601 2.624 1.00 0.00 O ATOM 0 H SER A 64 -5.647 11.855 5.037 1.00 0.00 H new ATOM 0 HA SER A 64 -4.312 9.333 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.261 8.182 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.451 9.465 3.994 1.00 0.00 H new ATOM 0 HG SER A 64 -5.607 10.129 2.162 1.00 0.00 H new ATOM 996 N TRP A 65 -2.354 9.848 4.178 1.00 0.00 N ATOM 997 CA TRP A 65 -1.096 10.315 3.602 1.00 0.00 C ATOM 998 C TRP A 65 -0.922 9.744 2.201 1.00 0.00 C ATOM 999 O TRP A 65 -1.119 8.549 1.984 1.00 0.00 O ATOM 1000 CB TRP A 65 0.079 9.891 4.487 1.00 0.00 C ATOM 1001 CG TRP A 65 0.448 10.910 5.523 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.059 12.113 5.311 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.235 10.813 6.936 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.237 12.769 6.505 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.740 11.991 7.516 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.334 9.844 7.766 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.691 12.226 8.888 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.382 10.078 9.127 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.128 11.260 9.676 1.00 0.00 C ATOM 0 H TRP A 65 -2.373 8.849 4.385 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.119 11.403 3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.171 8.954 4.984 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.946 9.696 3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.359 12.493 4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.669 13.686 6.620 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.729 8.928 7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.083 13.138 9.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.820 9.336 9.778 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.076 11.413 10.744 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.563 10.598 1.251 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.382 10.160 -0.129 1.00 0.00 C ATOM 1022 C ILE A 66 1.074 10.251 -0.564 1.00 0.00 C ATOM 1023 O ILE A 66 1.898 10.862 0.111 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.258 10.966 -1.103 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.585 12.298 -1.460 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.639 11.187 -0.497 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.554 13.417 -1.754 1.00 0.00 C ATOM 0 H ILE A 66 -0.392 11.591 1.408 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.693 9.116 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.376 10.400 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.062 12.599 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.055 12.148 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.254 11.758 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.110 10.223 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.542 11.738 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.000 14.324 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.185 13.140 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.178 13.597 -0.879 1.00 0.00 H new ATOM 1039 N GLY A 67 1.378 9.621 -1.694 1.00 0.00 N ATOM 1040 CA GLY A 67 2.732 9.620 -2.213 1.00 0.00 C ATOM 1041 C GLY A 67 3.126 10.929 -2.871 1.00 0.00 C ATOM 1042 O GLY A 67 3.590 10.937 -4.010 1.00 0.00 O ATOM 0 H GLY A 67 0.705 9.108 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.425 9.408 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.835 8.812 -2.938 1.00 0.00 H new ATOM 1046 N LEU A 68 2.953 12.036 -2.158 1.00 0.00 N ATOM 1047 CA LEU A 68 3.308 13.340 -2.694 1.00 0.00 C ATOM 1048 C LEU A 68 4.264 14.092 -1.772 1.00 0.00 C ATOM 1049 O LEU A 68 3.990 14.279 -0.585 1.00 0.00 O ATOM 1050 CB LEU A 68 2.050 14.178 -2.922 1.00 0.00 C ATOM 1051 CG LEU A 68 1.913 14.752 -4.326 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.771 15.748 -4.379 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.212 15.402 -4.747 1.00 0.00 C ATOM 0 H LEU A 68 2.571 12.055 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 68 3.816 13.174 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.176 13.562 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.043 15.000 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 68 1.690 13.942 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.685 16.150 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.159 15.250 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.965 16.562 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.106 15.810 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.458 16.206 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.010 14.659 -4.739 1.00 0.00 H new ATOM 1065 N ARG A 69 5.377 14.537 -2.344 1.00 0.00 N ATOM 1066 CA ARG A 69 6.386 15.296 -1.614 1.00 0.00 C ATOM 1067 C ARG A 69 6.900 16.448 -2.477 1.00 0.00 C ATOM 1068 O ARG A 69 7.401 16.226 -3.577 1.00 0.00 O ATOM 1069 CB ARG A 69 7.542 14.380 -1.198 1.00 0.00 C ATOM 1070 CG ARG A 69 8.803 15.128 -0.795 1.00 0.00 C ATOM 1071 CD ARG A 69 9.918 14.924 -1.807 1.00 0.00 C ATOM 1072 NE ARG A 69 11.232 15.217 -1.240 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.267 14.385 -1.309 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.141 13.213 -1.917 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.429 14.725 -0.769 1.00 0.00 N ATOM 0 H ARG A 69 5.605 14.382 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 69 5.933 15.710 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.218 13.757 -0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.777 13.709 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.583 16.192 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.133 14.785 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.899 13.895 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.745 15.565 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 69 11.363 16.110 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.248 12.948 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.937 12.577 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.530 15.625 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.222 14.086 -0.822 1.00 0.00 H new ATOM 1089 N ASN A 70 6.774 17.674 -1.982 1.00 0.00 N ATOM 1090 CA ASN A 70 7.227 18.842 -2.733 1.00 0.00 C ATOM 1091 C ASN A 70 8.607 19.295 -2.272 1.00 0.00 C ATOM 1092 O ASN A 70 8.967 19.138 -1.105 1.00 0.00 O ATOM 1093 CB ASN A 70 6.220 19.989 -2.598 1.00 0.00 C ATOM 1094 CG ASN A 70 6.882 21.354 -2.622 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.265 21.890 -1.582 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.017 21.924 -3.813 1.00 0.00 N ATOM 0 H ASN A 70 6.366 17.886 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 70 7.299 18.556 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.494 19.927 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.667 19.874 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.453 22.843 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.685 21.443 -4.649 1.00 0.00 H new ATOM 1103 N LEU A 71 9.374 19.861 -3.200 1.00 0.00 N ATOM 1104 CA LEU A 71 10.714 20.343 -2.896 1.00 0.00 C ATOM 1105 C LEU A 71 10.669 21.782 -2.392 1.00 0.00 C ATOM 1106 O LEU A 71 9.800 22.560 -2.787 1.00 0.00 O ATOM 1107 CB LEU A 71 11.604 20.252 -4.137 1.00 0.00 C ATOM 1108 CG LEU A 71 11.815 18.837 -4.678 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.844 18.846 -6.198 1.00 0.00 C ATOM 1110 CD2 LEU A 71 13.101 18.242 -4.122 1.00 0.00 C ATOM 0 H LEU A 71 9.088 19.996 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 71 11.133 19.714 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.167 20.865 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.577 20.683 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 71 10.980 18.216 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.995 17.831 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.898 19.232 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.660 19.481 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.236 17.235 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.947 18.864 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.042 18.201 -3.034 1.00 0.00 H new ATOM 1122 N ASP A 72 11.611 22.126 -1.517 1.00 0.00 N ATOM 1123 CA ASP A 72 11.685 23.471 -0.952 1.00 0.00 C ATOM 1124 C ASP A 72 10.410 23.814 -0.186 1.00 0.00 C ATOM 1125 O ASP A 72 10.315 23.569 1.017 1.00 0.00 O ATOM 1126 CB ASP A 72 11.932 24.501 -2.057 1.00 0.00 C ATOM 1127 CG ASP A 72 13.095 25.421 -1.740 1.00 0.00 C ATOM 1128 OD1 ASP A 72 14.188 24.907 -1.422 1.00 0.00 O ATOM 1129 OD2 ASP A 72 12.913 26.655 -1.811 1.00 0.00 O ATOM 0 H ASP A 72 12.335 21.490 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 72 12.520 23.498 -0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.128 23.983 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.031 25.096 -2.203 1.00 0.00 H new ATOM 1134 N LEU A 73 9.433 24.385 -0.887 1.00 0.00 N ATOM 1135 CA LEU A 73 8.166 24.761 -0.266 1.00 0.00 C ATOM 1136 C LEU A 73 7.137 25.164 -1.319 1.00 0.00 C ATOM 1137 O LEU A 73 6.055 24.584 -1.397 1.00 0.00 O ATOM 1138 CB LEU A 73 8.379 25.914 0.717 1.00 0.00 C ATOM 1139 CG LEU A 73 7.304 26.053 1.796 1.00 0.00 C ATOM 1140 CD1 LEU A 73 7.918 26.529 3.102 1.00 0.00 C ATOM 1141 CD2 LEU A 73 6.212 27.010 1.338 1.00 0.00 C ATOM 0 H LEU A 73 9.494 24.597 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 73 7.786 23.893 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.345 25.782 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.430 26.846 0.154 1.00 0.00 H new ATOM 0 HG LEU A 73 6.856 25.074 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.138 26.622 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.664 25.809 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.393 27.498 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.455 27.098 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.646 27.990 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.752 26.628 0.427 1.00 0.00 H new ATOM 1153 N LYS A 74 7.481 26.168 -2.122 1.00 0.00 N ATOM 1154 CA LYS A 74 6.587 26.656 -3.165 1.00 0.00 C ATOM 1155 C LYS A 74 6.989 26.120 -4.537 1.00 0.00 C ATOM 1156 O LYS A 74 6.444 26.538 -5.558 1.00 0.00 O ATOM 1157 CB LYS A 74 6.583 28.185 -3.185 1.00 0.00 C ATOM 1158 CG LYS A 74 5.817 28.807 -2.029 1.00 0.00 C ATOM 1159 CD LYS A 74 6.255 30.240 -1.777 1.00 0.00 C ATOM 1160 CE LYS A 74 6.859 30.404 -0.391 1.00 0.00 C ATOM 1161 NZ LYS A 74 6.028 31.282 0.477 1.00 0.00 N ATOM 0 H LYS A 74 8.374 26.659 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 74 5.583 26.295 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.612 28.543 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.147 28.527 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.749 28.785 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.972 28.214 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.985 30.536 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.399 30.907 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.964 29.425 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.861 30.824 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.538 31.478 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.835 32.177 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.129 30.806 0.694 1.00 0.00 H new ATOM 1174 N GLY A 75 7.947 25.198 -4.552 1.00 0.00 N ATOM 1175 CA GLY A 75 8.405 24.625 -5.807 1.00 0.00 C ATOM 1176 C GLY A 75 7.360 23.739 -6.461 1.00 0.00 C ATOM 1177 O GLY A 75 6.191 24.113 -6.556 1.00 0.00 O ATOM 0 H GLY A 75 8.414 24.837 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.674 25.429 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.309 24.043 -5.628 1.00 0.00 H new ATOM 1181 N GLU A 76 7.783 22.561 -6.909 1.00 0.00 N ATOM 1182 CA GLU A 76 6.883 21.618 -7.553 1.00 0.00 C ATOM 1183 C GLU A 76 6.703 20.377 -6.690 1.00 0.00 C ATOM 1184 O GLU A 76 7.616 19.976 -5.965 1.00 0.00 O ATOM 1185 CB GLU A 76 7.420 21.224 -8.931 1.00 0.00 C ATOM 1186 CG GLU A 76 7.800 22.412 -9.799 1.00 0.00 C ATOM 1187 CD GLU A 76 8.708 22.027 -10.951 1.00 0.00 C ATOM 1188 OE1 GLU A 76 9.738 21.368 -10.699 1.00 0.00 O ATOM 1189 OE2 GLU A 76 8.387 22.385 -12.104 1.00 0.00 O ATOM 0 H GLU A 76 8.748 22.238 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 76 5.914 22.101 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.294 20.585 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.666 20.632 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.895 22.873 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.298 23.162 -9.184 1.00 0.00 H new ATOM 1196 N PHE A 77 5.521 19.778 -6.760 1.00 0.00 N ATOM 1197 CA PHE A 77 5.226 18.591 -5.975 1.00 0.00 C ATOM 1198 C PHE A 77 5.585 17.332 -6.755 1.00 0.00 C ATOM 1199 O PHE A 77 5.064 17.089 -7.842 1.00 0.00 O ATOM 1200 CB PHE A 77 3.745 18.542 -5.566 1.00 0.00 C ATOM 1201 CG PHE A 77 3.160 19.848 -5.085 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.936 20.991 -4.953 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.812 19.924 -4.770 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.383 22.179 -4.519 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.254 21.112 -4.337 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.040 22.240 -4.211 1.00 0.00 C ATOM 0 H PHE A 77 4.754 20.096 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 77 5.831 18.639 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.162 18.195 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.628 17.799 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.988 20.950 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.191 19.045 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.001 23.059 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.202 21.158 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.604 23.168 -3.872 1.00 0.00 H new ATOM 1216 N ILE A 78 6.482 16.539 -6.187 1.00 0.00 N ATOM 1217 CA ILE A 78 6.927 15.304 -6.807 1.00 0.00 C ATOM 1218 C ILE A 78 6.490 14.108 -5.975 1.00 0.00 C ATOM 1219 O ILE A 78 6.512 14.156 -4.750 1.00 0.00 O ATOM 1220 CB ILE A 78 8.461 15.288 -6.981 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.821 15.499 -8.459 1.00 0.00 C ATOM 1222 CG2 ILE A 78 9.060 13.995 -6.429 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.531 14.328 -9.114 1.00 0.00 C ATOM 0 H ILE A 78 6.919 16.734 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 78 6.469 15.242 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 78 8.892 16.108 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.907 15.709 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.454 16.382 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.142 14.009 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.828 13.910 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.639 13.142 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.745 14.568 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.465 14.129 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.894 13.445 -9.069 1.00 0.00 H new ATOM 1235 N TRP A 79 6.097 13.037 -6.642 1.00 0.00 N ATOM 1236 CA TRP A 79 5.654 11.842 -5.946 1.00 0.00 C ATOM 1237 C TRP A 79 6.843 11.111 -5.333 1.00 0.00 C ATOM 1238 O TRP A 79 7.963 11.200 -5.832 1.00 0.00 O ATOM 1239 CB TRP A 79 4.910 10.909 -6.906 1.00 0.00 C ATOM 1240 CG TRP A 79 3.529 11.379 -7.260 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.934 12.551 -6.887 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.569 10.679 -8.060 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.665 12.622 -7.407 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.417 11.486 -8.131 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.572 9.449 -8.725 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.281 11.101 -8.839 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.444 9.069 -9.427 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.312 9.892 -9.480 1.00 0.00 C ATOM 0 H TRP A 79 6.076 12.970 -7.660 1.00 0.00 H new ATOM 0 HA TRP A 79 4.975 12.143 -5.148 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.493 10.804 -7.821 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.842 9.919 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.394 13.311 -6.273 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.013 13.395 -7.275 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.440 8.808 -8.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.593 11.734 -8.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.435 8.121 -9.944 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.554 9.566 -10.038 1.00 0.00 H new ATOM 1259 N VAL A 80 6.588 10.395 -4.241 1.00 0.00 N ATOM 1260 CA VAL A 80 7.634 9.650 -3.549 1.00 0.00 C ATOM 1261 C VAL A 80 8.288 8.641 -4.488 1.00 0.00 C ATOM 1262 O VAL A 80 9.464 8.306 -4.337 1.00 0.00 O ATOM 1263 CB VAL A 80 7.057 8.908 -2.326 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.666 8.393 -2.640 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.970 7.770 -1.885 1.00 0.00 C ATOM 0 H VAL A 80 5.664 10.315 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 80 8.384 10.366 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 80 6.992 9.614 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.267 7.871 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.016 9.231 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.714 7.707 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.534 7.268 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.082 7.056 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.947 8.171 -1.617 1.00 0.00 H new ATOM 1275 N ASP A 81 7.520 8.167 -5.461 1.00 0.00 N ATOM 1276 CA ASP A 81 8.021 7.204 -6.430 1.00 0.00 C ATOM 1277 C ASP A 81 8.722 7.920 -7.577 1.00 0.00 C ATOM 1278 O ASP A 81 9.041 7.314 -8.601 1.00 0.00 O ATOM 1279 CB ASP A 81 6.877 6.344 -6.970 1.00 0.00 C ATOM 1280 CG ASP A 81 7.371 5.057 -7.601 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.955 4.226 -6.875 1.00 0.00 O ATOM 1282 OD2 ASP A 81 7.172 4.881 -8.822 1.00 0.00 O ATOM 0 H ASP A 81 6.546 8.435 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 81 8.740 6.556 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.189 6.107 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.314 6.915 -7.708 1.00 0.00 H new ATOM 1287 N GLY A 82 8.951 9.215 -7.397 1.00 0.00 N ATOM 1288 CA GLY A 82 9.604 10.003 -8.421 1.00 0.00 C ATOM 1289 C GLY A 82 8.810 10.030 -9.708 1.00 0.00 C ATOM 1290 O GLY A 82 9.368 9.880 -10.795 1.00 0.00 O ATOM 0 H GLY A 82 8.695 9.734 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.744 11.022 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.596 9.595 -8.615 1.00 0.00 H new ATOM 1294 N SER A 83 7.498 10.209 -9.582 1.00 0.00 N ATOM 1295 CA SER A 83 6.620 10.240 -10.745 1.00 0.00 C ATOM 1296 C SER A 83 5.942 11.597 -10.905 1.00 0.00 C ATOM 1297 O SER A 83 5.257 11.840 -11.900 1.00 0.00 O ATOM 1298 CB SER A 83 5.562 9.140 -10.638 1.00 0.00 C ATOM 1299 OG SER A 83 4.772 9.075 -11.812 1.00 0.00 O ATOM 0 H SER A 83 7.022 10.334 -8.689 1.00 0.00 H new ATOM 0 HA SER A 83 7.237 10.067 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.048 8.179 -10.470 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.922 9.329 -9.776 1.00 0.00 H new ATOM 0 HG SER A 83 4.636 9.979 -12.165 1.00 0.00 H new ATOM 1305 N HIS A 84 6.132 12.479 -9.925 1.00 0.00 N ATOM 1306 CA HIS A 84 5.533 13.811 -9.963 1.00 0.00 C ATOM 1307 C HIS A 84 4.007 13.724 -9.971 1.00 0.00 C ATOM 1308 O HIS A 84 3.436 12.666 -10.237 1.00 0.00 O ATOM 1309 CB HIS A 84 6.024 14.580 -11.194 1.00 0.00 C ATOM 1310 CG HIS A 84 5.632 16.025 -11.202 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.258 16.982 -10.431 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.671 16.679 -11.899 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.700 18.159 -10.652 1.00 0.00 C ATOM 1314 NE2 HIS A 84 4.735 18.002 -11.539 1.00 0.00 N ATOM 0 H HIS A 84 6.696 12.295 -9.095 1.00 0.00 H new ATOM 0 HA HIS A 84 5.840 14.347 -9.065 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.110 14.508 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.630 14.102 -12.090 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.983 16.241 -12.606 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.985 19.091 -10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.134 18.744 -11.899 1.00 0.00 H new ATOM 1323 N VAL A 85 3.353 14.842 -9.677 1.00 0.00 N ATOM 1324 CA VAL A 85 1.897 14.892 -9.648 1.00 0.00 C ATOM 1325 C VAL A 85 1.312 14.734 -11.048 1.00 0.00 C ATOM 1326 O VAL A 85 1.965 15.047 -12.043 1.00 0.00 O ATOM 1327 CB VAL A 85 1.394 16.212 -9.035 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.118 16.198 -8.900 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.049 16.456 -7.686 1.00 0.00 C ATOM 0 H VAL A 85 3.809 15.727 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 85 1.563 14.062 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 85 1.669 17.028 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.453 17.140 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.570 16.072 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.418 15.373 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.682 17.393 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.806 15.637 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.130 16.514 -7.812 1.00 0.00 H new ATOM 1339 N ASP A 86 0.076 14.244 -11.117 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.596 14.042 -12.395 1.00 0.00 C ATOM 1341 C ASP A 86 -1.893 14.845 -12.471 1.00 0.00 C ATOM 1342 O ASP A 86 -2.304 15.272 -13.549 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.891 12.557 -12.609 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.066 11.959 -13.731 1.00 0.00 C ATOM 1345 OD1 ASP A 86 -0.263 12.366 -14.895 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.777 11.083 -13.446 1.00 0.00 O ATOM 0 H ASP A 86 -0.479 13.980 -10.303 1.00 0.00 H new ATOM 0 HA ASP A 86 0.070 14.394 -13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.692 12.013 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.950 12.428 -12.832 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.538 15.043 -11.323 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.789 15.792 -11.274 1.00 0.00 C ATOM 1353 C TYR A 87 -3.839 16.716 -10.061 1.00 0.00 C ATOM 1354 O TYR A 87 -4.393 17.814 -10.132 1.00 0.00 O ATOM 1355 CB TYR A 87 -4.980 14.832 -11.247 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.284 14.205 -12.589 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.134 14.829 -13.492 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -4.718 12.989 -12.952 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -6.413 14.260 -14.720 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -4.991 12.414 -14.179 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.840 13.052 -15.058 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.115 12.481 -16.280 1.00 0.00 O ATOM 0 H TYR A 87 -2.216 14.697 -10.419 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.842 16.408 -12.171 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.782 14.042 -10.523 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.862 15.370 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.585 15.775 -13.230 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.054 12.485 -12.265 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.076 14.759 -15.411 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.541 11.470 -14.448 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.631 11.633 -16.361 1.00 0.00 H new ATOM 1372 N SER A 88 -3.258 16.263 -8.953 1.00 0.00 N ATOM 1373 CA SER A 88 -3.229 17.040 -7.710 1.00 0.00 C ATOM 1374 C SER A 88 -4.642 17.326 -7.206 1.00 0.00 C ATOM 1375 O SER A 88 -5.590 17.380 -7.987 1.00 0.00 O ATOM 1376 CB SER A 88 -2.466 18.352 -7.907 1.00 0.00 C ATOM 1377 OG SER A 88 -2.012 18.496 -9.242 1.00 0.00 O ATOM 0 H SER A 88 -2.797 15.355 -8.888 1.00 0.00 H new ATOM 0 HA SER A 88 -2.711 16.443 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.112 19.191 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.615 18.384 -7.227 1.00 0.00 H new ATOM 0 HG SER A 88 -1.611 19.383 -9.357 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.783 17.493 -5.891 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.092 17.751 -5.302 1.00 0.00 C ATOM 1385 C ASN A 89 -6.055 18.840 -4.223 1.00 0.00 C ATOM 1386 O ASN A 89 -7.110 19.219 -3.712 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.648 16.460 -4.699 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.063 15.447 -5.745 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.257 15.780 -6.914 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.208 14.195 -5.322 1.00 0.00 N ATOM 0 H ASN A 89 -4.014 17.454 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.737 18.110 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.894 16.015 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.507 16.699 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.491 13.465 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.036 13.964 -4.343 1.00 0.00 H new ATOM 1397 N TRP A 90 -4.860 19.334 -3.861 1.00 0.00 N ATOM 1398 CA TRP A 90 -4.752 20.366 -2.830 1.00 0.00 C ATOM 1399 C TRP A 90 -5.909 21.354 -2.922 1.00 0.00 C ATOM 1400 O TRP A 90 -6.019 22.112 -3.885 1.00 0.00 O ATOM 1401 CB TRP A 90 -3.421 21.124 -2.911 1.00 0.00 C ATOM 1402 CG TRP A 90 -2.612 20.842 -4.139 1.00 0.00 C ATOM 1403 CD1 TRP A 90 -1.840 19.741 -4.377 1.00 0.00 C ATOM 1404 CD2 TRP A 90 -2.479 21.684 -5.289 1.00 0.00 C ATOM 1405 NE1 TRP A 90 -1.237 19.848 -5.606 1.00 0.00 N ATOM 1406 CE2 TRP A 90 -1.614 21.031 -6.187 1.00 0.00 C ATOM 1407 CE3 TRP A 90 -3.009 22.927 -5.649 1.00 0.00 C ATOM 1408 CZ2 TRP A 90 -1.267 21.577 -7.419 1.00 0.00 C ATOM 1409 CZ3 TRP A 90 -2.664 23.469 -6.873 1.00 0.00 C ATOM 1410 CH2 TRP A 90 -1.801 22.794 -7.745 1.00 0.00 C ATOM 0 H TRP A 90 -3.970 19.038 -4.263 1.00 0.00 H new ATOM 0 HA TRP A 90 -4.793 19.853 -1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -3.625 22.194 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -2.823 20.875 -2.034 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.721 18.909 -3.699 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.610 19.158 -6.020 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.676 23.454 -4.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -0.601 21.059 -8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.067 24.429 -7.161 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -1.552 23.243 -8.695 1.00 0.00 H new ATOM 1421 N ALA A 91 -6.769 21.313 -1.909 1.00 0.00 N ATOM 1422 CA ALA A 91 -7.946 22.176 -1.829 1.00 0.00 C ATOM 1423 C ALA A 91 -7.707 23.527 -2.502 1.00 0.00 C ATOM 1424 O ALA A 91 -6.725 24.209 -2.209 1.00 0.00 O ATOM 1425 CB ALA A 91 -8.344 22.379 -0.375 1.00 0.00 C ATOM 0 H ALA A 91 -6.670 20.678 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.757 21.681 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.222 23.023 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.575 21.414 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.520 22.845 0.166 1.00 0.00 H new ATOM 1431 N PRO A 92 -8.605 23.932 -3.420 1.00 0.00 N ATOM 1432 CA PRO A 92 -8.484 25.208 -4.136 1.00 0.00 C ATOM 1433 C PRO A 92 -8.436 26.402 -3.188 1.00 0.00 C ATOM 1434 O PRO A 92 -7.396 27.043 -3.034 1.00 0.00 O ATOM 1435 CB PRO A 92 -9.749 25.263 -5.000 1.00 0.00 C ATOM 1436 CG PRO A 92 -10.196 23.848 -5.120 1.00 0.00 C ATOM 1437 CD PRO A 92 -9.804 23.181 -3.833 1.00 0.00 C ATOM 0 HA PRO A 92 -7.560 25.261 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.517 25.881 -4.536 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.540 25.695 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.273 23.791 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.723 23.360 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.597 23.245 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.587 22.123 -3.977 1.00 0.00 H new ATOM 1445 N GLY A 93 -9.568 26.693 -2.554 1.00 0.00 N ATOM 1446 CA GLY A 93 -9.633 27.810 -1.629 1.00 0.00 C ATOM 1447 C GLY A 93 -9.565 27.367 -0.180 1.00 0.00 C ATOM 1448 O GLY A 93 -10.596 27.182 0.468 1.00 0.00 O ATOM 0 H GLY A 93 -10.440 26.176 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.812 28.497 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.559 28.361 -1.794 1.00 0.00 H new ATOM 1452 N GLU A 94 -8.349 27.199 0.326 1.00 0.00 N ATOM 1453 CA GLU A 94 -8.147 26.775 1.708 1.00 0.00 C ATOM 1454 C GLU A 94 -7.341 27.814 2.485 1.00 0.00 C ATOM 1455 O GLU A 94 -6.135 27.658 2.677 1.00 0.00 O ATOM 1456 CB GLU A 94 -7.435 25.422 1.749 1.00 0.00 C ATOM 1457 CG GLU A 94 -8.076 24.425 2.702 1.00 0.00 C ATOM 1458 CD GLU A 94 -7.620 24.614 4.136 1.00 0.00 C ATOM 1459 OE1 GLU A 94 -8.167 25.505 4.819 1.00 0.00 O ATOM 1460 OE2 GLU A 94 -6.717 23.872 4.575 1.00 0.00 O ATOM 0 H GLU A 94 -7.488 27.350 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.125 26.676 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.423 24.997 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.397 25.576 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.160 24.526 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.836 23.412 2.378 1.00 0.00 H new ATOM 1467 N PRO A 95 -8.001 28.894 2.943 1.00 0.00 N ATOM 1468 CA PRO A 95 -7.340 29.962 3.701 1.00 0.00 C ATOM 1469 C PRO A 95 -6.618 29.433 4.936 1.00 0.00 C ATOM 1470 O PRO A 95 -7.250 28.994 5.897 1.00 0.00 O ATOM 1471 CB PRO A 95 -8.494 30.881 4.112 1.00 0.00 C ATOM 1472 CG PRO A 95 -9.570 30.610 3.120 1.00 0.00 C ATOM 1473 CD PRO A 95 -9.439 29.159 2.756 1.00 0.00 C ATOM 0 HA PRO A 95 -6.572 30.461 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.829 30.666 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.192 31.928 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.553 30.819 3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.459 31.245 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.052 28.526 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.753 28.971 1.729 1.00 0.00 H new ATOM 1481 N THR A 96 -5.290 29.476 4.902 1.00 0.00 N ATOM 1482 CA THR A 96 -4.480 29.001 6.019 1.00 0.00 C ATOM 1483 C THR A 96 -4.697 29.868 7.255 1.00 0.00 C ATOM 1484 O THR A 96 -4.954 31.067 7.146 1.00 0.00 O ATOM 1485 CB THR A 96 -2.999 28.998 5.637 1.00 0.00 C ATOM 1486 OG1 THR A 96 -2.567 30.303 5.295 1.00 0.00 O ATOM 1487 CG2 THR A 96 -2.685 28.089 4.469 1.00 0.00 C ATOM 0 H THR A 96 -4.752 29.835 4.113 1.00 0.00 H new ATOM 0 HA THR A 96 -4.789 27.982 6.253 1.00 0.00 H new ATOM 0 HB THR A 96 -2.474 28.627 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.617 30.281 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.618 28.134 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.961 27.065 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.249 28.413 3.594 1.00 0.00 H new ATOM 1495 N SER A 97 -4.591 29.252 8.428 1.00 0.00 N ATOM 1496 CA SER A 97 -4.775 29.968 9.686 1.00 0.00 C ATOM 1497 C SER A 97 -3.702 31.036 9.866 1.00 0.00 C ATOM 1498 O SER A 97 -4.008 32.220 10.010 1.00 0.00 O ATOM 1499 CB SER A 97 -4.742 28.990 10.862 1.00 0.00 C ATOM 1500 OG SER A 97 -6.026 28.849 11.445 1.00 0.00 O ATOM 0 H SER A 97 -4.379 28.260 8.534 1.00 0.00 H new ATOM 0 HA SER A 97 -5.748 30.459 9.658 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.386 28.018 10.521 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.035 29.343 11.613 1.00 0.00 H new ATOM 0 HG SER A 97 -5.978 28.218 12.193 1.00 0.00 H new ATOM 1506 N ARG A 98 -2.443 30.608 9.857 1.00 0.00 N ATOM 1507 CA ARG A 98 -1.322 31.527 10.019 1.00 0.00 C ATOM 1508 C ARG A 98 -0.016 30.878 9.572 1.00 0.00 C ATOM 1509 O ARG A 98 1.043 31.506 9.601 1.00 0.00 O ATOM 1510 CB ARG A 98 -1.209 31.975 11.477 1.00 0.00 C ATOM 1511 CG ARG A 98 -1.128 33.483 11.647 1.00 0.00 C ATOM 1512 CD ARG A 98 -0.150 33.869 12.743 1.00 0.00 C ATOM 1513 NE ARG A 98 -0.457 35.177 13.317 1.00 0.00 N ATOM 1514 CZ ARG A 98 0.434 35.930 13.955 1.00 0.00 C ATOM 1515 NH1 ARG A 98 1.682 35.508 14.101 1.00 0.00 N ATOM 1516 NH2 ARG A 98 0.075 37.108 14.447 1.00 0.00 N ATOM 0 H ARG A 98 -2.174 29.631 9.739 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.507 32.399 9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.070 31.601 12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.323 31.520 11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.821 33.940 10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.116 33.877 11.885 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.171 33.114 13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.862 33.880 12.338 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.408 35.533 13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.962 34.603 13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.363 36.089 14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.884 37.436 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.758 37.686 14.937 1.00 0.00 H new ATOM 1530 N SER A 99 -0.099 29.617 9.159 1.00 0.00 N ATOM 1531 CA SER A 99 1.076 28.881 8.705 1.00 0.00 C ATOM 1532 C SER A 99 1.060 28.710 7.190 1.00 0.00 C ATOM 1533 O SER A 99 0.118 28.148 6.629 1.00 0.00 O ATOM 1534 CB SER A 99 1.139 27.512 9.384 1.00 0.00 C ATOM 1535 OG SER A 99 2.478 27.148 9.675 1.00 0.00 O ATOM 0 H SER A 99 -0.968 29.083 9.129 1.00 0.00 H new ATOM 0 HA SER A 99 1.961 29.456 8.978 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.556 27.532 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.687 26.760 8.737 1.00 0.00 H new ATOM 0 HG SER A 99 2.491 26.270 10.110 1.00 0.00 H new ATOM 1541 N GLN A 100 2.108 29.198 6.533 1.00 0.00 N ATOM 1542 CA GLN A 100 2.216 29.099 5.083 1.00 0.00 C ATOM 1543 C GLN A 100 3.061 27.894 4.682 1.00 0.00 C ATOM 1544 O GLN A 100 3.654 27.870 3.603 1.00 0.00 O ATOM 1545 CB GLN A 100 2.827 30.378 4.508 1.00 0.00 C ATOM 1546 CG GLN A 100 1.909 31.110 3.542 1.00 0.00 C ATOM 1547 CD GLN A 100 1.965 30.539 2.138 1.00 0.00 C ATOM 1548 OE1 GLN A 100 3.040 30.405 1.553 1.00 0.00 O ATOM 1549 NE2 GLN A 100 0.804 30.199 1.590 1.00 0.00 N ATOM 0 H GLN A 100 2.895 29.666 6.983 1.00 0.00 H new ATOM 0 HA GLN A 100 1.213 28.969 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.086 31.048 5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.756 30.128 3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.884 31.059 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.185 32.164 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.063 30.327 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.779 29.809 0.648 1.00 0.00 H new ATOM 1558 N GLY A 101 3.108 26.895 5.558 1.00 0.00 N ATOM 1559 CA GLY A 101 3.881 25.699 5.280 1.00 0.00 C ATOM 1560 C GLY A 101 3.332 24.912 4.107 1.00 0.00 C ATOM 1561 O GLY A 101 2.118 24.782 3.952 1.00 0.00 O ATOM 0 H GLY A 101 2.624 26.893 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.914 25.978 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.893 25.064 6.166 1.00 0.00 H new ATOM 1565 N GLU A 102 4.229 24.386 3.279 1.00 0.00 N ATOM 1566 CA GLU A 102 3.832 23.605 2.112 1.00 0.00 C ATOM 1567 C GLU A 102 4.953 22.668 1.679 1.00 0.00 C ATOM 1568 O GLU A 102 6.024 23.116 1.269 1.00 0.00 O ATOM 1569 CB GLU A 102 3.453 24.535 0.957 1.00 0.00 C ATOM 1570 CG GLU A 102 1.963 24.818 0.866 1.00 0.00 C ATOM 1571 CD GLU A 102 1.664 26.267 0.530 1.00 0.00 C ATOM 1572 OE1 GLU A 102 1.549 27.082 1.469 1.00 0.00 O ATOM 1573 OE2 GLU A 102 1.545 26.584 -0.673 1.00 0.00 O ATOM 0 H GLU A 102 5.237 24.487 3.395 1.00 0.00 H new ATOM 0 HA GLU A 102 2.965 23.003 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.987 25.478 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.788 24.091 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.520 24.174 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.490 24.564 1.815 1.00 0.00 H new ATOM 1580 N ASP A 103 4.701 21.365 1.770 1.00 0.00 N ATOM 1581 CA ASP A 103 5.695 20.369 1.386 1.00 0.00 C ATOM 1582 C ASP A 103 5.034 19.058 0.973 1.00 0.00 C ATOM 1583 O ASP A 103 5.001 18.716 -0.207 1.00 0.00 O ATOM 1584 CB ASP A 103 6.674 20.124 2.533 1.00 0.00 C ATOM 1585 CG ASP A 103 7.970 19.491 2.063 1.00 0.00 C ATOM 1586 OD1 ASP A 103 7.909 18.418 1.429 1.00 0.00 O ATOM 1587 OD2 ASP A 103 9.044 20.070 2.329 1.00 0.00 O ATOM 0 H ASP A 103 3.820 20.976 2.105 1.00 0.00 H new ATOM 0 HA ASP A 103 6.242 20.758 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.894 21.070 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.205 19.478 3.275 1.00 0.00 H new ATOM 1592 N CYS A 104 4.498 18.326 1.946 1.00 0.00 N ATOM 1593 CA CYS A 104 3.838 17.062 1.660 1.00 0.00 C ATOM 1594 C CYS A 104 2.331 17.244 1.658 1.00 0.00 C ATOM 1595 O CYS A 104 1.783 18.023 2.436 1.00 0.00 O ATOM 1596 CB CYS A 104 4.243 15.986 2.672 1.00 0.00 C ATOM 1597 SG CYS A 104 6.042 15.701 2.778 1.00 0.00 S ATOM 0 H CYS A 104 4.509 18.587 2.932 1.00 0.00 H new ATOM 0 HA CYS A 104 4.155 16.731 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.873 16.271 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.753 15.049 2.406 1.00 0.00 H new ATOM 1602 N VAL A 105 1.665 16.535 0.765 1.00 0.00 N ATOM 1603 CA VAL A 105 0.225 16.633 0.649 1.00 0.00 C ATOM 1604 C VAL A 105 -0.487 15.593 1.503 1.00 0.00 C ATOM 1605 O VAL A 105 -0.160 14.406 1.473 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.226 16.487 -0.812 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.739 16.532 -0.907 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.397 17.576 -1.668 1.00 0.00 C ATOM 0 H VAL A 105 2.100 15.885 0.110 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.048 17.624 1.012 1.00 0.00 H new ATOM 0 HB VAL A 105 0.111 15.520 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.041 16.427 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.165 15.717 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.100 17.484 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.068 17.460 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.087 18.553 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.483 17.498 -1.622 1.00 0.00 H new ATOM 1618 N MET A 106 -1.472 16.061 2.255 1.00 0.00 N ATOM 1619 CA MET A 106 -2.266 15.211 3.125 1.00 0.00 C ATOM 1620 C MET A 106 -3.728 15.256 2.699 1.00 0.00 C ATOM 1621 O MET A 106 -4.119 16.089 1.892 1.00 0.00 O ATOM 1622 CB MET A 106 -2.125 15.654 4.584 1.00 0.00 C ATOM 1623 CG MET A 106 -2.941 16.892 4.929 1.00 0.00 C ATOM 1624 SD MET A 106 -4.387 16.510 5.938 1.00 0.00 S ATOM 1625 CE MET A 106 -4.833 18.144 6.522 1.00 0.00 C ATOM 0 H MET A 106 -1.743 17.044 2.278 1.00 0.00 H new ATOM 0 HA MET A 106 -1.902 14.187 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.431 14.835 5.234 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.074 15.852 4.794 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.309 17.603 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.263 17.379 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.691 18.196 7.601 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.202 18.889 6.037 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.878 18.343 6.283 1.00 0.00 H new ATOM 1635 N MET A 107 -4.530 14.356 3.240 1.00 0.00 N ATOM 1636 CA MET A 107 -5.947 14.303 2.905 1.00 0.00 C ATOM 1637 C MET A 107 -6.788 14.403 4.174 1.00 0.00 C ATOM 1638 O MET A 107 -6.513 13.721 5.158 1.00 0.00 O ATOM 1639 CB MET A 107 -6.259 12.999 2.165 1.00 0.00 C ATOM 1640 CG MET A 107 -7.704 12.552 2.289 1.00 0.00 C ATOM 1641 SD MET A 107 -8.007 11.552 3.758 1.00 0.00 S ATOM 1642 CE MET A 107 -9.577 12.223 4.302 1.00 0.00 C ATOM 0 H MET A 107 -4.227 13.652 3.913 1.00 0.00 H new ATOM 0 HA MET A 107 -6.191 15.144 2.256 1.00 0.00 H new ATOM 0 HB2 MET A 107 -6.017 13.125 1.110 1.00 0.00 H new ATOM 0 HB3 MET A 107 -5.611 12.211 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.349 13.430 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 107 -7.979 11.979 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 107 -9.581 12.304 5.389 1.00 0.00 H new ATOM 0 HE2 MET A 107 -9.722 13.210 3.864 1.00 0.00 H new ATOM 0 HE3 MET A 107 -10.384 11.563 3.985 1.00 0.00 H new ATOM 1652 N ARG A 108 -7.807 15.258 4.150 1.00 0.00 N ATOM 1653 CA ARG A 108 -8.673 15.433 5.314 1.00 0.00 C ATOM 1654 C ARG A 108 -9.889 16.298 4.983 1.00 0.00 C ATOM 1655 O ARG A 108 -10.872 15.811 4.423 1.00 0.00 O ATOM 1656 CB ARG A 108 -7.887 16.051 6.472 1.00 0.00 C ATOM 1657 CG ARG A 108 -8.277 15.501 7.834 1.00 0.00 C ATOM 1658 CD ARG A 108 -7.965 16.489 8.946 1.00 0.00 C ATOM 1659 NE ARG A 108 -8.421 16.009 10.248 1.00 0.00 N ATOM 1660 CZ ARG A 108 -7.725 16.153 11.372 1.00 0.00 C ATOM 1661 NH1 ARG A 108 -6.545 16.762 11.353 1.00 0.00 N ATOM 1662 NH2 ARG A 108 -8.208 15.688 12.516 1.00 0.00 N ATOM 0 H ARG A 108 -8.052 15.836 3.346 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.033 14.448 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.823 15.878 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.039 17.130 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.342 15.268 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.745 14.567 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.890 16.667 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.440 17.445 8.725 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.324 15.537 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.170 17.121 10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.013 16.871 12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.114 15.220 12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.674 15.799 13.378 1.00 0.00 H new ATOM 1676 N GLY A 109 -9.822 17.577 5.343 1.00 0.00 N ATOM 1677 CA GLY A 109 -10.926 18.484 5.088 1.00 0.00 C ATOM 1678 C GLY A 109 -11.246 18.627 3.613 1.00 0.00 C ATOM 1679 O GLY A 109 -10.432 18.280 2.756 1.00 0.00 O ATOM 0 H GLY A 109 -9.020 18.002 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.812 18.126 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.686 19.465 5.499 1.00 0.00 H new ATOM 1683 N SER A 110 -12.439 19.141 3.323 1.00 0.00 N ATOM 1684 CA SER A 110 -12.884 19.343 1.947 1.00 0.00 C ATOM 1685 C SER A 110 -12.994 18.016 1.197 1.00 0.00 C ATOM 1686 O SER A 110 -13.228 17.994 -0.011 1.00 0.00 O ATOM 1687 CB SER A 110 -11.930 20.285 1.212 1.00 0.00 C ATOM 1688 OG SER A 110 -11.713 21.472 1.956 1.00 0.00 O ATOM 0 H SER A 110 -13.119 19.427 4.028 1.00 0.00 H new ATOM 0 HA SER A 110 -13.875 19.795 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.979 19.782 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.342 20.535 0.234 1.00 0.00 H new ATOM 0 HG SER A 110 -11.098 22.057 1.466 1.00 0.00 H new ATOM 1694 N GLY A 111 -12.830 16.913 1.923 1.00 0.00 N ATOM 1695 CA GLY A 111 -12.919 15.599 1.312 1.00 0.00 C ATOM 1696 C GLY A 111 -11.903 15.389 0.209 1.00 0.00 C ATOM 1697 O GLY A 111 -12.106 14.556 -0.675 1.00 0.00 O ATOM 0 H GLY A 111 -12.637 16.907 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.777 14.838 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.921 15.460 0.906 1.00 0.00 H new ATOM 1701 N ARG A 112 -10.806 16.136 0.255 1.00 0.00 N ATOM 1702 CA ARG A 112 -9.766 16.005 -0.751 1.00 0.00 C ATOM 1703 C ARG A 112 -8.375 16.070 -0.125 1.00 0.00 C ATOM 1704 O ARG A 112 -8.126 15.490 0.931 1.00 0.00 O ATOM 1705 CB ARG A 112 -9.924 17.071 -1.841 1.00 0.00 C ATOM 1706 CG ARG A 112 -9.941 18.501 -1.331 1.00 0.00 C ATOM 1707 CD ARG A 112 -11.135 19.261 -1.881 1.00 0.00 C ATOM 1708 NE ARG A 112 -10.795 20.021 -3.081 1.00 0.00 N ATOM 1709 CZ ARG A 112 -11.158 19.660 -4.309 1.00 0.00 C ATOM 1710 NH1 ARG A 112 -11.871 18.558 -4.497 1.00 0.00 N ATOM 1711 NH2 ARG A 112 -10.809 20.403 -5.350 1.00 0.00 N ATOM 0 H ARG A 112 -10.617 16.834 0.975 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.875 15.024 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.108 16.964 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.850 16.882 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.975 18.502 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.019 19.005 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.936 18.559 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.515 19.940 -1.118 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.249 20.876 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.143 17.984 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.148 18.284 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.262 21.252 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.088 20.125 -6.291 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.476 16.772 -0.796 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.102 16.923 -0.349 1.00 0.00 C ATOM 1727 C TRP A 113 -5.839 18.318 0.165 1.00 0.00 C ATOM 1728 O TRP A 113 -6.549 19.264 -0.160 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.119 16.715 -1.492 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.099 15.363 -2.110 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.925 14.306 -1.872 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.180 14.945 -3.112 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.569 13.248 -2.676 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.493 13.618 -3.444 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.117 15.580 -3.758 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.774 12.904 -4.401 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.405 14.873 -4.709 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.736 13.547 -5.022 1.00 0.00 C ATOM 0 H TRP A 113 -7.681 17.255 -1.671 1.00 0.00 H new ATOM 0 HA TRP A 113 -5.965 16.178 0.434 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.343 17.443 -2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.117 16.938 -1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.737 14.300 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.029 12.338 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.857 16.601 -3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.026 11.882 -4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.581 15.350 -5.219 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.160 13.021 -5.769 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.758 18.437 0.907 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.309 19.711 1.402 1.00 0.00 C ATOM 1751 C ASN A 114 -2.789 19.731 1.348 1.00 0.00 C ATOM 1752 O ASN A 114 -2.123 18.908 1.973 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.798 19.943 2.833 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.301 20.122 2.908 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.820 21.218 2.697 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.012 19.041 3.211 1.00 0.00 N ATOM 0 H ASN A 114 -4.169 17.650 1.181 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.717 20.511 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.504 19.098 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.309 20.827 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.028 19.101 3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.542 18.152 3.378 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.251 20.669 0.588 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.811 20.796 0.433 1.00 0.00 C ATOM 1765 C ASP A 115 -0.218 21.679 1.529 1.00 0.00 C ATOM 1766 O ASP A 115 -0.480 22.881 1.579 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.492 21.371 -0.946 1.00 0.00 C ATOM 1768 CG ASP A 115 0.999 21.402 -1.219 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.591 20.319 -1.409 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.575 22.510 -1.237 1.00 0.00 O ATOM 0 H ASP A 115 -2.793 21.358 0.066 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.362 19.807 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.988 20.774 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.895 22.381 -1.019 1.00 0.00 H new ATOM 1775 N ALA A 116 0.580 21.074 2.410 1.00 0.00 N ATOM 1776 CA ALA A 116 1.202 21.801 3.504 1.00 0.00 C ATOM 1777 C ALA A 116 2.439 21.070 4.007 1.00 0.00 C ATOM 1778 O ALA A 116 2.609 19.881 3.749 1.00 0.00 O ATOM 1779 CB ALA A 116 0.208 22.006 4.637 1.00 0.00 C ATOM 0 H ALA A 116 0.808 20.080 2.382 1.00 0.00 H new ATOM 0 HA ALA A 116 1.512 22.777 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.689 22.552 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.647 22.576 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.132 21.037 5.003 1.00 0.00 H new ATOM 1785 N PHE A 117 3.297 21.784 4.728 1.00 0.00 N ATOM 1786 CA PHE A 117 4.517 21.193 5.272 1.00 0.00 C ATOM 1787 C PHE A 117 4.228 19.815 5.861 1.00 0.00 C ATOM 1788 O PHE A 117 3.147 19.577 6.398 1.00 0.00 O ATOM 1789 CB PHE A 117 5.112 22.100 6.349 1.00 0.00 C ATOM 1790 CG PHE A 117 6.570 22.401 6.143 1.00 0.00 C ATOM 1791 CD1 PHE A 117 6.976 23.292 5.161 1.00 0.00 C ATOM 1792 CD2 PHE A 117 7.534 21.792 6.930 1.00 0.00 C ATOM 1793 CE1 PHE A 117 8.316 23.569 4.970 1.00 0.00 C ATOM 1794 CE2 PHE A 117 8.876 22.066 6.742 1.00 0.00 C ATOM 1795 CZ PHE A 117 9.267 22.956 5.761 1.00 0.00 C ATOM 0 H PHE A 117 3.171 22.772 4.950 1.00 0.00 H new ATOM 0 HA PHE A 117 5.236 21.085 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 117 4.556 23.037 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.981 21.628 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.237 23.775 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 117 7.234 21.096 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 117 8.619 24.265 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.618 21.584 7.362 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.315 23.172 5.613 1.00 0.00 H new ATOM 1805 N CYS A 118 5.193 18.909 5.747 1.00 0.00 N ATOM 1806 CA CYS A 118 5.032 17.552 6.262 1.00 0.00 C ATOM 1807 C CYS A 118 5.102 17.533 7.787 1.00 0.00 C ATOM 1808 O CYS A 118 6.074 17.047 8.369 1.00 0.00 O ATOM 1809 CB CYS A 118 6.101 16.632 5.672 1.00 0.00 C ATOM 1810 SG CYS A 118 6.703 17.154 4.034 1.00 0.00 S ATOM 0 H CYS A 118 6.094 19.088 5.304 1.00 0.00 H new ATOM 0 HA CYS A 118 4.048 17.190 5.963 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.945 16.584 6.360 1.00 0.00 H new ATOM 0 HB3 CYS A 118 5.695 15.623 5.595 1.00 0.00 H new ATOM 1815 N ASP A 119 4.063 18.061 8.425 1.00 0.00 N ATOM 1816 CA ASP A 119 3.993 18.107 9.881 1.00 0.00 C ATOM 1817 C ASP A 119 2.609 18.560 10.338 1.00 0.00 C ATOM 1818 O ASP A 119 2.479 19.338 11.284 1.00 0.00 O ATOM 1819 CB ASP A 119 5.062 19.051 10.437 1.00 0.00 C ATOM 1820 CG ASP A 119 5.923 18.388 11.494 1.00 0.00 C ATOM 1821 OD1 ASP A 119 5.504 18.364 12.671 1.00 0.00 O ATOM 1822 OD2 ASP A 119 7.016 17.894 11.147 1.00 0.00 O ATOM 0 H ASP A 119 3.254 18.465 7.954 1.00 0.00 H new ATOM 0 HA ASP A 119 4.176 17.103 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.696 19.399 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.580 19.931 10.864 1.00 0.00 H new ATOM 1827 N ARG A 120 1.578 18.070 9.655 1.00 0.00 N ATOM 1828 CA ARG A 120 0.202 18.426 9.982 1.00 0.00 C ATOM 1829 C ARG A 120 -0.222 17.809 11.317 1.00 0.00 C ATOM 1830 O ARG A 120 0.314 18.167 12.366 1.00 0.00 O ATOM 1831 CB ARG A 120 -0.740 17.981 8.860 1.00 0.00 C ATOM 1832 CG ARG A 120 -0.527 18.729 7.555 1.00 0.00 C ATOM 1833 CD ARG A 120 -1.666 19.694 7.273 1.00 0.00 C ATOM 1834 NE ARG A 120 -1.281 21.082 7.518 1.00 0.00 N ATOM 1835 CZ ARG A 120 -2.121 22.109 7.422 1.00 0.00 C ATOM 1836 NH1 ARG A 120 -3.387 21.906 7.085 1.00 0.00 N ATOM 1837 NH2 ARG A 120 -1.693 23.341 7.661 1.00 0.00 N ATOM 0 H ARG A 120 1.670 17.424 8.871 1.00 0.00 H new ATOM 0 HA ARG A 120 0.143 19.510 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.603 16.914 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -1.771 18.121 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.414 19.278 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.442 18.016 6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.986 19.584 6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.521 19.439 7.899 1.00 0.00 H new ATOM 0 HE ARG A 120 -0.313 21.274 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.720 20.960 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.028 22.696 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.719 23.502 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.338 24.128 7.587 1.00 0.00 H new ATOM 1851 N LYS A 121 -1.184 16.885 11.277 1.00 0.00 N ATOM 1852 CA LYS A 121 -1.668 16.233 12.490 1.00 0.00 C ATOM 1853 C LYS A 121 -2.697 15.156 12.157 1.00 0.00 C ATOM 1854 O LYS A 121 -3.797 15.141 12.711 1.00 0.00 O ATOM 1855 CB LYS A 121 -2.283 17.264 13.439 1.00 0.00 C ATOM 1856 CG LYS A 121 -2.285 16.827 14.895 1.00 0.00 C ATOM 1857 CD LYS A 121 -0.940 17.081 15.555 1.00 0.00 C ATOM 1858 CE LYS A 121 -0.146 15.795 15.714 1.00 0.00 C ATOM 1859 NZ LYS A 121 -0.882 14.784 16.521 1.00 0.00 N ATOM 0 H LYS A 121 -1.640 16.574 10.420 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.817 15.759 12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.733 18.201 13.350 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -3.308 17.466 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.064 17.364 15.436 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.527 15.766 14.957 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.369 17.791 14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.094 17.538 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.077 15.382 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.809 16.015 16.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.202 14.161 17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.470 15.267 17.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.489 14.216 15.896 1.00 0.00 H new ATOM 1872 N LEU A 122 -2.332 14.253 11.252 1.00 0.00 N ATOM 1873 CA LEU A 122 -3.224 13.173 10.851 1.00 0.00 C ATOM 1874 C LEU A 122 -3.102 11.996 11.814 1.00 0.00 C ATOM 1875 O LEU A 122 -2.565 12.140 12.913 1.00 0.00 O ATOM 1876 CB LEU A 122 -2.904 12.727 9.423 1.00 0.00 C ATOM 1877 CG LEU A 122 -3.349 13.698 8.328 1.00 0.00 C ATOM 1878 CD1 LEU A 122 -2.346 14.830 8.181 1.00 0.00 C ATOM 1879 CD2 LEU A 122 -3.523 12.965 7.007 1.00 0.00 C ATOM 0 H LEU A 122 -1.426 14.249 10.784 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.250 13.539 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.828 12.576 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.377 11.761 9.245 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.310 14.125 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.678 15.511 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.268 15.372 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.371 14.420 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.840 13.670 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.576 12.512 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.278 12.187 7.119 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.604 10.832 11.407 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.534 9.665 12.267 1.00 0.00 C ATOM 1893 C GLY A 123 -3.720 8.355 11.524 1.00 0.00 C ATOM 1894 O GLY A 123 -3.892 7.307 12.147 1.00 0.00 O ATOM 0 H GLY A 123 -4.054 10.678 10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.568 9.653 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.298 9.747 13.040 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.681 8.402 10.195 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.844 7.197 9.394 1.00 0.00 C ATOM 1900 C ALA A 124 -2.808 7.134 8.278 1.00 0.00 C ATOM 1901 O ALA A 124 -2.639 8.090 7.523 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.249 7.132 8.817 1.00 0.00 C ATOM 0 H ALA A 124 -3.539 9.256 9.655 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.691 6.336 10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.356 6.226 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.976 7.120 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.424 8.004 8.187 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.124 5.998 8.172 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.114 5.811 7.143 1.00 0.00 C ATOM 1910 C TRP A 125 -1.665 4.972 5.998 1.00 0.00 C ATOM 1911 O TRP A 125 -2.317 3.943 6.214 1.00 0.00 O ATOM 1912 CB TRP A 125 0.159 5.166 7.718 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.080 3.990 8.627 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -1.212 3.234 8.730 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.855 3.435 9.562 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -1.041 2.250 9.673 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.220 2.351 10.196 1.00 0.00 C ATOM 1918 CE3 TRP A 125 2.167 3.750 9.925 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.852 1.583 11.171 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.794 2.986 10.892 1.00 0.00 C ATOM 1921 CH2 TRP A 125 2.136 1.914 11.505 1.00 0.00 C ATOM 0 H TRP A 125 -2.253 5.195 8.788 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.846 6.795 6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.791 4.844 6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.716 5.924 8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.112 3.387 8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.740 1.557 9.940 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.683 4.576 9.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.346 0.756 11.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.808 3.221 11.179 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.653 1.336 12.257 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.420 5.423 4.777 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.907 4.715 3.612 1.00 0.00 C ATOM 1934 C VAL A 126 -0.819 4.519 2.555 1.00 0.00 C ATOM 1935 O VAL A 126 -0.142 5.462 2.147 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.129 5.430 2.997 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.129 6.903 3.346 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.193 5.226 1.494 1.00 0.00 C ATOM 0 H VAL A 126 -0.890 6.270 4.572 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.214 3.727 3.954 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.024 4.982 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.000 7.383 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.165 7.020 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.222 7.368 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.065 5.743 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.290 5.628 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.269 4.161 1.274 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.681 3.271 2.119 1.00 0.00 N ATOM 1949 CA CYS A 127 0.295 2.877 1.100 1.00 0.00 C ATOM 1950 C CYS A 127 -0.329 1.844 0.179 1.00 0.00 C ATOM 1951 O CYS A 127 -1.339 1.255 0.521 1.00 0.00 O ATOM 1952 CB CYS A 127 1.560 2.304 1.736 1.00 0.00 C ATOM 1953 SG CYS A 127 2.358 3.410 2.940 1.00 0.00 S ATOM 0 H CYS A 127 -1.247 2.495 2.464 1.00 0.00 H new ATOM 0 HA CYS A 127 0.576 3.763 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.311 1.366 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.275 2.068 0.947 1.00 0.00 H new ATOM 1958 N ASP A 128 0.257 1.600 -0.982 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.312 0.613 -1.879 1.00 0.00 C ATOM 1960 C ASP A 128 0.704 -0.453 -2.237 1.00 0.00 C ATOM 1961 O ASP A 128 1.889 -0.179 -2.410 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.841 1.283 -3.149 1.00 0.00 C ATOM 1963 CG ASP A 128 0.117 2.322 -3.702 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.333 2.207 -3.447 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.352 3.250 -4.393 1.00 0.00 O ATOM 0 H ASP A 128 1.104 2.059 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.142 0.133 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.024 0.522 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.799 1.756 -2.934 1.00 0.00 H new ATOM 1970 N ARG A 129 0.208 -1.674 -2.341 1.00 0.00 N ATOM 1971 CA ARG A 129 1.026 -2.830 -2.669 1.00 0.00 C ATOM 1972 C ARG A 129 0.158 -3.908 -3.298 1.00 0.00 C ATOM 1973 O ARG A 129 -1.044 -3.965 -3.047 1.00 0.00 O ATOM 1974 CB ARG A 129 1.704 -3.371 -1.406 1.00 0.00 C ATOM 1975 CG ARG A 129 2.426 -4.694 -1.611 1.00 0.00 C ATOM 1976 CD ARG A 129 1.892 -5.768 -0.677 1.00 0.00 C ATOM 1977 NE ARG A 129 2.896 -6.789 -0.387 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.885 -7.543 0.709 1.00 0.00 C ATOM 1979 NH1 ARG A 129 1.926 -7.391 1.614 1.00 0.00 N ATOM 1980 NH2 ARG A 129 3.831 -8.451 0.900 1.00 0.00 N ATOM 0 H ARG A 129 -0.778 -1.893 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 129 1.797 -2.532 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.418 -2.631 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.952 -3.496 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.309 -5.018 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.494 -4.558 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.563 -5.308 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.017 -6.237 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 129 3.647 -6.932 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.195 -6.695 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.920 -7.971 2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.569 -8.572 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.821 -9.028 1.741 1.00 0.00 H new ATOM 1994 N LEU A 130 0.762 -4.762 -4.110 1.00 0.00 N ATOM 1995 CA LEU A 130 0.015 -5.831 -4.760 1.00 0.00 C ATOM 1996 C LEU A 130 -0.495 -6.833 -3.733 1.00 0.00 C ATOM 1997 O LEU A 130 0.245 -7.272 -2.853 1.00 0.00 O ATOM 1998 CB LEU A 130 0.883 -6.532 -5.805 1.00 0.00 C ATOM 1999 CG LEU A 130 1.678 -5.595 -6.718 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.208 -6.350 -7.926 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.822 -4.413 -7.158 1.00 0.00 C ATOM 0 H LEU A 130 1.757 -4.738 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.845 -5.389 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.581 -7.193 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.244 -7.162 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 130 2.527 -5.209 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.770 -5.668 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.861 -7.157 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.373 -6.768 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.408 -3.761 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.049 -4.777 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.495 -3.854 -6.281 1.00 0.00 H new ATOM 2013 N ALA A 131 -1.771 -7.180 -3.848 1.00 0.00 N ATOM 2014 CA ALA A 131 -2.398 -8.121 -2.928 1.00 0.00 C ATOM 2015 C ALA A 131 -1.806 -9.516 -3.072 1.00 0.00 C ATOM 2016 O ALA A 131 -2.009 -10.185 -4.085 1.00 0.00 O ATOM 2017 CB ALA A 131 -3.902 -8.159 -3.155 1.00 0.00 C ATOM 0 H ALA A 131 -2.394 -6.822 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 131 -2.201 -7.778 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.357 -8.866 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.320 -7.166 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.108 -8.472 -4.179 1.00 0.00 H new ATOM 2023 N THR A 132 -1.075 -9.951 -2.052 1.00 0.00 N ATOM 2024 CA THR A 132 -0.458 -11.267 -2.067 1.00 0.00 C ATOM 2025 C THR A 132 -0.732 -12.017 -0.767 1.00 0.00 C ATOM 2026 O THR A 132 -0.594 -11.464 0.324 1.00 0.00 O ATOM 2027 CB THR A 132 1.050 -11.147 -2.294 1.00 0.00 C ATOM 2028 OG1 THR A 132 1.683 -10.568 -1.166 1.00 0.00 O ATOM 2029 CG2 THR A 132 1.411 -10.311 -3.502 1.00 0.00 C ATOM 0 H THR A 132 -0.897 -9.410 -1.206 1.00 0.00 H new ATOM 0 HA THR A 132 -0.897 -11.833 -2.888 1.00 0.00 H new ATOM 0 HB THR A 132 1.397 -12.166 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.647 -10.501 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.495 -10.268 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 132 0.980 -10.760 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 132 1.018 -9.302 -3.377 1.00 0.00 H new ATOM 2037 N CYS A 133 -1.120 -13.283 -0.895 1.00 0.00 N ATOM 2038 CA CYS A 133 -1.413 -14.116 0.267 1.00 0.00 C ATOM 2039 C CYS A 133 -0.328 -15.168 0.462 1.00 0.00 C ATOM 2040 O CYS A 133 0.240 -15.296 1.547 1.00 0.00 O ATOM 2041 CB CYS A 133 -2.774 -14.795 0.101 1.00 0.00 C ATOM 2042 SG CYS A 133 -3.020 -15.581 -1.524 1.00 0.00 S ATOM 0 H CYS A 133 -1.239 -13.754 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 133 -1.439 -13.476 1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -2.889 -15.550 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -3.559 -14.055 0.257 1.00 0.00 H new ATOM 2047 N THR A 134 -0.045 -15.920 -0.597 1.00 0.00 N ATOM 2048 CA THR A 134 0.972 -16.964 -0.549 1.00 0.00 C ATOM 2049 C THR A 134 1.647 -17.123 -1.911 1.00 0.00 C ATOM 2050 O THR A 134 1.095 -17.750 -2.815 1.00 0.00 O ATOM 2051 CB THR A 134 0.352 -18.293 -0.116 1.00 0.00 C ATOM 2052 OG1 THR A 134 -0.630 -18.086 0.884 1.00 0.00 O ATOM 2053 CG2 THR A 134 1.363 -19.276 0.430 1.00 0.00 C ATOM 0 H THR A 134 -0.507 -15.825 -1.501 1.00 0.00 H new ATOM 0 HA THR A 134 1.726 -16.671 0.182 1.00 0.00 H new ATOM 0 HB THR A 134 -0.087 -18.714 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 134 -1.016 -18.948 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 134 0.856 -20.197 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 134 2.107 -19.496 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 134 1.856 -18.845 1.302 1.00 0.00 H new ATOM 2061 N PRO A 135 2.856 -16.553 -2.075 1.00 0.00 N ATOM 2062 CA PRO A 135 3.603 -16.634 -3.335 1.00 0.00 C ATOM 2063 C PRO A 135 3.766 -18.073 -3.822 1.00 0.00 C ATOM 2064 O PRO A 135 4.454 -18.875 -3.190 1.00 0.00 O ATOM 2065 CB PRO A 135 4.966 -16.033 -2.983 1.00 0.00 C ATOM 2066 CG PRO A 135 4.696 -15.134 -1.826 1.00 0.00 C ATOM 2067 CD PRO A 135 3.586 -15.784 -1.049 1.00 0.00 C ATOM 0 HA PRO A 135 3.090 -16.115 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 135 5.685 -16.809 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 135 5.384 -15.481 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 135 5.586 -15.014 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 135 4.406 -14.139 -2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 135 3.972 -16.431 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 135 2.945 -15.045 -0.569 1.00 0.00 H new ATOM 2075 N PRO A 136 3.130 -18.420 -4.957 1.00 0.00 N ATOM 2076 CA PRO A 136 3.208 -19.771 -5.525 1.00 0.00 C ATOM 2077 C PRO A 136 4.647 -20.228 -5.739 1.00 0.00 C ATOM 2078 O PRO A 136 5.322 -19.776 -6.664 1.00 0.00 O ATOM 2079 CB PRO A 136 2.485 -19.639 -6.869 1.00 0.00 C ATOM 2080 CG PRO A 136 1.575 -18.472 -6.698 1.00 0.00 C ATOM 2081 CD PRO A 136 2.287 -17.527 -5.773 1.00 0.00 C ATOM 0 HA PRO A 136 2.768 -20.515 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 136 3.191 -19.475 -7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 136 1.927 -20.544 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 136 1.365 -17.997 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 136 0.617 -18.781 -6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 136 2.885 -16.801 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 136 1.586 -16.962 -5.158 1.00 0.00 H new ATOM 2089 N ALA A 137 5.110 -21.129 -4.877 1.00 0.00 N ATOM 2090 CA ALA A 137 6.468 -21.649 -4.970 1.00 0.00 C ATOM 2091 C ALA A 137 6.612 -22.595 -6.157 1.00 0.00 C ATOM 2092 O ALA A 137 6.088 -23.709 -6.143 1.00 0.00 O ATOM 2093 CB ALA A 137 6.852 -22.356 -3.679 1.00 0.00 C ATOM 0 H ALA A 137 4.563 -21.513 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 137 7.144 -20.808 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 137 7.869 -22.739 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.797 -21.652 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 137 6.166 -23.184 -3.499 1.00 0.00 H new ATOM 2099 N SER A 138 7.325 -22.144 -7.184 1.00 0.00 N ATOM 2100 CA SER A 138 7.539 -22.948 -8.381 1.00 0.00 C ATOM 2101 C SER A 138 8.836 -23.743 -8.279 1.00 0.00 C ATOM 2102 O SER A 138 9.534 -23.684 -7.267 1.00 0.00 O ATOM 2103 CB SER A 138 7.569 -22.055 -9.622 1.00 0.00 C ATOM 2104 OG SER A 138 6.305 -22.026 -10.263 1.00 0.00 O ATOM 0 H SER A 138 7.765 -21.224 -7.211 1.00 0.00 H new ATOM 0 HA SER A 138 6.711 -23.651 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.859 -21.043 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.324 -22.420 -10.318 1.00 0.00 H new ATOM 0 HG SER A 138 6.352 -21.447 -11.052 1.00 0.00 H new ATOM 2110 N GLU A 139 9.152 -24.487 -9.335 1.00 0.00 N ATOM 2111 CA GLU A 139 10.366 -25.295 -9.366 1.00 0.00 C ATOM 2112 C GLU A 139 11.395 -24.693 -10.318 1.00 0.00 C ATOM 2113 O GLU A 139 12.595 -24.707 -10.040 1.00 0.00 O ATOM 2114 CB GLU A 139 10.039 -26.728 -9.790 1.00 0.00 C ATOM 2115 CG GLU A 139 9.483 -27.584 -8.665 1.00 0.00 C ATOM 2116 CD GLU A 139 9.235 -29.018 -9.091 1.00 0.00 C ATOM 2117 OE1 GLU A 139 8.168 -29.284 -9.684 1.00 0.00 O ATOM 2118 OE2 GLU A 139 10.106 -29.874 -8.833 1.00 0.00 O ATOM 0 H GLU A 139 8.584 -24.547 -10.180 1.00 0.00 H new ATOM 0 HA GLU A 139 10.790 -25.308 -8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 139 9.316 -26.701 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.942 -27.197 -10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.180 -27.573 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 139 8.550 -27.148 -8.309 1.00 0.00 H new ATOM 2125 N GLY A 140 10.918 -24.167 -11.441 1.00 0.00 N ATOM 2126 CA GLY A 140 11.808 -23.568 -12.418 1.00 0.00 C ATOM 2127 C GLY A 140 12.433 -22.280 -11.921 1.00 0.00 C ATOM 2128 O GLY A 140 11.738 -21.399 -11.415 1.00 0.00 O ATOM 0 H GLY A 140 9.930 -24.145 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 140 12.597 -24.277 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 140 11.254 -23.369 -13.335 1.00 0.00 H new ATOM 2132 N SER A 141 13.751 -22.170 -12.064 1.00 0.00 N ATOM 2133 CA SER A 141 14.472 -20.980 -11.626 1.00 0.00 C ATOM 2134 C SER A 141 14.458 -19.906 -12.709 1.00 0.00 C ATOM 2135 O SER A 141 13.860 -20.088 -13.770 1.00 0.00 O ATOM 2136 CB SER A 141 15.914 -21.338 -11.264 1.00 0.00 C ATOM 2137 OG SER A 141 16.286 -20.764 -10.022 1.00 0.00 O ATOM 0 H SER A 141 14.341 -22.891 -12.480 1.00 0.00 H new ATOM 0 HA SER A 141 13.970 -20.585 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 141 16.021 -22.422 -11.214 1.00 0.00 H new ATOM 0 HB3 SER A 141 16.587 -20.987 -12.047 1.00 0.00 H new ATOM 0 HG SER A 141 17.211 -21.009 -9.812 1.00 0.00 H new ATOM 2143 N ALA A 142 15.122 -18.788 -12.434 1.00 0.00 N ATOM 2144 CA ALA A 142 15.187 -17.684 -13.384 1.00 0.00 C ATOM 2145 C ALA A 142 16.421 -17.797 -14.273 1.00 0.00 C ATOM 2146 O ALA A 142 17.283 -16.917 -14.273 1.00 0.00 O ATOM 2147 CB ALA A 142 15.183 -16.353 -12.646 1.00 0.00 C ATOM 0 H ALA A 142 15.623 -18.623 -11.561 1.00 0.00 H new ATOM 0 HA ALA A 142 14.306 -17.734 -14.024 1.00 0.00 H new ATOM 0 HB1 ALA A 142 15.232 -15.537 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 142 14.268 -16.265 -12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 142 16.046 -16.303 -11.982 1.00 0.00 H new ATOM 2153 N GLU A 143 16.500 -18.887 -15.030 1.00 0.00 N ATOM 2154 CA GLU A 143 17.629 -19.116 -15.926 1.00 0.00 C ATOM 2155 C GLU A 143 17.278 -20.156 -16.987 1.00 0.00 C ATOM 2156 O GLU A 143 17.050 -21.325 -16.614 1.00 0.00 O ATOM 2157 CB GLU A 143 18.852 -19.575 -15.130 1.00 0.00 C ATOM 2158 CG GLU A 143 20.169 -19.342 -15.854 1.00 0.00 C ATOM 2159 CD GLU A 143 20.838 -18.045 -15.443 1.00 0.00 C ATOM 2160 OE1 GLU A 143 21.571 -18.050 -14.431 1.00 0.00 O ATOM 2161 OE2 GLU A 143 20.628 -17.024 -16.131 1.00 0.00 O ATOM 2162 OXT GLU A 143 17.236 -19.789 -18.180 1.00 0.00 O ATOM 0 H GLU A 143 15.796 -19.625 -15.041 1.00 0.00 H new ATOM 0 HA GLU A 143 17.862 -18.176 -16.427 1.00 0.00 H new ATOM 0 HB2 GLU A 143 18.873 -19.049 -14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.752 -20.637 -14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.843 -20.174 -15.652 1.00 0.00 H new ATOM 0 HG3 GLU A 143 19.991 -19.330 -16.929 1.00 0.00 H new TER 2169 GLU A 143