USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1094 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 33 GLN : amide:sc= -2.51! C(o=-3.7!,f=-3.3!) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.16 K(o=-3.7,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.0271 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 154:sc= -1.51 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.513 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0123 (180deg=-0.181) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 142:sc= 0.0464 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 61:sc= 0.357 USER MOD Single : A 31 THR OG1 : rot -126:sc= 0.305 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.293 USER MOD Single : A 40 THR OG1 : rot -59:sc= -0.31 USER MOD Single : A 41 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.52) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -9.98! C(o=-10!,f=-13!) USER MOD Single : A 56 MET CE :methyl 141:sc=-0.00452 (180deg=-0.865) USER MOD Single : A 60 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -26:sc= 0.32 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -12.5! C(o=-12!,f=-9.1!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0.0797 (180deg=0.0726) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -10:sc= 0.193 USER MOD Single : A 87 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-2.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.006 USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= 0.0201 (180deg=0.000152) USER MOD Single : A 99 ASN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 102 THR OG1 : rot 106:sc= 0.29 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 106 MET CE :methyl -140:sc= -5.26! (180deg=-7.13!) USER MOD Single : A 119 THR OG1 : rot 87:sc= 0.83 USER MOD Single : A 121 GLN : amide:sc= -0.741 K(o=-0.74,f=-1.4) USER MOD Single : A 124 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.8!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 43:sc= 1.29 USER MOD Single : A 132 LYS NZ :NH3+ 172:sc= -0.614 (180deg=-0.745) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 93:sc= 0.146 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.57 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.795 -15.922 2.235 1.00 0.00 N ATOM 2 CA GLY A 1 20.704 -15.695 3.344 1.00 0.00 C ATOM 3 C GLY A 1 20.575 -14.301 3.924 1.00 0.00 C ATOM 4 O GLY A 1 20.503 -13.318 3.186 1.00 0.00 O ATOM 0 H1 GLY A 1 19.922 -16.889 1.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.814 -15.800 2.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.996 -15.240 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.509 -16.430 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.729 -15.852 3.007 1.00 0.00 H new ATOM 8 N SER A 2 20.543 -14.214 5.250 1.00 0.00 N ATOM 9 CA SER A 2 20.416 -12.929 5.928 1.00 0.00 C ATOM 10 C SER A 2 21.779 -12.416 6.380 1.00 0.00 C ATOM 11 O SER A 2 22.258 -12.762 7.461 1.00 0.00 O ATOM 12 CB SER A 2 19.481 -13.056 7.133 1.00 0.00 C ATOM 13 OG SER A 2 18.161 -13.372 6.723 1.00 0.00 O ATOM 0 H SER A 2 20.603 -15.017 5.876 1.00 0.00 H new ATOM 0 HA SER A 2 19.994 -12.213 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.852 -13.830 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.477 -12.122 7.694 1.00 0.00 H new ATOM 0 HG SER A 2 17.583 -13.449 7.511 1.00 0.00 H new ATOM 19 N SER A 3 22.400 -11.589 5.545 1.00 0.00 N ATOM 20 CA SER A 3 23.711 -11.030 5.856 1.00 0.00 C ATOM 21 C SER A 3 23.819 -9.591 5.361 1.00 0.00 C ATOM 22 O SER A 3 23.457 -9.284 4.226 1.00 0.00 O ATOM 23 CB SER A 3 24.814 -11.882 5.226 1.00 0.00 C ATOM 24 OG SER A 3 24.672 -13.246 5.583 1.00 0.00 O ATOM 0 H SER A 3 22.017 -11.291 4.648 1.00 0.00 H new ATOM 0 HA SER A 3 23.833 -11.033 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.781 -11.781 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.789 -11.518 5.550 1.00 0.00 H new ATOM 0 HG SER A 3 25.388 -13.769 5.166 1.00 0.00 H new ATOM 30 N GLY A 4 24.320 -8.712 6.223 1.00 0.00 N ATOM 31 CA GLY A 4 24.468 -7.315 5.857 1.00 0.00 C ATOM 32 C GLY A 4 24.805 -6.436 7.045 1.00 0.00 C ATOM 33 O GLY A 4 24.036 -6.356 8.003 1.00 0.00 O ATOM 0 H GLY A 4 24.626 -8.942 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.252 -7.221 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.544 -6.963 5.399 1.00 0.00 H new ATOM 37 N SER A 5 25.957 -5.777 6.984 1.00 0.00 N ATOM 38 CA SER A 5 26.397 -4.904 8.066 1.00 0.00 C ATOM 39 C SER A 5 26.503 -3.459 7.589 1.00 0.00 C ATOM 40 O SER A 5 27.459 -2.755 7.912 1.00 0.00 O ATOM 41 CB SER A 5 27.747 -5.373 8.611 1.00 0.00 C ATOM 42 OG SER A 5 27.984 -4.850 9.906 1.00 0.00 O ATOM 0 H SER A 5 26.603 -5.831 6.197 1.00 0.00 H new ATOM 0 HA SER A 5 25.655 -4.952 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.770 -6.462 8.646 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.544 -5.058 7.937 1.00 0.00 H new ATOM 0 HG SER A 5 27.942 -3.871 9.876 1.00 0.00 H new ATOM 48 N SER A 6 25.512 -3.023 6.817 1.00 0.00 N ATOM 49 CA SER A 6 25.494 -1.663 6.291 1.00 0.00 C ATOM 50 C SER A 6 24.088 -1.271 5.847 1.00 0.00 C ATOM 51 O SER A 6 23.384 -2.055 5.212 1.00 0.00 O ATOM 52 CB SER A 6 26.466 -1.535 5.117 1.00 0.00 C ATOM 53 OG SER A 6 26.917 -0.199 4.972 1.00 0.00 O ATOM 0 H SER A 6 24.711 -3.592 6.542 1.00 0.00 H new ATOM 0 HA SER A 6 25.806 -0.987 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.319 -2.195 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.977 -1.859 4.198 1.00 0.00 H new ATOM 0 HG SER A 6 27.538 -0.144 4.216 1.00 0.00 H new ATOM 59 N GLY A 7 23.685 -0.050 6.187 1.00 0.00 N ATOM 60 CA GLY A 7 22.366 0.426 5.816 1.00 0.00 C ATOM 61 C GLY A 7 21.273 -0.565 6.163 1.00 0.00 C ATOM 62 O GLY A 7 21.539 -1.608 6.763 1.00 0.00 O ATOM 0 H GLY A 7 24.249 0.618 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.169 1.371 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.344 0.627 4.745 1.00 0.00 H new ATOM 66 N ILE A 8 20.040 -0.241 5.787 1.00 0.00 N ATOM 67 CA ILE A 8 18.904 -1.110 6.063 1.00 0.00 C ATOM 68 C ILE A 8 18.389 -1.764 4.785 1.00 0.00 C ATOM 69 O ILE A 8 18.267 -1.128 3.739 1.00 0.00 O ATOM 70 CB ILE A 8 17.752 -0.337 6.731 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.885 -0.393 8.254 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.409 -0.901 6.290 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.562 -0.296 8.981 1.00 0.00 C ATOM 0 H ILE A 8 19.803 0.618 5.290 1.00 0.00 H new ATOM 0 HA ILE A 8 19.257 -1.882 6.747 1.00 0.00 H new ATOM 0 HB ILE A 8 17.806 0.706 6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.376 -1.325 8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.532 0.420 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.605 -0.344 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.315 -0.813 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.344 -1.951 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.734 -0.342 10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.078 0.648 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.920 -1.124 8.680 1.00 0.00 H new ATOM 85 N PRO A 9 18.077 -3.066 4.871 1.00 0.00 N ATOM 86 CA PRO A 9 17.568 -3.834 3.731 1.00 0.00 C ATOM 87 C PRO A 9 16.078 -3.608 3.499 1.00 0.00 C ATOM 88 O PRO A 9 15.325 -3.341 4.437 1.00 0.00 O ATOM 89 CB PRO A 9 17.831 -5.287 4.137 1.00 0.00 C ATOM 90 CG PRO A 9 17.807 -5.275 5.627 1.00 0.00 C ATOM 91 CD PRO A 9 18.198 -3.888 6.087 1.00 0.00 C ATOM 0 HA PRO A 9 18.049 -3.544 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.069 -5.955 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.792 -5.636 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.814 -5.533 5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.498 -6.018 6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.541 -3.529 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.213 -3.869 6.483 1.00 0.00 H new ATOM 99 N THR A 10 15.656 -3.716 2.243 1.00 0.00 N ATOM 100 CA THR A 10 14.256 -3.522 1.887 1.00 0.00 C ATOM 101 C THR A 10 13.817 -4.518 0.820 1.00 0.00 C ATOM 102 O THR A 10 14.623 -5.307 0.324 1.00 0.00 O ATOM 103 CB THR A 10 13.999 -2.092 1.375 1.00 0.00 C ATOM 104 OG1 THR A 10 14.802 -1.835 0.218 1.00 0.00 O ATOM 105 CG2 THR A 10 14.312 -1.067 2.454 1.00 0.00 C ATOM 0 H THR A 10 16.265 -3.937 1.455 1.00 0.00 H new ATOM 0 HA THR A 10 13.674 -3.685 2.794 1.00 0.00 H new ATOM 0 HB THR A 10 12.945 -2.008 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.632 -0.925 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.123 -0.065 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.679 -1.248 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.359 -1.153 2.745 1.00 0.00 H new ATOM 113 N CYS A 11 12.536 -4.477 0.471 1.00 0.00 N ATOM 114 CA CYS A 11 11.990 -5.378 -0.538 1.00 0.00 C ATOM 115 C CYS A 11 10.786 -4.749 -1.233 1.00 0.00 C ATOM 116 O CYS A 11 10.291 -3.702 -0.815 1.00 0.00 O ATOM 117 CB CYS A 11 11.588 -6.709 0.099 1.00 0.00 C ATOM 118 SG CYS A 11 12.910 -7.942 0.129 1.00 0.00 S ATOM 0 H CYS A 11 11.856 -3.830 0.871 1.00 0.00 H new ATOM 0 HA CYS A 11 12.764 -5.560 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.254 -6.525 1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.737 -7.118 -0.446 1.00 0.00 H new ATOM 0 HG CYS A 11 12.710 -8.768 1.113 1.00 0.00 H new ATOM 124 N LYS A 12 10.320 -5.394 -2.297 1.00 0.00 N ATOM 125 CA LYS A 12 9.175 -4.899 -3.052 1.00 0.00 C ATOM 126 C LYS A 12 7.890 -5.589 -2.605 1.00 0.00 C ATOM 127 O LYS A 12 7.859 -6.807 -2.425 1.00 0.00 O ATOM 128 CB LYS A 12 9.391 -5.121 -4.551 1.00 0.00 C ATOM 129 CG LYS A 12 8.125 -4.974 -5.376 1.00 0.00 C ATOM 130 CD LYS A 12 8.431 -4.925 -6.864 1.00 0.00 C ATOM 131 CE LYS A 12 8.289 -6.295 -7.508 1.00 0.00 C ATOM 132 NZ LYS A 12 8.189 -6.203 -8.991 1.00 0.00 N ATOM 0 H LYS A 12 10.718 -6.262 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 12 9.079 -3.830 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.134 -4.410 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.802 -6.118 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.456 -5.809 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.601 -4.065 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.757 -4.221 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.444 -4.554 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.146 -6.913 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.402 -6.791 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.093 -7.158 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.357 -5.634 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.047 -5.753 -9.369 1.00 0.00 H new ATOM 146 N ILE A 13 6.832 -4.805 -2.431 1.00 0.00 N ATOM 147 CA ILE A 13 5.545 -5.342 -2.008 1.00 0.00 C ATOM 148 C ILE A 13 4.472 -5.091 -3.062 1.00 0.00 C ATOM 149 O ILE A 13 3.814 -4.050 -3.060 1.00 0.00 O ATOM 150 CB ILE A 13 5.089 -4.726 -0.672 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.068 -5.096 0.445 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.683 -5.191 -0.327 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.132 -6.581 0.725 1.00 0.00 C ATOM 0 H ILE A 13 6.841 -3.795 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 13 5.679 -6.416 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 13 5.076 -3.641 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.063 -4.742 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.779 -4.575 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.375 -4.747 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.994 -4.882 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.670 -6.277 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.845 -6.770 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.146 -6.938 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.450 -7.108 -0.175 1.00 0.00 H new ATOM 165 N THR A 14 4.298 -6.054 -3.963 1.00 0.00 N ATOM 166 CA THR A 14 3.304 -5.938 -5.023 1.00 0.00 C ATOM 167 C THR A 14 2.085 -6.805 -4.730 1.00 0.00 C ATOM 168 O THR A 14 2.188 -8.028 -4.633 1.00 0.00 O ATOM 169 CB THR A 14 3.891 -6.342 -6.389 1.00 0.00 C ATOM 170 OG1 THR A 14 5.294 -6.058 -6.423 1.00 0.00 O ATOM 171 CG2 THR A 14 3.190 -5.603 -7.518 1.00 0.00 C ATOM 0 H THR A 14 4.833 -6.922 -3.979 1.00 0.00 H new ATOM 0 HA THR A 14 3.002 -4.891 -5.061 1.00 0.00 H new ATOM 0 HB THR A 14 3.735 -7.412 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.534 -5.700 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.621 -5.904 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.127 -5.846 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.318 -4.529 -7.385 1.00 0.00 H new ATOM 179 N LEU A 15 0.930 -6.164 -4.589 1.00 0.00 N ATOM 180 CA LEU A 15 -0.312 -6.876 -4.308 1.00 0.00 C ATOM 181 C LEU A 15 -1.386 -6.524 -5.332 1.00 0.00 C ATOM 182 O LEU A 15 -1.730 -5.355 -5.510 1.00 0.00 O ATOM 183 CB LEU A 15 -0.805 -6.544 -2.899 1.00 0.00 C ATOM 184 CG LEU A 15 0.242 -6.618 -1.786 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.105 -5.653 -0.663 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.357 -8.039 -1.255 1.00 0.00 C ATOM 0 H LEU A 15 0.828 -5.152 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.112 -7.945 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.224 -5.538 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.619 -7.225 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 15 1.207 -6.328 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.650 -5.719 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.135 -4.636 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.080 -5.911 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.106 -8.072 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.606 -8.357 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.653 -8.707 -2.064 1.00 0.00 H new ATOM 198 N LYS A 16 -1.915 -7.542 -6.001 1.00 0.00 N ATOM 199 CA LYS A 16 -2.953 -7.342 -7.005 1.00 0.00 C ATOM 200 C LYS A 16 -4.269 -7.973 -6.560 1.00 0.00 C ATOM 201 O LYS A 16 -4.438 -9.190 -6.632 1.00 0.00 O ATOM 202 CB LYS A 16 -2.517 -7.937 -8.346 1.00 0.00 C ATOM 203 CG LYS A 16 -1.492 -7.092 -9.082 1.00 0.00 C ATOM 204 CD LYS A 16 -0.084 -7.355 -8.574 1.00 0.00 C ATOM 205 CE LYS A 16 0.500 -8.620 -9.184 1.00 0.00 C ATOM 206 NZ LYS A 16 0.831 -8.440 -10.624 1.00 0.00 N ATOM 0 H LYS A 16 -1.642 -8.515 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.106 -6.269 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.102 -8.930 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.394 -8.063 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.541 -7.307 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.733 -6.036 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.555 -6.505 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.099 -7.446 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.399 -8.905 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.212 -9.438 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.476 -9.197 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.042 -8.480 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.290 -7.517 -10.762 1.00 0.00 H new ATOM 220 N GLU A 17 -5.196 -7.138 -6.103 1.00 0.00 N ATOM 221 CA GLU A 17 -6.497 -7.616 -5.648 1.00 0.00 C ATOM 222 C GLU A 17 -7.624 -6.970 -6.448 1.00 0.00 C ATOM 223 O GLU A 17 -7.557 -5.792 -6.798 1.00 0.00 O ATOM 224 CB GLU A 17 -6.680 -7.321 -4.158 1.00 0.00 C ATOM 225 CG GLU A 17 -7.569 -8.326 -3.444 1.00 0.00 C ATOM 226 CD GLU A 17 -6.851 -9.625 -3.136 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.305 -10.238 -4.078 1.00 0.00 O ATOM 228 OE2 GLU A 17 -6.836 -10.031 -1.956 1.00 0.00 O ATOM 0 H GLU A 17 -5.071 -6.128 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.535 -8.694 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.702 -7.306 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.107 -6.325 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.933 -7.887 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.442 -8.536 -4.061 1.00 0.00 H new ATOM 235 N THR A 18 -8.661 -7.752 -6.735 1.00 0.00 N ATOM 236 CA THR A 18 -9.803 -7.258 -7.494 1.00 0.00 C ATOM 237 C THR A 18 -10.911 -6.771 -6.568 1.00 0.00 C ATOM 238 O THR A 18 -11.110 -7.316 -5.482 1.00 0.00 O ATOM 239 CB THR A 18 -10.370 -8.346 -8.426 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.300 -9.099 -9.008 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.218 -7.727 -9.527 1.00 0.00 C ATOM 0 H THR A 18 -8.733 -8.730 -6.453 1.00 0.00 H new ATOM 0 HA THR A 18 -9.445 -6.423 -8.096 1.00 0.00 H new ATOM 0 HB THR A 18 -11.000 -9.009 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.669 -9.789 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.607 -8.514 -10.172 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.048 -7.179 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.607 -7.044 -10.117 1.00 0.00 H new ATOM 249 N PHE A 19 -11.629 -5.741 -7.003 1.00 0.00 N ATOM 250 CA PHE A 19 -12.718 -5.180 -6.211 1.00 0.00 C ATOM 251 C PHE A 19 -14.036 -5.243 -6.978 1.00 0.00 C ATOM 252 O PHE A 19 -14.083 -4.970 -8.178 1.00 0.00 O ATOM 253 CB PHE A 19 -12.405 -3.732 -5.830 1.00 0.00 C ATOM 254 CG PHE A 19 -11.350 -3.606 -4.768 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.007 -3.584 -5.107 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.702 -3.509 -3.431 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.034 -3.469 -4.132 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.734 -3.393 -2.452 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.398 -3.373 -2.803 1.00 0.00 C ATOM 0 H PHE A 19 -11.477 -5.278 -7.899 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.818 -5.774 -5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.080 -3.193 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.319 -3.251 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.717 -3.658 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.745 -3.524 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.990 -3.454 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.021 -3.318 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.639 -3.282 -2.040 1.00 0.00 H new ATOM 269 N LEU A 20 -15.104 -5.604 -6.276 1.00 0.00 N ATOM 270 CA LEU A 20 -16.424 -5.704 -6.889 1.00 0.00 C ATOM 271 C LEU A 20 -17.078 -4.330 -7.002 1.00 0.00 C ATOM 272 O LEU A 20 -18.281 -4.182 -6.785 1.00 0.00 O ATOM 273 CB LEU A 20 -17.318 -6.641 -6.074 1.00 0.00 C ATOM 274 CG LEU A 20 -16.978 -8.129 -6.154 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.312 -8.680 -7.532 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.510 -8.360 -5.826 1.00 0.00 C ATOM 0 H LEU A 20 -15.082 -5.832 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.301 -6.111 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.275 -6.334 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.348 -6.506 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.581 -8.660 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.063 -9.741 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.376 -8.550 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.736 -8.145 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.287 -9.425 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.888 -7.817 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.302 -8.004 -4.817 1.00 0.00 H new ATOM 288 N THR A 21 -16.277 -3.326 -7.344 1.00 0.00 N ATOM 289 CA THR A 21 -16.776 -1.964 -7.487 1.00 0.00 C ATOM 290 C THR A 21 -16.064 -1.233 -8.619 1.00 0.00 C ATOM 291 O THR A 21 -15.044 -1.699 -9.127 1.00 0.00 O ATOM 292 CB THR A 21 -16.602 -1.162 -6.183 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.452 -0.010 -6.199 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.155 -0.728 -6.004 1.00 0.00 C ATOM 0 H THR A 21 -15.279 -3.431 -7.527 1.00 0.00 H new ATOM 0 HA THR A 21 -17.838 -2.040 -7.719 1.00 0.00 H new ATOM 0 HB THR A 21 -16.878 -1.805 -5.347 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.815 0.141 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.057 -0.163 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.514 -1.608 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.857 -0.101 -6.844 1.00 0.00 H new ATOM 302 N SER A 22 -16.607 -0.084 -9.009 1.00 0.00 N ATOM 303 CA SER A 22 -16.025 0.710 -10.084 1.00 0.00 C ATOM 304 C SER A 22 -14.847 1.536 -9.573 1.00 0.00 C ATOM 305 O SER A 22 -14.790 1.926 -8.407 1.00 0.00 O ATOM 306 CB SER A 22 -17.081 1.632 -10.696 1.00 0.00 C ATOM 307 OG SER A 22 -17.822 0.963 -11.702 1.00 0.00 O ATOM 0 H SER A 22 -17.449 0.317 -8.596 1.00 0.00 H new ATOM 0 HA SER A 22 -15.662 0.026 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.756 1.984 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.598 2.512 -11.121 1.00 0.00 H new ATOM 0 HG SER A 22 -18.491 1.573 -12.076 1.00 0.00 H new ATOM 313 N PRO A 23 -13.885 1.809 -10.467 1.00 0.00 N ATOM 314 CA PRO A 23 -12.692 2.590 -10.131 1.00 0.00 C ATOM 315 C PRO A 23 -13.031 3.874 -9.382 1.00 0.00 C ATOM 316 O PRO A 23 -12.636 4.055 -8.231 1.00 0.00 O ATOM 317 CB PRO A 23 -12.083 2.914 -11.498 1.00 0.00 C ATOM 318 CG PRO A 23 -12.554 1.818 -12.391 1.00 0.00 C ATOM 319 CD PRO A 23 -13.889 1.375 -11.874 1.00 0.00 C ATOM 0 HA PRO A 23 -12.021 2.043 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.414 3.888 -11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.995 2.945 -11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.636 2.167 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.846 0.989 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.706 1.834 -12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.012 0.295 -11.959 1.00 0.00 H new ATOM 327 N GLU A 24 -13.767 4.763 -10.043 1.00 0.00 N ATOM 328 CA GLU A 24 -14.159 6.030 -9.438 1.00 0.00 C ATOM 329 C GLU A 24 -14.521 5.842 -7.968 1.00 0.00 C ATOM 330 O GLU A 24 -14.158 6.657 -7.120 1.00 0.00 O ATOM 331 CB GLU A 24 -15.344 6.636 -10.193 1.00 0.00 C ATOM 332 CG GLU A 24 -16.687 6.054 -9.787 1.00 0.00 C ATOM 333 CD GLU A 24 -17.846 6.683 -10.535 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.933 6.491 -11.766 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.667 7.367 -9.889 1.00 0.00 O ATOM 0 H GLU A 24 -14.103 4.629 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.310 6.711 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.359 7.713 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.199 6.482 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.683 4.979 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.831 6.196 -8.716 1.00 0.00 H new ATOM 342 N GLU A 25 -15.240 4.763 -7.675 1.00 0.00 N ATOM 343 CA GLU A 25 -15.653 4.469 -6.307 1.00 0.00 C ATOM 344 C GLU A 25 -14.440 4.244 -5.409 1.00 0.00 C ATOM 345 O GLU A 25 -14.167 5.035 -4.505 1.00 0.00 O ATOM 346 CB GLU A 25 -16.558 3.236 -6.278 1.00 0.00 C ATOM 347 CG GLU A 25 -17.584 3.260 -5.158 1.00 0.00 C ATOM 348 CD GLU A 25 -18.865 3.967 -5.555 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.807 5.180 -5.846 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.925 3.308 -5.575 1.00 0.00 O ATOM 0 H GLU A 25 -15.548 4.079 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.208 5.328 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.077 3.154 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.940 2.344 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.815 2.237 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.155 3.756 -4.288 1.00 0.00 H new ATOM 357 N LEU A 26 -13.715 3.161 -5.665 1.00 0.00 N ATOM 358 CA LEU A 26 -12.530 2.830 -4.880 1.00 0.00 C ATOM 359 C LEU A 26 -11.532 3.983 -4.888 1.00 0.00 C ATOM 360 O LEU A 26 -10.686 4.091 -4.000 1.00 0.00 O ATOM 361 CB LEU A 26 -11.869 1.564 -5.428 1.00 0.00 C ATOM 362 CG LEU A 26 -10.855 0.884 -4.507 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.557 0.246 -3.318 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.050 -0.155 -5.274 1.00 0.00 C ATOM 0 H LEU A 26 -13.926 2.497 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.843 2.653 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.652 0.844 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.369 1.815 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.168 1.643 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.819 -0.233 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.087 1.013 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.268 -0.500 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.334 -0.628 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.723 -0.911 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.516 0.329 -6.091 1.00 0.00 H new ATOM 376 N TYR A 27 -11.639 4.844 -5.894 1.00 0.00 N ATOM 377 CA TYR A 27 -10.745 5.989 -6.018 1.00 0.00 C ATOM 378 C TYR A 27 -10.934 6.955 -4.852 1.00 0.00 C ATOM 379 O TYR A 27 -10.096 7.825 -4.610 1.00 0.00 O ATOM 380 CB TYR A 27 -10.993 6.715 -7.341 1.00 0.00 C ATOM 381 CG TYR A 27 -10.022 7.844 -7.603 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.662 7.686 -7.368 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.465 9.070 -8.086 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.771 8.715 -7.605 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.581 10.104 -8.328 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.235 9.921 -8.085 1.00 0.00 C ATOM 387 OH TYR A 27 -7.352 10.949 -8.324 1.00 0.00 O ATOM 0 H TYR A 27 -12.336 4.771 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.719 5.621 -6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.930 5.996 -8.158 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.008 7.112 -7.343 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.295 6.742 -6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.518 9.217 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.717 8.575 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.941 11.050 -8.705 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.699 10.669 -8.999 1.00 0.00 H new ATOM 397 N ARG A 28 -12.039 6.795 -4.132 1.00 0.00 N ATOM 398 CA ARG A 28 -12.339 7.653 -2.992 1.00 0.00 C ATOM 399 C ARG A 28 -11.919 6.986 -1.685 1.00 0.00 C ATOM 400 O ARG A 28 -11.267 7.604 -0.843 1.00 0.00 O ATOM 401 CB ARG A 28 -13.833 7.980 -2.952 1.00 0.00 C ATOM 402 CG ARG A 28 -14.460 8.136 -4.328 1.00 0.00 C ATOM 403 CD ARG A 28 -15.922 7.720 -4.324 1.00 0.00 C ATOM 404 NE ARG A 28 -16.802 8.816 -3.927 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.017 8.636 -3.421 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.494 7.411 -3.251 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.758 9.684 -3.082 1.00 0.00 N ATOM 0 H ARG A 28 -12.742 6.079 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.774 8.578 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.355 7.190 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.980 8.902 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.377 9.174 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.911 7.532 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.202 7.372 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.058 6.881 -3.642 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.465 9.772 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.928 6.603 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.427 7.277 -2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.395 10.628 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.691 9.545 -2.694 1.00 0.00 H new ATOM 421 N VAL A 29 -12.296 5.722 -1.523 1.00 0.00 N ATOM 422 CA VAL A 29 -11.958 4.971 -0.320 1.00 0.00 C ATOM 423 C VAL A 29 -10.482 5.128 0.029 1.00 0.00 C ATOM 424 O VAL A 29 -10.074 4.893 1.166 1.00 0.00 O ATOM 425 CB VAL A 29 -12.278 3.473 -0.484 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.981 2.719 0.803 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.729 3.282 -0.901 1.00 0.00 C ATOM 0 H VAL A 29 -12.836 5.196 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.566 5.378 0.488 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.641 3.067 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.213 1.663 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.926 2.829 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.591 3.124 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.939 2.218 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.385 3.703 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.904 3.788 -1.851 1.00 0.00 H new ATOM 437 N PHE A 30 -9.686 5.528 -0.957 1.00 0.00 N ATOM 438 CA PHE A 30 -8.254 5.717 -0.755 1.00 0.00 C ATOM 439 C PHE A 30 -7.900 7.201 -0.722 1.00 0.00 C ATOM 440 O PHE A 30 -6.860 7.592 -0.192 1.00 0.00 O ATOM 441 CB PHE A 30 -7.464 5.017 -1.863 1.00 0.00 C ATOM 442 CG PHE A 30 -7.350 3.532 -1.671 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.462 2.716 -1.804 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.131 2.952 -1.358 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.360 1.349 -1.628 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.024 1.586 -1.182 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.140 0.783 -1.316 1.00 0.00 C ATOM 0 H PHE A 30 -10.008 5.728 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.987 5.277 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.944 5.216 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.464 5.447 -1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.419 3.153 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.255 3.575 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.234 0.724 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.068 1.146 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.058 -0.285 -1.177 1.00 0.00 H new ATOM 457 N THR A 31 -8.774 8.025 -1.293 1.00 0.00 N ATOM 458 CA THR A 31 -8.555 9.465 -1.331 1.00 0.00 C ATOM 459 C THR A 31 -9.598 10.202 -0.499 1.00 0.00 C ATOM 460 O THR A 31 -9.833 11.395 -0.694 1.00 0.00 O ATOM 461 CB THR A 31 -8.594 10.001 -2.775 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.920 9.886 -3.304 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.621 9.239 -3.661 1.00 0.00 C ATOM 0 H THR A 31 -9.640 7.719 -1.736 1.00 0.00 H new ATOM 0 HA THR A 31 -7.566 9.646 -0.911 1.00 0.00 H new ATOM 0 HB THR A 31 -8.300 11.050 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.892 9.398 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.666 9.635 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.609 9.352 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.889 8.183 -3.672 1.00 0.00 H new ATOM 471 N THR A 32 -10.222 9.485 0.430 1.00 0.00 N ATOM 472 CA THR A 32 -11.241 10.072 1.292 1.00 0.00 C ATOM 473 C THR A 32 -11.055 9.633 2.740 1.00 0.00 C ATOM 474 O THR A 32 -11.364 8.498 3.098 1.00 0.00 O ATOM 475 CB THR A 32 -12.658 9.686 0.829 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.795 9.918 -0.577 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.711 10.483 1.584 1.00 0.00 C ATOM 0 H THR A 32 -10.040 8.497 0.605 1.00 0.00 H new ATOM 0 HA THR A 32 -11.127 11.154 1.225 1.00 0.00 H new ATOM 0 HB THR A 32 -12.808 8.627 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.610 10.435 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.703 10.193 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.624 10.281 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.561 11.547 1.403 1.00 0.00 H new ATOM 485 N GLN A 33 -10.548 10.542 3.567 1.00 0.00 N ATOM 486 CA GLN A 33 -10.321 10.247 4.977 1.00 0.00 C ATOM 487 C GLN A 33 -11.495 9.473 5.568 1.00 0.00 C ATOM 488 O GLN A 33 -11.344 8.330 5.995 1.00 0.00 O ATOM 489 CB GLN A 33 -10.103 11.542 5.762 1.00 0.00 C ATOM 490 CG GLN A 33 -10.003 11.334 7.264 1.00 0.00 C ATOM 491 CD GLN A 33 -9.630 12.603 8.006 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.370 13.639 7.394 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.601 12.527 9.331 1.00 0.00 N ATOM 0 H GLN A 33 -10.287 11.487 3.286 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.427 9.629 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.190 12.022 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.925 12.227 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.957 10.965 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.259 10.564 7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.824 11.647 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.356 13.348 9.884 1.00 0.00 H new ATOM 502 N GLU A 34 -12.664 10.106 5.588 1.00 0.00 N ATOM 503 CA GLU A 34 -13.864 9.476 6.128 1.00 0.00 C ATOM 504 C GLU A 34 -13.934 8.006 5.725 1.00 0.00 C ATOM 505 O GLU A 34 -13.869 7.114 6.572 1.00 0.00 O ATOM 506 CB GLU A 34 -15.115 10.210 5.641 1.00 0.00 C ATOM 507 CG GLU A 34 -16.413 9.508 6.006 1.00 0.00 C ATOM 508 CD GLU A 34 -17.634 10.365 5.739 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.101 10.388 4.581 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.124 11.013 6.687 1.00 0.00 O ATOM 0 H GLU A 34 -12.806 11.053 5.237 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.817 9.535 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.124 11.215 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.063 10.320 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.493 8.581 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.389 9.234 7.061 1.00 0.00 H new ATOM 517 N LEU A 35 -14.068 7.760 4.426 1.00 0.00 N ATOM 518 CA LEU A 35 -14.148 6.398 3.909 1.00 0.00 C ATOM 519 C LEU A 35 -13.093 5.507 4.556 1.00 0.00 C ATOM 520 O LEU A 35 -13.355 4.347 4.872 1.00 0.00 O ATOM 521 CB LEU A 35 -13.970 6.398 2.389 1.00 0.00 C ATOM 522 CG LEU A 35 -14.940 7.277 1.600 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.767 7.054 0.105 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.376 6.999 2.020 1.00 0.00 C ATOM 0 H LEU A 35 -14.124 8.486 3.712 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.133 6.000 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.953 6.719 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.067 5.373 2.032 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.715 8.321 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.466 7.688 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.747 7.305 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.964 6.009 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.052 7.634 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.614 5.952 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.492 7.211 3.083 1.00 0.00 H new ATOM 536 N VAL A 36 -11.900 6.059 4.753 1.00 0.00 N ATOM 537 CA VAL A 36 -10.806 5.315 5.366 1.00 0.00 C ATOM 538 C VAL A 36 -11.139 4.933 6.804 1.00 0.00 C ATOM 539 O VAL A 36 -10.979 3.780 7.202 1.00 0.00 O ATOM 540 CB VAL A 36 -9.497 6.128 5.352 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.317 5.248 5.735 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.279 6.762 3.987 1.00 0.00 C ATOM 0 H VAL A 36 -11.667 7.018 4.497 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.669 4.409 4.775 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.578 6.926 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.402 5.840 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.473 4.846 6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.230 4.426 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.350 7.332 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.219 5.981 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.111 7.427 3.758 1.00 0.00 H new ATOM 552 N GLN A 37 -11.603 5.910 7.577 1.00 0.00 N ATOM 553 CA GLN A 37 -11.958 5.675 8.972 1.00 0.00 C ATOM 554 C GLN A 37 -13.127 4.702 9.079 1.00 0.00 C ATOM 555 O GLN A 37 -13.531 4.321 10.177 1.00 0.00 O ATOM 556 CB GLN A 37 -12.313 6.995 9.658 1.00 0.00 C ATOM 557 CG GLN A 37 -11.131 7.664 10.340 1.00 0.00 C ATOM 558 CD GLN A 37 -11.467 9.043 10.872 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.649 9.230 12.075 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.551 10.019 9.976 1.00 0.00 N ATOM 0 H GLN A 37 -11.742 6.870 7.262 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.095 5.234 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.729 7.679 8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.093 6.812 10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.788 7.036 11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.306 7.743 9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.393 9.820 8.988 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.774 10.968 10.275 1.00 0.00 H new ATOM 569 N ALA A 38 -13.666 4.303 7.932 1.00 0.00 N ATOM 570 CA ALA A 38 -14.788 3.373 7.897 1.00 0.00 C ATOM 571 C ALA A 38 -14.302 1.928 7.860 1.00 0.00 C ATOM 572 O ALA A 38 -14.761 1.088 8.634 1.00 0.00 O ATOM 573 CB ALA A 38 -15.678 3.663 6.698 1.00 0.00 C ATOM 0 H ALA A 38 -13.344 4.609 7.014 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.370 3.510 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.511 2.961 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.062 4.681 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.099 3.556 5.781 1.00 0.00 H new ATOM 579 N PHE A 39 -13.370 1.645 6.956 1.00 0.00 N ATOM 580 CA PHE A 39 -12.823 0.301 6.817 1.00 0.00 C ATOM 581 C PHE A 39 -11.644 0.093 7.763 1.00 0.00 C ATOM 582 O PHE A 39 -11.138 -1.021 7.910 1.00 0.00 O ATOM 583 CB PHE A 39 -12.382 0.053 5.373 1.00 0.00 C ATOM 584 CG PHE A 39 -11.087 0.727 5.018 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.885 0.259 5.526 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.071 1.827 4.176 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.693 0.877 5.201 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.881 2.449 3.848 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.691 1.973 4.360 1.00 0.00 C ATOM 0 H PHE A 39 -12.978 2.329 6.309 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.606 -0.411 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.280 -1.020 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.162 0.404 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.880 -0.598 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.999 2.203 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.763 0.504 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.882 3.307 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.760 2.456 4.104 1.00 0.00 H new ATOM 599 N THR A 40 -11.210 1.173 8.405 1.00 0.00 N ATOM 600 CA THR A 40 -10.090 1.111 9.336 1.00 0.00 C ATOM 601 C THR A 40 -10.569 1.216 10.779 1.00 0.00 C ATOM 602 O THR A 40 -9.839 0.879 11.712 1.00 0.00 O ATOM 603 CB THR A 40 -9.070 2.232 9.062 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.692 3.512 9.225 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.500 2.115 7.657 1.00 0.00 C ATOM 0 H THR A 40 -11.617 2.102 8.297 1.00 0.00 H new ATOM 0 HA THR A 40 -9.607 0.146 9.186 1.00 0.00 H new ATOM 0 HB THR A 40 -8.254 2.132 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.447 3.590 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.782 2.918 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.001 1.152 7.546 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.308 2.191 6.929 1.00 0.00 H new ATOM 613 N HIS A 41 -11.800 1.685 10.957 1.00 0.00 N ATOM 614 CA HIS A 41 -12.377 1.833 12.288 1.00 0.00 C ATOM 615 C HIS A 41 -11.337 2.356 13.276 1.00 0.00 C ATOM 616 O HIS A 41 -11.279 1.913 14.422 1.00 0.00 O ATOM 617 CB HIS A 41 -12.934 0.496 12.777 1.00 0.00 C ATOM 618 CG HIS A 41 -13.914 -0.127 11.830 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.258 0.181 11.827 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.737 -1.043 10.850 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.866 -0.521 10.888 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.965 -1.271 10.279 1.00 0.00 N ATOM 0 H HIS A 41 -12.417 1.969 10.196 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.190 2.556 12.226 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.107 -0.196 12.938 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.418 0.645 13.742 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.804 -1.508 10.569 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.921 -0.488 10.657 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.151 -1.915 9.510 1.00 0.00 H new ATOM 631 N ALA A 42 -10.519 3.299 12.822 1.00 0.00 N ATOM 632 CA ALA A 42 -9.483 3.882 13.665 1.00 0.00 C ATOM 633 C ALA A 42 -9.166 5.311 13.236 1.00 0.00 C ATOM 634 O ALA A 42 -9.305 5.680 12.070 1.00 0.00 O ATOM 635 CB ALA A 42 -8.226 3.026 13.626 1.00 0.00 C ATOM 0 H ALA A 42 -10.554 3.676 11.875 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.857 3.912 14.689 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.461 3.474 14.260 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.457 2.024 13.988 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.858 2.966 12.602 1.00 0.00 H new ATOM 641 N PRO A 43 -8.730 6.136 14.200 1.00 0.00 N ATOM 642 CA PRO A 43 -8.384 7.538 13.946 1.00 0.00 C ATOM 643 C PRO A 43 -7.481 7.700 12.727 1.00 0.00 C ATOM 644 O PRO A 43 -6.257 7.629 12.836 1.00 0.00 O ATOM 645 CB PRO A 43 -7.645 7.957 15.219 1.00 0.00 C ATOM 646 CG PRO A 43 -8.173 7.054 16.279 1.00 0.00 C ATOM 647 CD PRO A 43 -8.540 5.764 15.612 1.00 0.00 C ATOM 0 HA PRO A 43 -9.265 8.143 13.730 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.567 7.846 15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.834 9.003 15.460 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.424 6.888 17.053 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.042 7.497 16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.754 5.018 15.726 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.448 5.338 16.039 1.00 0.00 H new ATOM 655 N ALA A 44 -8.093 7.918 11.568 1.00 0.00 N ATOM 656 CA ALA A 44 -7.344 8.093 10.330 1.00 0.00 C ATOM 657 C ALA A 44 -7.519 9.504 9.778 1.00 0.00 C ATOM 658 O ALA A 44 -8.618 10.058 9.796 1.00 0.00 O ATOM 659 CB ALA A 44 -7.781 7.063 9.299 1.00 0.00 C ATOM 0 H ALA A 44 -9.106 7.978 11.460 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.287 7.945 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.214 7.205 8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.599 6.061 9.686 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.844 7.184 9.092 1.00 0.00 H new ATOM 665 N THR A 45 -6.427 10.082 9.287 1.00 0.00 N ATOM 666 CA THR A 45 -6.459 11.429 8.731 1.00 0.00 C ATOM 667 C THR A 45 -5.913 11.449 7.307 1.00 0.00 C ATOM 668 O THR A 45 -4.699 11.458 7.097 1.00 0.00 O ATOM 669 CB THR A 45 -5.646 12.412 9.594 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.195 12.474 10.915 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.644 13.801 8.975 1.00 0.00 C ATOM 0 H THR A 45 -5.509 9.638 9.263 1.00 0.00 H new ATOM 0 HA THR A 45 -7.503 11.743 8.722 1.00 0.00 H new ATOM 0 HB THR A 45 -4.618 12.052 9.645 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.671 13.100 11.458 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.064 14.478 9.602 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.199 13.756 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.668 14.166 8.898 1.00 0.00 H new ATOM 679 N LEU A 46 -6.816 11.457 6.333 1.00 0.00 N ATOM 680 CA LEU A 46 -6.425 11.477 4.928 1.00 0.00 C ATOM 681 C LEU A 46 -6.687 12.847 4.309 1.00 0.00 C ATOM 682 O LEU A 46 -7.706 13.478 4.585 1.00 0.00 O ATOM 683 CB LEU A 46 -7.184 10.401 4.151 1.00 0.00 C ATOM 684 CG LEU A 46 -6.515 9.898 2.871 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.802 8.419 2.665 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.983 10.707 1.671 1.00 0.00 C ATOM 0 H LEU A 46 -7.824 11.450 6.490 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.356 11.271 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.344 9.549 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.167 10.794 3.893 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.437 10.027 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.318 8.079 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.416 7.852 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.878 8.265 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.497 10.335 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.064 10.611 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.725 11.756 1.816 1.00 0.00 H new ATOM 698 N GLU A 47 -5.760 13.299 3.470 1.00 0.00 N ATOM 699 CA GLU A 47 -5.892 14.593 2.812 1.00 0.00 C ATOM 700 C GLU A 47 -5.636 14.470 1.313 1.00 0.00 C ATOM 701 O GLU A 47 -4.490 14.496 0.864 1.00 0.00 O ATOM 702 CB GLU A 47 -4.920 15.604 3.425 1.00 0.00 C ATOM 703 CG GLU A 47 -5.215 15.926 4.881 1.00 0.00 C ATOM 704 CD GLU A 47 -6.267 17.007 5.038 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.459 16.712 4.813 1.00 0.00 O ATOM 706 OE2 GLU A 47 -5.897 18.148 5.386 1.00 0.00 O ATOM 0 H GLU A 47 -4.910 12.788 3.230 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.913 14.945 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.905 15.214 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.953 16.526 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.550 15.022 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.296 16.245 5.372 1.00 0.00 H new ATOM 713 N ALA A 48 -6.711 14.335 0.544 1.00 0.00 N ATOM 714 CA ALA A 48 -6.604 14.209 -0.904 1.00 0.00 C ATOM 715 C ALA A 48 -5.986 15.460 -1.520 1.00 0.00 C ATOM 716 O ALA A 48 -6.686 16.429 -1.814 1.00 0.00 O ATOM 717 CB ALA A 48 -7.971 13.939 -1.513 1.00 0.00 C ATOM 0 H ALA A 48 -7.667 14.310 0.900 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.948 13.366 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.876 13.847 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.375 13.013 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.644 14.763 -1.277 1.00 0.00 H new ATOM 723 N ASP A 49 -4.671 15.432 -1.712 1.00 0.00 N ATOM 724 CA ASP A 49 -3.959 16.564 -2.293 1.00 0.00 C ATOM 725 C ASP A 49 -2.493 16.218 -2.532 1.00 0.00 C ATOM 726 O ASP A 49 -1.891 15.460 -1.772 1.00 0.00 O ATOM 727 CB ASP A 49 -4.066 17.785 -1.378 1.00 0.00 C ATOM 728 CG ASP A 49 -5.283 18.634 -1.685 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.336 19.218 -2.787 1.00 0.00 O ATOM 730 OD2 ASP A 49 -6.183 18.715 -0.822 1.00 0.00 O ATOM 0 H ASP A 49 -4.077 14.638 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.419 16.798 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.110 17.455 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.167 18.393 -1.482 1.00 0.00 H new ATOM 735 N ARG A 50 -1.924 16.779 -3.594 1.00 0.00 N ATOM 736 CA ARG A 50 -0.529 16.528 -3.935 1.00 0.00 C ATOM 737 C ARG A 50 0.393 16.946 -2.793 1.00 0.00 C ATOM 738 O ARG A 50 0.654 18.132 -2.594 1.00 0.00 O ATOM 739 CB ARG A 50 -0.150 17.281 -5.212 1.00 0.00 C ATOM 740 CG ARG A 50 -0.390 16.483 -6.483 1.00 0.00 C ATOM 741 CD ARG A 50 0.590 16.873 -7.579 1.00 0.00 C ATOM 742 NE ARG A 50 1.803 16.062 -7.542 1.00 0.00 N ATOM 743 CZ ARG A 50 2.943 16.417 -8.124 1.00 0.00 C ATOM 744 NH1 ARG A 50 3.025 17.564 -8.784 1.00 0.00 N ATOM 745 NH2 ARG A 50 4.005 15.625 -8.047 1.00 0.00 N ATOM 0 H ARG A 50 -2.408 17.410 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.409 15.458 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.722 18.207 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.903 17.559 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.294 15.419 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.410 16.647 -6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.109 16.762 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.854 17.925 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 50 1.774 15.174 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.211 18.176 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.902 17.834 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.947 14.742 -7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.879 15.900 -8.495 1.00 0.00 H new ATOM 759 N GLY A 51 0.884 15.962 -2.045 1.00 0.00 N ATOM 760 CA GLY A 51 1.771 16.248 -0.933 1.00 0.00 C ATOM 761 C GLY A 51 1.073 16.136 0.408 1.00 0.00 C ATOM 762 O GLY A 51 1.688 16.335 1.455 1.00 0.00 O ATOM 0 H GLY A 51 0.683 14.972 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.615 15.559 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.177 17.253 -1.045 1.00 0.00 H new ATOM 766 N GLY A 52 -0.218 15.817 0.378 1.00 0.00 N ATOM 767 CA GLY A 52 -0.979 15.686 1.606 1.00 0.00 C ATOM 768 C GLY A 52 -0.472 14.560 2.485 1.00 0.00 C ATOM 769 O GLY A 52 0.461 13.847 2.117 1.00 0.00 O ATOM 0 H GLY A 52 -0.750 15.647 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.933 16.624 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.027 15.510 1.363 1.00 0.00 H new ATOM 773 N LYS A 53 -1.087 14.400 3.652 1.00 0.00 N ATOM 774 CA LYS A 53 -0.693 13.354 4.588 1.00 0.00 C ATOM 775 C LYS A 53 -1.868 12.430 4.897 1.00 0.00 C ATOM 776 O LYS A 53 -2.971 12.890 5.193 1.00 0.00 O ATOM 777 CB LYS A 53 -0.163 13.972 5.883 1.00 0.00 C ATOM 778 CG LYS A 53 1.332 14.241 5.862 1.00 0.00 C ATOM 779 CD LYS A 53 1.714 15.173 4.724 1.00 0.00 C ATOM 780 CE LYS A 53 3.059 15.836 4.976 1.00 0.00 C ATOM 781 NZ LYS A 53 4.187 14.873 4.844 1.00 0.00 N ATOM 0 H LYS A 53 -1.861 14.982 3.972 1.00 0.00 H new ATOM 0 HA LYS A 53 0.098 12.765 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.689 14.908 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.392 13.305 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.637 14.680 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.871 13.299 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.753 14.612 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.946 15.938 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.197 16.656 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.068 16.270 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.086 15.364 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.069 14.104 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.195 14.477 3.882 1.00 0.00 H new ATOM 795 N PHE A 54 -1.623 11.126 4.826 1.00 0.00 N ATOM 796 CA PHE A 54 -2.660 10.138 5.099 1.00 0.00 C ATOM 797 C PHE A 54 -2.263 9.241 6.268 1.00 0.00 C ATOM 798 O PHE A 54 -1.282 8.501 6.192 1.00 0.00 O ATOM 799 CB PHE A 54 -2.923 9.286 3.855 1.00 0.00 C ATOM 800 CG PHE A 54 -1.901 8.207 3.640 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.037 6.973 4.256 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.803 8.426 2.823 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.098 5.978 4.061 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.138 7.434 2.624 1.00 0.00 C ATOM 805 CZ PHE A 54 -0.009 6.209 3.244 1.00 0.00 C ATOM 0 H PHE A 54 -0.716 10.729 4.582 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.573 10.671 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.909 8.830 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.945 9.934 2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.887 6.787 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.682 9.383 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.216 5.021 4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.988 7.617 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.726 5.433 3.090 1.00 0.00 H new ATOM 815 N HIS A 55 -3.033 9.313 7.349 1.00 0.00 N ATOM 816 CA HIS A 55 -2.763 8.508 8.535 1.00 0.00 C ATOM 817 C HIS A 55 -3.909 7.540 8.808 1.00 0.00 C ATOM 818 O HIS A 55 -5.080 7.908 8.718 1.00 0.00 O ATOM 819 CB HIS A 55 -2.542 9.410 9.750 1.00 0.00 C ATOM 820 CG HIS A 55 -1.505 8.894 10.699 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.974 7.625 10.616 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.899 9.485 11.755 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.087 7.456 11.581 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.023 8.571 12.286 1.00 0.00 N ATOM 0 H HIS A 55 -3.849 9.920 7.428 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.858 7.929 8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.247 10.402 9.407 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.486 9.525 10.283 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.226 6.925 9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.072 10.489 12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.487 6.559 11.762 1.00 0.00 H new ATOM 833 N MET A 56 -3.564 6.300 9.139 1.00 0.00 N ATOM 834 CA MET A 56 -4.565 5.279 9.425 1.00 0.00 C ATOM 835 C MET A 56 -4.079 4.330 10.516 1.00 0.00 C ATOM 836 O MET A 56 -2.954 4.452 11.002 1.00 0.00 O ATOM 837 CB MET A 56 -4.895 4.489 8.157 1.00 0.00 C ATOM 838 CG MET A 56 -3.759 4.457 7.148 1.00 0.00 C ATOM 839 SD MET A 56 -3.736 2.939 6.175 1.00 0.00 S ATOM 840 CE MET A 56 -5.388 2.954 5.485 1.00 0.00 C ATOM 0 H MET A 56 -2.599 5.978 9.216 1.00 0.00 H new ATOM 0 HA MET A 56 -5.466 5.779 9.779 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.154 3.467 8.433 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.776 4.925 7.686 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.849 5.312 6.478 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.809 4.562 7.673 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.355 2.602 4.454 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.033 2.299 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.783 3.970 5.509 1.00 0.00 H new ATOM 850 N VAL A 57 -4.934 3.387 10.898 1.00 0.00 N ATOM 851 CA VAL A 57 -4.590 2.417 11.932 1.00 0.00 C ATOM 852 C VAL A 57 -4.301 3.109 13.259 1.00 0.00 C ATOM 853 O VAL A 57 -3.280 2.850 13.897 1.00 0.00 O ATOM 854 CB VAL A 57 -3.366 1.575 11.527 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.221 0.369 12.442 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.475 1.142 10.073 1.00 0.00 C ATOM 0 H VAL A 57 -5.869 3.274 10.508 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.451 1.759 12.048 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.472 2.190 11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.351 -0.214 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.093 0.706 13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.115 -0.251 12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.602 0.548 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.376 0.544 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.525 2.023 9.434 1.00 0.00 H new ATOM 866 N ASP A 58 -5.207 3.989 13.671 1.00 0.00 N ATOM 867 CA ASP A 58 -5.051 4.718 14.925 1.00 0.00 C ATOM 868 C ASP A 58 -3.769 5.545 14.916 1.00 0.00 C ATOM 869 O ASP A 58 -3.210 5.853 15.968 1.00 0.00 O ATOM 870 CB ASP A 58 -5.037 3.746 16.106 1.00 0.00 C ATOM 871 CG ASP A 58 -5.588 4.368 17.374 1.00 0.00 C ATOM 872 OD1 ASP A 58 -4.954 5.308 17.898 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.654 3.916 17.841 1.00 0.00 O ATOM 0 H ASP A 58 -6.057 4.215 13.155 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.899 5.395 15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.624 2.863 15.853 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.016 3.410 16.284 1.00 0.00 H new ATOM 878 N GLY A 59 -3.308 5.901 13.721 1.00 0.00 N ATOM 879 CA GLY A 59 -2.096 6.688 13.598 1.00 0.00 C ATOM 880 C GLY A 59 -0.845 5.831 13.604 1.00 0.00 C ATOM 881 O GLY A 59 0.225 6.287 14.005 1.00 0.00 O ATOM 0 H GLY A 59 -3.753 5.658 12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.133 7.265 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.046 7.404 14.419 1.00 0.00 H new ATOM 885 N ASN A 60 -0.981 4.586 13.159 1.00 0.00 N ATOM 886 CA ASN A 60 0.147 3.663 13.117 1.00 0.00 C ATOM 887 C ASN A 60 0.766 3.622 11.723 1.00 0.00 C ATOM 888 O ASN A 60 1.902 3.181 11.549 1.00 0.00 O ATOM 889 CB ASN A 60 -0.301 2.259 13.530 1.00 0.00 C ATOM 890 CG ASN A 60 -0.179 2.029 15.024 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.915 1.804 15.542 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.306 2.084 15.724 1.00 0.00 N ATOM 0 H ASN A 60 -1.860 4.194 12.823 1.00 0.00 H new ATOM 0 HA ASN A 60 0.901 4.018 13.819 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.336 2.107 13.225 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.299 1.519 13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.287 1.937 16.733 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.190 2.273 15.253 1.00 0.00 H new ATOM 899 N VAL A 61 0.010 4.086 10.733 1.00 0.00 N ATOM 900 CA VAL A 61 0.484 4.105 9.354 1.00 0.00 C ATOM 901 C VAL A 61 0.249 5.467 8.711 1.00 0.00 C ATOM 902 O VAL A 61 -0.892 5.896 8.542 1.00 0.00 O ATOM 903 CB VAL A 61 -0.211 3.023 8.507 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.134 3.193 7.035 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.174 1.635 8.996 1.00 0.00 C ATOM 0 H VAL A 61 -0.933 4.454 10.860 1.00 0.00 H new ATOM 0 HA VAL A 61 1.554 3.901 9.384 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.289 3.137 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.366 2.419 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.197 4.174 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.212 3.107 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.326 0.883 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.254 1.508 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.129 1.519 10.037 1.00 0.00 H new ATOM 915 N SER A 62 1.336 6.142 8.353 1.00 0.00 N ATOM 916 CA SER A 62 1.249 7.458 7.731 1.00 0.00 C ATOM 917 C SER A 62 1.955 7.467 6.379 1.00 0.00 C ATOM 918 O SER A 62 2.533 6.465 5.960 1.00 0.00 O ATOM 919 CB SER A 62 1.862 8.520 8.646 1.00 0.00 C ATOM 920 OG SER A 62 3.198 8.193 8.984 1.00 0.00 O ATOM 0 H SER A 62 2.288 5.799 8.483 1.00 0.00 H new ATOM 0 HA SER A 62 0.196 7.689 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.836 9.490 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.266 8.610 9.554 1.00 0.00 H new ATOM 0 HG SER A 62 3.567 8.888 9.568 1.00 0.00 H new ATOM 926 N GLY A 63 1.904 8.609 5.699 1.00 0.00 N ATOM 927 CA GLY A 63 2.541 8.729 4.401 1.00 0.00 C ATOM 928 C GLY A 63 2.340 10.097 3.780 1.00 0.00 C ATOM 929 O GLY A 63 1.942 11.041 4.461 1.00 0.00 O ATOM 0 H GLY A 63 1.433 9.453 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.608 8.534 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.141 7.967 3.732 1.00 0.00 H new ATOM 933 N GLU A 64 2.618 10.204 2.484 1.00 0.00 N ATOM 934 CA GLU A 64 2.467 11.468 1.773 1.00 0.00 C ATOM 935 C GLU A 64 2.122 11.230 0.306 1.00 0.00 C ATOM 936 O GLU A 64 2.675 10.335 -0.335 1.00 0.00 O ATOM 937 CB GLU A 64 3.750 12.295 1.879 1.00 0.00 C ATOM 938 CG GLU A 64 4.734 12.039 0.750 1.00 0.00 C ATOM 939 CD GLU A 64 5.962 12.925 0.834 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.422 13.194 1.963 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.462 13.348 -0.229 1.00 0.00 O ATOM 0 H GLU A 64 2.949 9.431 1.906 1.00 0.00 H new ATOM 0 HA GLU A 64 1.648 12.020 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.490 13.354 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.236 12.076 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.043 10.994 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.236 12.204 -0.205 1.00 0.00 H new ATOM 948 N PHE A 65 1.205 12.035 -0.219 1.00 0.00 N ATOM 949 CA PHE A 65 0.785 11.912 -1.610 1.00 0.00 C ATOM 950 C PHE A 65 1.777 12.602 -2.541 1.00 0.00 C ATOM 951 O PHE A 65 1.990 13.812 -2.454 1.00 0.00 O ATOM 952 CB PHE A 65 -0.611 12.511 -1.798 1.00 0.00 C ATOM 953 CG PHE A 65 -1.716 11.620 -1.308 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.516 10.776 -0.227 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.955 11.627 -1.928 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.532 9.955 0.227 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.975 10.809 -1.478 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.762 9.971 -0.400 1.00 0.00 C ATOM 0 H PHE A 65 0.738 12.780 0.298 1.00 0.00 H new ATOM 0 HA PHE A 65 0.755 10.852 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.663 13.464 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.768 12.723 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.556 10.759 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.126 12.279 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.364 9.302 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.937 10.825 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.557 9.330 -0.048 1.00 0.00 H new ATOM 968 N THR A 66 2.382 11.824 -3.433 1.00 0.00 N ATOM 969 CA THR A 66 3.353 12.358 -4.379 1.00 0.00 C ATOM 970 C THR A 66 2.707 12.637 -5.732 1.00 0.00 C ATOM 971 O THR A 66 3.012 13.636 -6.382 1.00 0.00 O ATOM 972 CB THR A 66 4.536 11.391 -4.578 1.00 0.00 C ATOM 973 OG1 THR A 66 4.069 10.152 -5.122 1.00 0.00 O ATOM 974 CG2 THR A 66 5.252 11.135 -3.260 1.00 0.00 C ATOM 0 H THR A 66 2.216 10.821 -3.520 1.00 0.00 H new ATOM 0 HA THR A 66 3.724 13.292 -3.956 1.00 0.00 H new ATOM 0 HB THR A 66 5.240 11.850 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.129 10.021 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.083 10.450 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.631 12.077 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.555 10.695 -2.547 1.00 0.00 H new ATOM 982 N ASP A 67 1.813 11.747 -6.149 1.00 0.00 N ATOM 983 CA ASP A 67 1.121 11.898 -7.424 1.00 0.00 C ATOM 984 C ASP A 67 -0.337 11.467 -7.306 1.00 0.00 C ATOM 985 O ASP A 67 -0.663 10.539 -6.564 1.00 0.00 O ATOM 986 CB ASP A 67 1.822 11.079 -8.509 1.00 0.00 C ATOM 987 CG ASP A 67 1.678 11.698 -9.885 1.00 0.00 C ATOM 988 OD1 ASP A 67 1.570 12.939 -9.970 1.00 0.00 O ATOM 989 OD2 ASP A 67 1.674 10.941 -10.878 1.00 0.00 O ATOM 0 H ASP A 67 1.550 10.914 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 67 1.148 12.952 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.880 10.987 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.409 10.070 -8.522 1.00 0.00 H new ATOM 994 N LEU A 68 -1.211 12.146 -8.040 1.00 0.00 N ATOM 995 CA LEU A 68 -2.636 11.834 -8.018 1.00 0.00 C ATOM 996 C LEU A 68 -3.257 12.021 -9.398 1.00 0.00 C ATOM 997 O LEU A 68 -3.383 13.144 -9.887 1.00 0.00 O ATOM 998 CB LEU A 68 -3.356 12.718 -6.998 1.00 0.00 C ATOM 999 CG LEU A 68 -2.935 12.540 -5.539 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.357 13.744 -4.711 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.527 11.261 -4.965 1.00 0.00 C ATOM 0 H LEU A 68 -0.958 12.917 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.749 10.789 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.199 13.760 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.426 12.526 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.848 12.462 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.049 13.599 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.884 14.642 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.441 13.854 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.217 11.151 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.615 11.309 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.174 10.406 -5.542 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.645 10.913 -10.022 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.256 10.955 -11.345 1.00 0.00 C ATOM 1015 C VAL A 69 -5.733 10.583 -11.281 1.00 0.00 C ATOM 1016 O VAL A 69 -6.136 9.664 -10.568 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.540 10.005 -12.324 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.032 10.234 -13.746 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.033 10.187 -12.237 1.00 0.00 C ATOM 0 H VAL A 69 -3.547 9.975 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.158 11.979 -11.706 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.775 8.978 -12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.515 9.554 -14.424 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.105 10.048 -13.794 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.829 11.264 -14.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.544 9.508 -12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.776 11.215 -12.490 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.698 9.968 -11.223 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.561 11.313 -12.043 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.007 11.077 -12.091 1.00 0.00 C ATOM 1031 C PRO A 70 -8.348 9.603 -12.284 1.00 0.00 C ATOM 1032 O PRO A 70 -8.085 9.030 -13.340 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.459 11.894 -13.304 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.443 12.975 -13.433 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.149 12.424 -12.917 1.00 0.00 C ATOM 0 HA PRO A 70 -8.498 11.362 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.499 11.279 -14.203 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.457 12.305 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.342 13.287 -14.472 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.742 13.855 -12.863 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.510 12.078 -13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.585 13.177 -12.367 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.935 8.997 -11.257 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.311 7.589 -11.315 1.00 0.00 C ATOM 1045 C GLU A 71 -8.369 6.811 -12.229 1.00 0.00 C ATOM 1046 O GLU A 71 -8.809 6.056 -13.095 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.752 7.444 -11.807 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.750 8.283 -11.027 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.150 8.212 -11.604 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.448 7.233 -12.320 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.948 9.135 -11.339 1.00 0.00 O ATOM 0 H GLU A 71 -9.160 9.458 -10.376 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.235 7.177 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.798 7.725 -12.859 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.044 6.396 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.771 7.946 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.417 9.321 -11.018 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.069 7.003 -12.030 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.062 6.320 -12.834 1.00 0.00 C ATOM 1060 C LYS A 72 -5.058 5.592 -11.946 1.00 0.00 C ATOM 1061 O LYS A 72 -4.903 4.374 -12.036 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.333 7.322 -13.732 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.071 7.631 -15.023 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.110 7.815 -16.185 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.783 6.489 -16.854 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.618 6.604 -17.775 1.00 0.00 N ATOM 0 H LYS A 72 -6.688 7.626 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.569 5.583 -13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.181 8.249 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.345 6.929 -13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.765 6.822 -15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.666 8.535 -14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.548 8.494 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.191 8.280 -15.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.570 5.740 -16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.652 6.139 -17.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.427 5.679 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.830 7.300 -18.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.782 6.913 -17.240 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.379 6.346 -11.087 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.391 5.772 -10.181 1.00 0.00 C ATOM 1082 C HIS A 73 -3.053 6.747 -9.057 1.00 0.00 C ATOM 1083 O HIS A 73 -3.329 7.943 -9.156 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.122 5.398 -10.947 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.008 6.386 -10.779 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.317 6.017 -10.682 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.028 7.736 -10.693 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.063 7.098 -10.542 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.271 8.155 -10.546 1.00 0.00 N ATOM 0 H HIS A 73 -4.495 7.356 -11.000 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.819 4.871 -9.740 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.781 4.418 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.360 5.308 -12.007 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.904 8.367 -10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.138 7.115 -10.441 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.575 9.124 -10.455 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.455 6.228 -7.990 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.080 7.053 -6.848 1.00 0.00 C ATOM 1100 C ILE A 74 -0.708 6.658 -6.313 1.00 0.00 C ATOM 1101 O ILE A 74 -0.442 5.483 -6.059 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.113 6.944 -5.711 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.496 7.370 -6.207 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.685 7.794 -4.524 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.619 6.988 -5.268 1.00 0.00 C ATOM 0 H ILE A 74 -2.220 5.240 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.048 8.084 -7.200 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.168 5.904 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.505 8.451 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.679 6.918 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.425 7.707 -3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.718 7.449 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.605 8.836 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.570 7.321 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.637 5.905 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.460 7.462 -4.299 1.00 0.00 H new ATOM 1117 N VAL A 75 0.162 7.649 -6.141 1.00 0.00 N ATOM 1118 CA VAL A 75 1.507 7.407 -5.632 1.00 0.00 C ATOM 1119 C VAL A 75 1.733 8.132 -4.311 1.00 0.00 C ATOM 1120 O VAL A 75 1.619 9.355 -4.235 1.00 0.00 O ATOM 1121 CB VAL A 75 2.578 7.857 -6.643 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.934 7.268 -6.282 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.176 7.463 -8.056 1.00 0.00 C ATOM 0 H VAL A 75 -0.041 8.627 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 75 1.597 6.333 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 75 2.658 8.943 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.678 7.597 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.224 7.605 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.873 6.180 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.944 7.789 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.067 6.380 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.228 7.937 -8.310 1.00 0.00 H new ATOM 1133 N MET A 76 2.056 7.369 -3.271 1.00 0.00 N ATOM 1134 CA MET A 76 2.301 7.940 -1.952 1.00 0.00 C ATOM 1135 C MET A 76 3.284 7.082 -1.162 1.00 0.00 C ATOM 1136 O MET A 76 3.663 5.994 -1.597 1.00 0.00 O ATOM 1137 CB MET A 76 0.987 8.073 -1.179 1.00 0.00 C ATOM 1138 CG MET A 76 0.480 6.757 -0.611 1.00 0.00 C ATOM 1139 SD MET A 76 -1.287 6.789 -0.255 1.00 0.00 S ATOM 1140 CE MET A 76 -1.836 5.327 -1.131 1.00 0.00 C ATOM 0 H MET A 76 2.154 6.355 -3.317 1.00 0.00 H new ATOM 0 HA MET A 76 2.737 8.930 -2.087 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.125 8.782 -0.363 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.227 8.491 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.689 5.955 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.027 6.526 0.303 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.912 5.210 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.603 5.429 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.327 4.450 -0.731 1.00 0.00 H new ATOM 1150 N LYS A 77 3.695 7.578 0.000 1.00 0.00 N ATOM 1151 CA LYS A 77 4.634 6.858 0.851 1.00 0.00 C ATOM 1152 C LYS A 77 3.896 6.057 1.919 1.00 0.00 C ATOM 1153 O LYS A 77 2.786 6.411 2.317 1.00 0.00 O ATOM 1154 CB LYS A 77 5.608 7.835 1.513 1.00 0.00 C ATOM 1155 CG LYS A 77 6.717 8.307 0.590 1.00 0.00 C ATOM 1156 CD LYS A 77 7.817 9.020 1.358 1.00 0.00 C ATOM 1157 CE LYS A 77 7.526 10.506 1.500 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.716 11.261 1.979 1.00 0.00 N ATOM 0 H LYS A 77 3.392 8.477 0.374 1.00 0.00 H new ATOM 0 HA LYS A 77 5.195 6.165 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.052 8.701 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.052 7.357 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.138 7.453 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.304 8.978 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.920 8.573 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.769 8.882 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.205 10.907 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.700 10.649 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.446 12.246 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.079 10.821 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.455 11.244 1.248 1.00 0.00 H new ATOM 1172 N TRP A 78 4.519 4.979 2.380 1.00 0.00 N ATOM 1173 CA TRP A 78 3.921 4.129 3.404 1.00 0.00 C ATOM 1174 C TRP A 78 4.960 3.708 4.437 1.00 0.00 C ATOM 1175 O TRP A 78 6.120 3.469 4.102 1.00 0.00 O ATOM 1176 CB TRP A 78 3.289 2.892 2.764 1.00 0.00 C ATOM 1177 CG TRP A 78 2.221 2.266 3.609 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.871 2.420 3.470 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.414 1.389 4.724 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.213 1.692 4.432 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.137 1.050 5.213 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.541 0.857 5.356 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.960 0.203 6.304 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.363 0.017 6.438 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.080 -0.304 6.903 1.00 0.00 C ATOM 0 H TRP A 78 5.438 4.672 2.061 1.00 0.00 H new ATOM 0 HA TRP A 78 3.145 4.704 3.910 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.864 3.168 1.799 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.068 2.154 2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.391 3.025 2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.799 1.638 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.533 1.098 5.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.027 -0.045 6.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.227 -0.400 6.934 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.974 -0.965 7.751 1.00 0.00 H new ATOM 1196 N ARG A 79 4.537 3.618 5.693 1.00 0.00 N ATOM 1197 CA ARG A 79 5.432 3.226 6.775 1.00 0.00 C ATOM 1198 C ARG A 79 4.658 3.019 8.074 1.00 0.00 C ATOM 1199 O ARG A 79 3.515 3.458 8.204 1.00 0.00 O ATOM 1200 CB ARG A 79 6.516 4.287 6.979 1.00 0.00 C ATOM 1201 CG ARG A 79 5.975 5.628 7.447 1.00 0.00 C ATOM 1202 CD ARG A 79 6.983 6.363 8.317 1.00 0.00 C ATOM 1203 NE ARG A 79 7.155 5.720 9.617 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.638 6.342 10.686 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.994 7.617 10.611 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.765 5.690 11.834 1.00 0.00 N ATOM 0 H ARG A 79 3.580 3.811 5.987 1.00 0.00 H new ATOM 0 HA ARG A 79 5.903 2.283 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.238 3.921 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.055 4.429 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.723 6.242 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.053 5.474 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.943 6.404 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.654 7.392 8.462 1.00 0.00 H new ATOM 0 HE ARG A 79 6.890 4.739 9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.897 8.123 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.365 8.092 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.491 4.709 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.136 6.169 12.654 1.00 0.00 H new ATOM 1220 N PHE A 80 5.288 2.348 9.032 1.00 0.00 N ATOM 1221 CA PHE A 80 4.658 2.081 10.319 1.00 0.00 C ATOM 1222 C PHE A 80 5.100 3.103 11.363 1.00 0.00 C ATOM 1223 O PHE A 80 6.105 3.791 11.188 1.00 0.00 O ATOM 1224 CB PHE A 80 5.001 0.668 10.796 1.00 0.00 C ATOM 1225 CG PHE A 80 3.975 -0.360 10.413 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.623 -0.100 10.571 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.362 -1.586 9.896 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.675 -1.043 10.219 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.419 -2.532 9.542 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.074 -2.261 9.705 1.00 0.00 C ATOM 0 H PHE A 80 6.235 1.979 8.941 1.00 0.00 H new ATOM 0 HA PHE A 80 3.579 2.162 10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.967 0.378 10.382 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.109 0.676 11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.306 0.851 10.974 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.412 -1.805 9.768 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.624 -0.827 10.346 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.733 -3.483 9.138 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.336 -3.000 9.431 1.00 0.00 H new ATOM 1240 N LYS A 81 4.340 3.196 12.449 1.00 0.00 N ATOM 1241 CA LYS A 81 4.651 4.132 13.523 1.00 0.00 C ATOM 1242 C LYS A 81 5.839 3.642 14.345 1.00 0.00 C ATOM 1243 O LYS A 81 6.290 4.321 15.267 1.00 0.00 O ATOM 1244 CB LYS A 81 3.433 4.323 14.430 1.00 0.00 C ATOM 1245 CG LYS A 81 3.757 5.007 15.747 1.00 0.00 C ATOM 1246 CD LYS A 81 4.119 3.999 16.824 1.00 0.00 C ATOM 1247 CE LYS A 81 2.878 3.354 17.423 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.127 2.847 18.801 1.00 0.00 N ATOM 0 H LYS A 81 3.504 2.634 12.609 1.00 0.00 H new ATOM 0 HA LYS A 81 4.914 5.089 13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.684 4.911 13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.987 3.350 14.636 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.585 5.701 15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.900 5.597 16.072 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.763 3.228 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.689 4.494 17.610 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.066 4.080 17.445 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.553 2.531 16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.258 2.415 19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.885 2.135 18.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.412 3.636 19.415 1.00 0.00 H new ATOM 1262 N SER A 82 6.341 2.459 14.004 1.00 0.00 N ATOM 1263 CA SER A 82 7.475 1.878 14.713 1.00 0.00 C ATOM 1264 C SER A 82 8.702 1.807 13.809 1.00 0.00 C ATOM 1265 O SER A 82 9.823 1.610 14.280 1.00 0.00 O ATOM 1266 CB SER A 82 7.122 0.479 15.222 1.00 0.00 C ATOM 1267 OG SER A 82 8.265 -0.178 15.742 1.00 0.00 O ATOM 0 H SER A 82 5.981 1.885 13.242 1.00 0.00 H new ATOM 0 HA SER A 82 7.708 2.519 15.563 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.357 0.552 15.995 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.698 -0.111 14.409 1.00 0.00 H new ATOM 0 HG SER A 82 9.068 0.338 15.521 1.00 0.00 H new ATOM 1273 N TRP A 83 8.482 1.971 12.510 1.00 0.00 N ATOM 1274 CA TRP A 83 9.570 1.926 11.539 1.00 0.00 C ATOM 1275 C TRP A 83 10.680 2.899 11.920 1.00 0.00 C ATOM 1276 O TRP A 83 10.475 3.844 12.682 1.00 0.00 O ATOM 1277 CB TRP A 83 9.046 2.253 10.140 1.00 0.00 C ATOM 1278 CG TRP A 83 8.516 1.056 9.409 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.190 -0.155 9.949 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.254 0.956 8.005 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.740 -1.002 8.965 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.769 -0.344 7.764 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.380 1.839 6.929 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.412 -0.781 6.491 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 8.025 1.404 5.666 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.546 0.104 5.456 1.00 0.00 C ATOM 0 H TRP A 83 7.561 2.136 12.104 1.00 0.00 H new ATOM 0 HA TRP A 83 9.982 0.917 11.538 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.256 2.999 10.221 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.849 2.701 9.555 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.274 -0.410 10.995 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.434 -1.965 9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.748 2.843 7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.043 -1.782 6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.118 2.077 4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.277 -0.206 4.457 1.00 0.00 H new ATOM 1297 N PRO A 84 11.885 2.666 11.379 1.00 0.00 N ATOM 1298 CA PRO A 84 13.051 3.513 11.648 1.00 0.00 C ATOM 1299 C PRO A 84 12.772 4.987 11.375 1.00 0.00 C ATOM 1300 O PRO A 84 11.654 5.361 11.022 1.00 0.00 O ATOM 1301 CB PRO A 84 14.107 2.980 10.677 1.00 0.00 C ATOM 1302 CG PRO A 84 13.715 1.564 10.429 1.00 0.00 C ATOM 1303 CD PRO A 84 12.201 1.558 10.462 1.00 0.00 C ATOM 0 HA PRO A 84 13.354 3.470 12.694 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.119 3.555 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.107 3.044 11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.089 1.215 9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.128 0.902 11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.775 1.720 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.809 0.608 10.826 1.00 0.00 H new ATOM 1311 N GLU A 85 13.795 5.819 11.542 1.00 0.00 N ATOM 1312 CA GLU A 85 13.658 7.252 11.314 1.00 0.00 C ATOM 1313 C GLU A 85 13.822 7.586 9.834 1.00 0.00 C ATOM 1314 O GLU A 85 14.720 7.075 9.167 1.00 0.00 O ATOM 1315 CB GLU A 85 14.691 8.024 12.139 1.00 0.00 C ATOM 1316 CG GLU A 85 14.787 9.495 11.772 1.00 0.00 C ATOM 1317 CD GLU A 85 16.125 10.103 12.146 1.00 0.00 C ATOM 1318 OE1 GLU A 85 17.151 9.678 11.576 1.00 0.00 O ATOM 1319 OE2 GLU A 85 16.145 11.005 13.010 1.00 0.00 O ATOM 0 H GLU A 85 14.727 5.525 11.834 1.00 0.00 H new ATOM 0 HA GLU A 85 12.657 7.549 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.438 7.938 13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.669 7.561 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.627 9.609 10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.990 10.044 12.274 1.00 0.00 H new ATOM 1326 N GLY A 86 12.945 8.448 9.327 1.00 0.00 N ATOM 1327 CA GLY A 86 13.008 8.835 7.930 1.00 0.00 C ATOM 1328 C GLY A 86 13.110 7.641 7.002 1.00 0.00 C ATOM 1329 O GLY A 86 13.997 7.582 6.149 1.00 0.00 O ATOM 0 H GLY A 86 12.192 8.885 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.120 9.414 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.868 9.486 7.775 1.00 0.00 H new ATOM 1333 N HIS A 87 12.202 6.685 7.168 1.00 0.00 N ATOM 1334 CA HIS A 87 12.194 5.486 6.338 1.00 0.00 C ATOM 1335 C HIS A 87 10.780 5.159 5.868 1.00 0.00 C ATOM 1336 O HIS A 87 9.979 4.601 6.618 1.00 0.00 O ATOM 1337 CB HIS A 87 12.773 4.301 7.112 1.00 0.00 C ATOM 1338 CG HIS A 87 13.080 3.115 6.250 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.365 2.712 5.954 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.260 2.241 5.621 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.322 1.644 5.179 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.056 1.337 4.962 1.00 0.00 N ATOM 0 H HIS A 87 11.462 6.717 7.870 1.00 0.00 H new ATOM 0 HA HIS A 87 12.814 5.677 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.685 4.618 7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.066 4.004 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.180 2.253 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.177 1.112 4.789 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.724 0.556 4.397 1.00 0.00 H new ATOM 1351 N PHE A 88 10.479 5.512 4.622 1.00 0.00 N ATOM 1352 CA PHE A 88 9.161 5.258 4.053 1.00 0.00 C ATOM 1353 C PHE A 88 9.264 4.366 2.819 1.00 0.00 C ATOM 1354 O PHE A 88 10.358 4.100 2.322 1.00 0.00 O ATOM 1355 CB PHE A 88 8.478 6.577 3.687 1.00 0.00 C ATOM 1356 CG PHE A 88 8.155 7.435 4.877 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.164 7.919 5.693 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.842 7.757 5.179 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.871 8.709 6.789 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.542 8.547 6.272 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.557 9.023 7.079 1.00 0.00 C ATOM 0 H PHE A 88 11.130 5.975 3.988 1.00 0.00 H new ATOM 0 HA PHE A 88 8.562 4.742 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.124 7.136 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.558 6.362 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.193 7.676 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.044 7.386 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.667 9.080 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.514 8.792 6.495 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.324 9.639 7.935 1.00 0.00 H new ATOM 1371 N ALA A 89 8.117 3.907 2.330 1.00 0.00 N ATOM 1372 CA ALA A 89 8.077 3.047 1.154 1.00 0.00 C ATOM 1373 C ALA A 89 7.222 3.663 0.052 1.00 0.00 C ATOM 1374 O ALA A 89 6.098 4.104 0.295 1.00 0.00 O ATOM 1375 CB ALA A 89 7.549 1.669 1.526 1.00 0.00 C ATOM 0 H ALA A 89 7.203 4.117 2.730 1.00 0.00 H new ATOM 0 HA ALA A 89 9.094 2.945 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.524 1.037 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.202 1.219 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.542 1.763 1.933 1.00 0.00 H new ATOM 1381 N THR A 90 7.762 3.693 -1.163 1.00 0.00 N ATOM 1382 CA THR A 90 7.050 4.257 -2.302 1.00 0.00 C ATOM 1383 C THR A 90 5.986 3.295 -2.816 1.00 0.00 C ATOM 1384 O THR A 90 6.300 2.204 -3.293 1.00 0.00 O ATOM 1385 CB THR A 90 8.015 4.600 -3.453 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.114 5.372 -2.957 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.297 5.376 -4.548 1.00 0.00 C ATOM 0 H THR A 90 8.691 3.333 -1.383 1.00 0.00 H new ATOM 0 HA THR A 90 6.571 5.172 -1.954 1.00 0.00 H new ATOM 0 HB THR A 90 8.388 3.667 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.724 5.584 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.998 5.607 -5.350 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.479 4.774 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.899 6.303 -4.136 1.00 0.00 H new ATOM 1395 N ILE A 91 4.726 3.706 -2.718 1.00 0.00 N ATOM 1396 CA ILE A 91 3.615 2.881 -3.175 1.00 0.00 C ATOM 1397 C ILE A 91 2.888 3.536 -4.345 1.00 0.00 C ATOM 1398 O ILE A 91 2.653 4.745 -4.346 1.00 0.00 O ATOM 1399 CB ILE A 91 2.606 2.616 -2.042 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.165 1.581 -1.064 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.277 2.148 -2.614 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.339 2.086 -0.254 1.00 0.00 C ATOM 0 H ILE A 91 4.449 4.606 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 91 4.041 1.932 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 91 2.438 3.547 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.372 1.270 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.472 0.696 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.575 1.965 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.875 2.916 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.427 1.227 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.683 1.299 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.149 2.370 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.032 2.953 0.331 1.00 0.00 H new ATOM 1414 N THR A 92 2.533 2.729 -5.340 1.00 0.00 N ATOM 1415 CA THR A 92 1.832 3.229 -6.516 1.00 0.00 C ATOM 1416 C THR A 92 0.625 2.359 -6.848 1.00 0.00 C ATOM 1417 O THR A 92 0.765 1.283 -7.431 1.00 0.00 O ATOM 1418 CB THR A 92 2.762 3.287 -7.742 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.859 4.172 -7.484 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.004 3.757 -8.975 1.00 0.00 C ATOM 0 H THR A 92 2.720 1.726 -5.355 1.00 0.00 H new ATOM 0 HA THR A 92 1.495 4.238 -6.278 1.00 0.00 H new ATOM 0 HB THR A 92 3.142 2.283 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.447 4.202 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.682 3.790 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.188 3.066 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.598 4.753 -8.795 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.559 2.831 -6.475 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.792 2.096 -6.734 1.00 0.00 C ATOM 1430 C LEU A 93 -2.353 2.442 -8.109 1.00 0.00 C ATOM 1431 O LEU A 93 -2.109 3.528 -8.637 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.830 2.404 -5.654 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.615 1.724 -4.302 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.477 2.377 -3.233 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.919 0.236 -4.399 1.00 0.00 C ATOM 0 H LEU A 93 -0.692 3.720 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.562 1.031 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.851 3.482 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.812 2.117 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.569 1.843 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.311 1.880 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.211 3.430 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.528 2.290 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.761 -0.232 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.956 0.096 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.259 -0.223 -5.135 1.00 0.00 H new ATOM 1447 N THR A 94 -3.110 1.513 -8.685 1.00 0.00 N ATOM 1448 CA THR A 94 -3.708 1.720 -9.999 1.00 0.00 C ATOM 1449 C THR A 94 -5.113 1.134 -10.061 1.00 0.00 C ATOM 1450 O THR A 94 -5.369 0.050 -9.536 1.00 0.00 O ATOM 1451 CB THR A 94 -2.850 1.089 -11.112 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.461 1.193 -10.779 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.110 1.770 -12.447 1.00 0.00 C ATOM 0 H THR A 94 -3.324 0.610 -8.262 1.00 0.00 H new ATOM 0 HA THR A 94 -3.760 2.797 -10.158 1.00 0.00 H new ATOM 0 HB THR A 94 -3.124 0.038 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.923 0.788 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.493 1.308 -13.218 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.162 1.663 -12.711 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.862 2.828 -12.370 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.022 1.856 -10.708 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.403 1.407 -10.840 1.00 0.00 C ATOM 1463 C PHE A 95 -7.716 1.025 -12.283 1.00 0.00 C ATOM 1464 O PHE A 95 -7.505 1.814 -13.205 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.364 2.501 -10.370 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.076 2.996 -8.981 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.972 3.795 -8.732 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.910 2.664 -7.926 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.704 4.252 -7.455 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.647 3.118 -6.647 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.543 3.914 -6.412 1.00 0.00 C ATOM 0 H PHE A 95 -5.827 2.755 -11.149 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.533 0.525 -10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.314 3.340 -11.064 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.384 2.118 -10.406 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.313 4.064 -9.545 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.776 2.043 -8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.839 4.873 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.304 2.851 -5.833 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.336 4.271 -5.414 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.220 -0.190 -12.472 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.562 -0.676 -13.803 1.00 0.00 C ATOM 1483 C ILE A 96 -10.045 -1.020 -13.898 1.00 0.00 C ATOM 1484 O ILE A 96 -10.693 -1.302 -12.890 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.733 -1.919 -14.178 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.242 -1.643 -13.980 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -8.015 -2.329 -15.616 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.396 -2.896 -13.936 1.00 0.00 C ATOM 0 H ILE A 96 -8.400 -0.856 -11.720 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.332 0.128 -14.502 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.021 -2.741 -13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.889 -1.004 -14.789 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.104 -1.088 -13.052 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.422 -3.209 -15.867 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.074 -2.562 -15.727 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.751 -1.511 -16.286 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.350 -2.624 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.723 -3.527 -13.109 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.504 -3.441 -14.874 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.575 -0.997 -15.115 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.981 -1.309 -15.343 1.00 0.00 C ATOM 1502 C ASP A 97 -12.134 -2.678 -15.998 1.00 0.00 C ATOM 1503 O ASP A 97 -11.470 -2.983 -16.989 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.628 -0.236 -16.220 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.945 -0.692 -16.817 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.891 -0.946 -16.042 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.029 -0.796 -18.059 1.00 0.00 O ATOM 0 H ASP A 97 -10.052 -0.765 -15.960 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.484 -1.330 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.794 0.663 -15.626 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.943 0.034 -17.023 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.014 -3.502 -15.438 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.256 -4.839 -15.967 1.00 0.00 C ATOM 1514 C LYS A 98 -14.733 -5.037 -16.290 1.00 0.00 C ATOM 1515 O LYS A 98 -15.186 -6.161 -16.503 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.796 -5.897 -14.961 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.380 -5.683 -14.457 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.363 -6.401 -15.329 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.138 -6.817 -14.529 1.00 0.00 C ATOM 1520 NZ LYS A 98 -9.350 -8.110 -13.823 1.00 0.00 N ATOM 0 H LYS A 98 -13.572 -3.267 -14.617 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.684 -4.948 -16.888 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.479 -5.899 -14.111 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.862 -6.881 -15.425 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.157 -4.616 -14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.300 -6.043 -13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.823 -7.282 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.060 -5.749 -16.148 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.281 -6.904 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.898 -6.041 -13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.633 -8.220 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.298 -8.121 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.267 -8.894 -14.501 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.479 -3.937 -16.328 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.905 -3.991 -16.627 1.00 0.00 C ATOM 1536 C ASN A 99 -17.687 -4.560 -15.447 1.00 0.00 C ATOM 1537 O ASN A 99 -18.496 -5.473 -15.608 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.154 -4.840 -17.875 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.366 -4.373 -18.659 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.243 -3.895 -19.786 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.545 -4.512 -18.063 1.00 0.00 N ATOM 0 H ASN A 99 -15.119 -2.998 -16.155 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.251 -2.974 -16.813 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.274 -4.805 -18.517 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.293 -5.881 -17.582 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.396 -4.217 -18.541 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.599 -4.914 -17.127 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.440 -4.014 -14.260 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.129 -4.479 -13.071 1.00 0.00 C ATOM 1550 C GLY A 100 -17.217 -4.547 -11.862 1.00 0.00 C ATOM 1551 O GLY A 100 -17.670 -4.403 -10.727 1.00 0.00 O ATOM 0 H GLY A 100 -16.775 -3.258 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.964 -3.813 -12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.549 -5.467 -13.261 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.929 -4.769 -12.106 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.952 -4.859 -11.027 1.00 0.00 C ATOM 1557 C GLU A 101 -13.738 -3.981 -11.317 1.00 0.00 C ATOM 1558 O GLU A 101 -13.571 -3.481 -12.430 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.510 -6.310 -10.828 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.631 -7.319 -11.016 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.182 -8.744 -10.758 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.112 -8.926 -10.139 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.900 -9.677 -11.174 1.00 0.00 O ATOM 0 H GLU A 101 -15.538 -4.890 -13.040 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.426 -4.503 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.708 -6.536 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.097 -6.421 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.453 -7.073 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.017 -7.242 -12.032 1.00 0.00 H new ATOM 1570 N THR A 102 -12.893 -3.797 -10.308 1.00 0.00 N ATOM 1571 CA THR A 102 -11.696 -2.979 -10.453 1.00 0.00 C ATOM 1572 C THR A 102 -10.468 -3.699 -9.907 1.00 0.00 C ATOM 1573 O THR A 102 -10.440 -4.101 -8.745 1.00 0.00 O ATOM 1574 CB THR A 102 -11.848 -1.627 -9.730 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.934 -0.887 -10.297 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.566 -0.813 -9.830 1.00 0.00 C ATOM 0 H THR A 102 -13.016 -4.204 -9.381 1.00 0.00 H new ATOM 0 HA THR A 102 -11.564 -2.799 -11.520 1.00 0.00 H new ATOM 0 HB THR A 102 -12.054 -1.824 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.697 -0.904 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.697 0.137 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.747 -1.366 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.335 -0.626 -10.879 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.455 -3.857 -10.754 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.225 -4.530 -10.354 1.00 0.00 C ATOM 1586 C GLU A 103 -7.210 -3.529 -9.810 1.00 0.00 C ATOM 1587 O GLU A 103 -6.580 -2.791 -10.569 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.624 -5.289 -11.540 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.325 -6.005 -11.209 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.552 -7.401 -10.662 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.993 -8.276 -11.436 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.288 -7.618 -9.461 1.00 0.00 O ATOM 0 H GLU A 103 -9.462 -3.529 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.469 -5.240 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.350 -6.019 -11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.445 -4.589 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.709 -6.066 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.767 -5.419 -10.479 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.057 -3.509 -8.491 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.119 -2.598 -7.843 1.00 0.00 C ATOM 1601 C LEU A 104 -4.716 -3.195 -7.809 1.00 0.00 C ATOM 1602 O LEU A 104 -4.427 -4.083 -7.006 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.585 -2.281 -6.421 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.689 -1.340 -5.616 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.809 0.085 -6.134 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.042 -1.402 -4.137 1.00 0.00 C ATOM 0 H LEU A 104 -7.570 -4.113 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.088 -1.675 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.582 -1.843 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.678 -3.219 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.655 -1.663 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.164 0.740 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.506 0.118 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.843 0.419 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.394 -0.726 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.082 -1.105 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.904 -2.420 -3.772 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.847 -2.702 -8.685 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.473 -3.185 -8.754 1.00 0.00 C ATOM 1620 C CYS A 105 -1.566 -2.382 -7.828 1.00 0.00 C ATOM 1621 O CYS A 105 -1.049 -1.331 -8.207 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.954 -3.105 -10.191 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.624 -4.273 -10.562 1.00 0.00 S ATOM 0 H CYS A 105 -4.070 -1.968 -9.357 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.464 -4.225 -8.429 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.783 -3.285 -10.876 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.598 -2.093 -10.381 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.254 -4.131 -11.800 1.00 0.00 H new ATOM 1629 N MET A 106 -1.378 -2.883 -6.611 1.00 0.00 N ATOM 1630 CA MET A 106 -0.534 -2.211 -5.630 1.00 0.00 C ATOM 1631 C MET A 106 0.937 -2.539 -5.864 1.00 0.00 C ATOM 1632 O MET A 106 1.302 -3.701 -6.038 1.00 0.00 O ATOM 1633 CB MET A 106 -0.941 -2.617 -4.212 1.00 0.00 C ATOM 1634 CG MET A 106 -0.345 -1.729 -3.132 1.00 0.00 C ATOM 1635 SD MET A 106 1.451 -1.851 -3.044 1.00 0.00 S ATOM 1636 CE MET A 106 1.661 -2.609 -1.435 1.00 0.00 C ATOM 0 H MET A 106 -1.799 -3.752 -6.281 1.00 0.00 H new ATOM 0 HA MET A 106 -0.671 -1.136 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.028 -2.592 -4.133 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.633 -3.647 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.626 -0.693 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.771 -2.002 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.512 -2.155 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.760 -2.457 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.839 -3.677 -1.557 1.00 0.00 H new ATOM 1646 N GLU A 107 1.776 -1.508 -5.865 1.00 0.00 N ATOM 1647 CA GLU A 107 3.208 -1.689 -6.078 1.00 0.00 C ATOM 1648 C GLU A 107 4.015 -0.884 -5.064 1.00 0.00 C ATOM 1649 O GLU A 107 3.905 0.339 -4.997 1.00 0.00 O ATOM 1650 CB GLU A 107 3.591 -1.271 -7.499 1.00 0.00 C ATOM 1651 CG GLU A 107 5.011 -1.652 -7.883 1.00 0.00 C ATOM 1652 CD GLU A 107 6.015 -0.563 -7.560 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.786 0.186 -6.587 1.00 0.00 O ATOM 1654 OE2 GLU A 107 7.030 -0.460 -8.280 1.00 0.00 O ATOM 0 H GLU A 107 1.490 -0.540 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 107 3.439 -2.746 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.897 -1.730 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.475 -0.191 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.292 -2.566 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.049 -1.871 -8.950 1.00 0.00 H new ATOM 1661 N GLY A 108 4.826 -1.581 -4.274 1.00 0.00 N ATOM 1662 CA GLY A 108 5.640 -0.916 -3.274 1.00 0.00 C ATOM 1663 C GLY A 108 7.109 -1.271 -3.390 1.00 0.00 C ATOM 1664 O GLY A 108 7.457 -2.427 -3.633 1.00 0.00 O ATOM 0 H GLY A 108 4.934 -2.595 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.522 0.163 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.282 -1.186 -2.281 1.00 0.00 H new ATOM 1668 N ARG A 109 7.972 -0.276 -3.219 1.00 0.00 N ATOM 1669 CA ARG A 109 9.412 -0.488 -3.310 1.00 0.00 C ATOM 1670 C ARG A 109 10.149 0.317 -2.244 1.00 0.00 C ATOM 1671 O ARG A 109 10.246 1.540 -2.332 1.00 0.00 O ATOM 1672 CB ARG A 109 9.920 -0.100 -4.700 1.00 0.00 C ATOM 1673 CG ARG A 109 9.503 1.297 -5.132 1.00 0.00 C ATOM 1674 CD ARG A 109 9.316 1.381 -6.639 1.00 0.00 C ATOM 1675 NE ARG A 109 10.592 1.429 -7.347 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.721 1.844 -8.602 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.657 2.244 -9.284 1.00 0.00 N ATOM 1678 NH2 ARG A 109 11.916 1.859 -9.178 1.00 0.00 N ATOM 0 H ARG A 109 7.700 0.686 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 109 9.609 -1.547 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 109 11.008 -0.165 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.550 -0.822 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.574 1.571 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.258 2.017 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.743 0.519 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.732 2.269 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 109 11.430 1.127 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.736 2.234 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.759 2.562 -10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.737 1.552 -8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.014 2.178 -10.142 1.00 0.00 H new ATOM 1692 N GLY A 110 10.666 -0.379 -1.235 1.00 0.00 N ATOM 1693 CA GLY A 110 11.386 0.288 -0.167 1.00 0.00 C ATOM 1694 C GLY A 110 10.983 -0.215 1.206 1.00 0.00 C ATOM 1695 O GLY A 110 11.423 0.320 2.224 1.00 0.00 O ATOM 0 H GLY A 110 10.599 -1.392 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.457 0.138 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.204 1.361 -0.225 1.00 0.00 H new ATOM 1699 N ILE A 111 10.144 -1.245 1.234 1.00 0.00 N ATOM 1700 CA ILE A 111 9.682 -1.818 2.491 1.00 0.00 C ATOM 1701 C ILE A 111 10.802 -2.577 3.194 1.00 0.00 C ATOM 1702 O ILE A 111 11.392 -3.510 2.647 1.00 0.00 O ATOM 1703 CB ILE A 111 8.491 -2.770 2.272 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.207 -1.971 2.042 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.334 -3.705 3.462 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.019 -1.529 0.608 1.00 0.00 C ATOM 0 H ILE A 111 9.771 -1.699 0.401 1.00 0.00 H new ATOM 0 HA ILE A 111 9.361 -0.986 3.118 1.00 0.00 H new ATOM 0 HB ILE A 111 8.685 -3.373 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.353 -2.578 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.215 -1.092 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.488 -4.371 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.242 -4.295 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.159 -3.119 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.089 -0.968 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.854 -0.896 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.978 -2.404 -0.040 1.00 0.00 H new ATOM 1718 N PRO A 112 11.103 -2.172 4.437 1.00 0.00 N ATOM 1719 CA PRO A 112 12.153 -2.801 5.242 1.00 0.00 C ATOM 1720 C PRO A 112 12.048 -4.323 5.245 1.00 0.00 C ATOM 1721 O PRO A 112 11.005 -4.882 5.582 1.00 0.00 O ATOM 1722 CB PRO A 112 11.904 -2.246 6.647 1.00 0.00 C ATOM 1723 CG PRO A 112 11.222 -0.940 6.422 1.00 0.00 C ATOM 1724 CD PRO A 112 10.441 -1.067 5.151 1.00 0.00 C ATOM 0 HA PRO A 112 13.148 -2.585 4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.283 -2.921 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.838 -2.116 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.564 -0.700 7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.950 -0.132 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.392 -1.290 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.468 -0.144 4.572 1.00 0.00 H new ATOM 1732 N ALA A 113 13.136 -4.987 4.867 1.00 0.00 N ATOM 1733 CA ALA A 113 13.166 -6.444 4.829 1.00 0.00 C ATOM 1734 C ALA A 113 12.668 -7.038 6.142 1.00 0.00 C ATOM 1735 O ALA A 113 11.867 -7.973 6.164 1.00 0.00 O ATOM 1736 CB ALA A 113 14.574 -6.934 4.525 1.00 0.00 C ATOM 0 H ALA A 113 14.007 -4.539 4.583 1.00 0.00 H new ATOM 0 HA ALA A 113 12.498 -6.777 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.582 -8.024 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.893 -6.546 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.256 -6.584 5.300 1.00 0.00 H new ATOM 1742 N PRO A 114 13.153 -6.486 7.264 1.00 0.00 N ATOM 1743 CA PRO A 114 12.771 -6.946 8.602 1.00 0.00 C ATOM 1744 C PRO A 114 11.262 -6.915 8.817 1.00 0.00 C ATOM 1745 O PRO A 114 10.737 -7.600 9.694 1.00 0.00 O ATOM 1746 CB PRO A 114 13.464 -5.947 9.532 1.00 0.00 C ATOM 1747 CG PRO A 114 14.613 -5.426 8.739 1.00 0.00 C ATOM 1748 CD PRO A 114 14.111 -5.368 7.312 1.00 0.00 C ATOM 0 HA PRO A 114 13.061 -7.982 8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.788 -5.144 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.802 -6.429 10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.920 -4.441 9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.481 -6.080 8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.633 -4.414 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.919 -5.495 6.592 1.00 0.00 H new ATOM 1756 N GLU A 115 10.570 -6.117 8.010 1.00 0.00 N ATOM 1757 CA GLU A 115 9.121 -5.997 8.113 1.00 0.00 C ATOM 1758 C GLU A 115 8.449 -6.355 6.790 1.00 0.00 C ATOM 1759 O GLU A 115 7.229 -6.270 6.659 1.00 0.00 O ATOM 1760 CB GLU A 115 8.732 -4.576 8.527 1.00 0.00 C ATOM 1761 CG GLU A 115 9.492 -4.066 9.739 1.00 0.00 C ATOM 1762 CD GLU A 115 9.028 -4.709 11.032 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.068 -4.192 11.640 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.625 -5.729 11.435 1.00 0.00 O ATOM 0 H GLU A 115 10.990 -5.544 7.278 1.00 0.00 H new ATOM 0 HA GLU A 115 8.778 -6.696 8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.907 -3.902 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.663 -4.548 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.556 -4.259 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.370 -2.985 9.811 1.00 0.00 H new ATOM 1771 N GLU A 116 9.257 -6.756 5.813 1.00 0.00 N ATOM 1772 CA GLU A 116 8.741 -7.125 4.500 1.00 0.00 C ATOM 1773 C GLU A 116 7.544 -8.063 4.630 1.00 0.00 C ATOM 1774 O GLU A 116 6.622 -8.025 3.816 1.00 0.00 O ATOM 1775 CB GLU A 116 9.837 -7.792 3.666 1.00 0.00 C ATOM 1776 CG GLU A 116 9.352 -8.303 2.320 1.00 0.00 C ATOM 1777 CD GLU A 116 10.419 -9.077 1.571 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.399 -9.510 2.212 1.00 0.00 O ATOM 1779 OE2 GLU A 116 10.273 -9.250 0.342 1.00 0.00 O ATOM 0 H GLU A 116 10.270 -6.833 5.906 1.00 0.00 H new ATOM 0 HA GLU A 116 8.415 -6.215 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.644 -7.078 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.256 -8.624 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.482 -8.943 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.026 -7.460 1.711 1.00 0.00 H new ATOM 1786 N GLU A 117 7.568 -8.905 5.659 1.00 0.00 N ATOM 1787 CA GLU A 117 6.486 -9.853 5.894 1.00 0.00 C ATOM 1788 C GLU A 117 5.352 -9.201 6.680 1.00 0.00 C ATOM 1789 O GLU A 117 4.223 -9.108 6.199 1.00 0.00 O ATOM 1790 CB GLU A 117 7.007 -11.078 6.649 1.00 0.00 C ATOM 1791 CG GLU A 117 5.905 -11.989 7.164 1.00 0.00 C ATOM 1792 CD GLU A 117 6.446 -13.230 7.847 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.932 -14.135 7.137 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.384 -13.296 9.093 1.00 0.00 O ATOM 0 H GLU A 117 8.324 -8.949 6.342 1.00 0.00 H new ATOM 0 HA GLU A 117 6.098 -10.170 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.661 -11.649 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.614 -10.745 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.280 -11.436 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.266 -12.286 6.332 1.00 0.00 H new ATOM 1801 N ARG A 118 5.662 -8.753 7.892 1.00 0.00 N ATOM 1802 CA ARG A 118 4.670 -8.112 8.747 1.00 0.00 C ATOM 1803 C ARG A 118 3.905 -7.037 7.979 1.00 0.00 C ATOM 1804 O ARG A 118 2.675 -7.042 7.941 1.00 0.00 O ATOM 1805 CB ARG A 118 5.344 -7.495 9.974 1.00 0.00 C ATOM 1806 CG ARG A 118 4.494 -6.448 10.675 1.00 0.00 C ATOM 1807 CD ARG A 118 5.349 -5.329 11.248 1.00 0.00 C ATOM 1808 NE ARG A 118 5.491 -5.437 12.697 1.00 0.00 N ATOM 1809 CZ ARG A 118 6.369 -6.236 13.292 1.00 0.00 C ATOM 1810 NH1 ARG A 118 7.180 -6.993 12.566 1.00 0.00 N ATOM 1811 NH2 ARG A 118 6.439 -6.278 14.617 1.00 0.00 N ATOM 0 H ARG A 118 6.592 -8.822 8.304 1.00 0.00 H new ATOM 0 HA ARG A 118 3.963 -8.874 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.586 -8.288 10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.287 -7.041 9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.773 -6.032 9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.923 -6.918 11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.335 -5.352 10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.902 -4.367 10.998 1.00 0.00 H new ATOM 0 HE ARG A 118 4.882 -4.867 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 118 7.131 -6.963 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.853 -7.606 13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.818 -5.696 15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 118 7.114 -6.892 15.073 1.00 0.00 H new ATOM 1825 N THR A 119 4.643 -6.114 7.370 1.00 0.00 N ATOM 1826 CA THR A 119 4.036 -5.032 6.605 1.00 0.00 C ATOM 1827 C THR A 119 2.919 -5.553 5.708 1.00 0.00 C ATOM 1828 O THR A 119 1.771 -5.122 5.817 1.00 0.00 O ATOM 1829 CB THR A 119 5.079 -4.303 5.737 1.00 0.00 C ATOM 1830 OG1 THR A 119 6.148 -3.821 6.558 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.443 -3.141 4.989 1.00 0.00 C ATOM 0 H THR A 119 5.663 -6.094 7.392 1.00 0.00 H new ATOM 0 HA THR A 119 3.621 -4.329 7.327 1.00 0.00 H new ATOM 0 HB THR A 119 5.473 -5.011 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.819 -4.526 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.199 -2.641 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.649 -3.515 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.025 -2.433 5.705 1.00 0.00 H new ATOM 1839 N ARG A 120 3.262 -6.482 4.822 1.00 0.00 N ATOM 1840 CA ARG A 120 2.288 -7.061 3.905 1.00 0.00 C ATOM 1841 C ARG A 120 1.188 -7.791 4.671 1.00 0.00 C ATOM 1842 O ARG A 120 0.018 -7.744 4.290 1.00 0.00 O ATOM 1843 CB ARG A 120 2.976 -8.025 2.937 1.00 0.00 C ATOM 1844 CG ARG A 120 2.287 -8.128 1.587 1.00 0.00 C ATOM 1845 CD ARG A 120 3.117 -8.931 0.597 1.00 0.00 C ATOM 1846 NE ARG A 120 2.874 -10.367 0.718 1.00 0.00 N ATOM 1847 CZ ARG A 120 3.505 -11.148 1.587 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.410 -10.635 2.409 1.00 0.00 N ATOM 1849 NH2 ARG A 120 3.229 -12.445 1.637 1.00 0.00 N ATOM 0 H ARG A 120 4.208 -6.850 4.720 1.00 0.00 H new ATOM 0 HA ARG A 120 1.835 -6.249 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.006 -7.701 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.016 -9.015 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.311 -8.598 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.112 -7.128 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.884 -8.608 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.175 -8.727 0.761 1.00 0.00 H new ATOM 0 HE ARG A 120 2.182 -10.793 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.623 -9.638 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.893 -11.237 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.532 -12.843 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.714 -13.044 2.305 1.00 0.00 H new ATOM 1863 N GLN A 121 1.572 -8.465 5.750 1.00 0.00 N ATOM 1864 CA GLN A 121 0.619 -9.205 6.567 1.00 0.00 C ATOM 1865 C GLN A 121 -0.497 -8.292 7.064 1.00 0.00 C ATOM 1866 O GLN A 121 -1.674 -8.648 7.013 1.00 0.00 O ATOM 1867 CB GLN A 121 1.330 -9.854 7.756 1.00 0.00 C ATOM 1868 CG GLN A 121 2.115 -11.102 7.388 1.00 0.00 C ATOM 1869 CD GLN A 121 1.338 -12.035 6.481 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.126 -12.195 6.628 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.032 -12.655 5.534 1.00 0.00 N ATOM 0 H GLN A 121 2.536 -8.514 6.078 1.00 0.00 H new ATOM 0 HA GLN A 121 0.177 -9.985 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.008 -9.127 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.591 -10.110 8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 121 3.042 -10.811 6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.392 -11.634 8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.035 -12.493 5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.562 -13.293 4.892 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.120 -7.111 7.544 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.100 -6.165 8.043 1.00 0.00 C ATOM 1882 C GLY A 122 -1.362 -5.033 7.070 1.00 0.00 C ATOM 1883 O GLY A 122 -1.715 -3.926 7.475 1.00 0.00 O ATOM 0 H GLY A 122 0.848 -6.793 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.034 -6.688 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.753 -5.753 8.990 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.187 -5.310 5.783 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.405 -4.305 4.748 1.00 0.00 C ATOM 1889 C TRP A 123 -2.810 -4.418 4.167 1.00 0.00 C ATOM 1890 O TRP A 123 -3.641 -3.529 4.353 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.366 -4.455 3.636 1.00 0.00 C ATOM 1892 CG TRP A 123 0.057 -3.147 3.038 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.049 -2.323 3.488 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.501 -2.512 1.883 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.141 -1.214 2.682 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.202 -1.307 1.689 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.525 -2.845 0.992 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.088 -0.436 0.642 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.812 -1.980 -0.047 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.095 -0.787 -0.215 1.00 0.00 C ATOM 0 H TRP A 123 -0.895 -6.222 5.431 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.299 -3.321 5.204 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.511 -4.965 4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.774 -5.090 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.670 -2.515 4.351 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.801 -0.446 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.082 -3.762 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.462 0.484 0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.602 -2.227 -0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.343 -0.132 -1.037 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.068 -5.516 3.464 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.374 -5.743 2.855 1.00 0.00 C ATOM 1913 C GLN A 124 -5.441 -5.962 3.922 1.00 0.00 C ATOM 1914 O GLN A 124 -6.607 -5.618 3.728 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.319 -6.950 1.916 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.442 -6.730 0.694 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.688 -7.980 0.286 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.826 -8.463 -0.838 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.883 -8.511 1.199 1.00 0.00 N ATOM 0 H GLN A 124 -2.391 -6.262 3.302 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.638 -4.856 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.948 -7.813 2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.330 -7.192 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.062 -6.396 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.729 -5.932 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.799 -8.078 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.349 -9.352 0.981 1.00 0.00 H new ATOM 1928 N ARG A 125 -5.034 -6.536 5.050 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.956 -6.802 6.147 1.00 0.00 C ATOM 1930 C ARG A 125 -6.803 -5.571 6.457 1.00 0.00 C ATOM 1931 O ARG A 125 -7.939 -5.686 6.917 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.185 -7.232 7.397 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.974 -8.734 7.496 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.683 -9.162 8.926 1.00 0.00 C ATOM 1935 NE ARG A 125 -4.653 -10.615 9.066 1.00 0.00 N ATOM 1936 CZ ARG A 125 -5.738 -11.381 9.015 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -6.931 -10.835 8.827 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -5.629 -12.697 9.151 1.00 0.00 N ATOM 0 H ARG A 125 -4.072 -6.825 5.228 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.620 -7.611 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.214 -6.736 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.723 -6.890 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.862 -9.252 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.147 -9.030 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.725 -8.747 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.443 -8.749 9.590 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.750 -11.067 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.018 -9.824 8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.762 -11.426 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.712 -13.121 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.462 -13.284 9.112 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.241 -4.394 6.203 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.942 -3.141 6.458 1.00 0.00 C ATOM 1954 C TYR A 126 -7.218 -2.397 5.155 1.00 0.00 C ATOM 1955 O TYR A 126 -8.239 -1.723 5.016 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.124 -2.257 7.400 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.329 -3.035 8.424 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.869 -4.153 9.048 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.038 -2.654 8.767 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.147 -4.867 9.985 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.308 -3.362 9.701 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.867 -4.468 10.308 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.144 -5.177 11.240 1.00 0.00 O ATOM 0 H TYR A 126 -5.302 -4.282 5.821 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.896 -3.377 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.441 -1.646 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.796 -1.573 7.918 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.870 -4.469 8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.597 -1.788 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.583 -5.733 10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.305 -3.052 9.955 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.262 -4.765 11.352 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.301 -2.526 4.202 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.443 -1.865 2.911 1.00 0.00 C ATOM 1975 C TYR A 127 -7.639 -2.420 2.143 1.00 0.00 C ATOM 1976 O TYR A 127 -8.626 -1.720 1.916 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.168 -2.036 2.084 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.268 -0.821 2.100 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.927 -0.200 3.295 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.759 -0.294 0.919 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.106 0.911 3.314 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.936 0.816 0.929 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.613 1.415 2.128 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.794 2.521 2.143 1.00 0.00 O ATOM 0 H TYR A 127 -5.452 -3.082 4.300 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.611 -0.803 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.612 -2.894 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.441 -2.262 1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.310 -0.593 4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.011 -0.760 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.852 1.382 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.548 1.212 0.002 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.145 2.438 2.873 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.543 -3.685 1.746 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.615 -4.337 1.003 1.00 0.00 C ATOM 1996 C PHE A 128 -9.558 -5.077 1.946 1.00 0.00 C ATOM 1997 O PHE A 128 -10.709 -4.679 2.128 1.00 0.00 O ATOM 1998 CB PHE A 128 -8.034 -5.311 -0.024 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.810 -4.789 -0.720 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.545 -3.430 -0.758 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.924 -5.658 -1.337 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.419 -2.946 -1.397 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.797 -5.180 -1.978 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.544 -3.823 -2.009 1.00 0.00 C ATOM 0 H PHE A 128 -6.734 -4.279 1.927 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.182 -3.566 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.787 -6.248 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.796 -5.539 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.226 -2.740 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.117 -6.721 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.223 -1.884 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -4.114 -5.868 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.664 -3.448 -2.510 1.00 0.00 H new ATOM 2014 N GLU A 129 -9.062 -6.156 2.544 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.861 -6.953 3.467 1.00 0.00 C ATOM 2016 C GLU A 129 -10.838 -6.072 4.241 1.00 0.00 C ATOM 2017 O GLU A 129 -11.952 -6.488 4.554 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.954 -7.705 4.443 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.166 -8.832 3.795 1.00 0.00 C ATOM 2020 CD GLU A 129 -9.025 -10.043 3.488 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -10.218 -9.857 3.165 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.506 -11.176 3.570 1.00 0.00 O ATOM 0 H GLU A 129 -8.111 -6.498 2.406 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.432 -7.674 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.258 -6.999 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.562 -8.115 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.713 -8.470 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.351 -9.127 4.456 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.410 -4.851 4.547 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.258 -3.930 5.281 1.00 0.00 C ATOM 2031 C GLY A 130 -12.382 -3.373 4.431 1.00 0.00 C ATOM 2032 O GLY A 130 -13.540 -3.362 4.851 1.00 0.00 O ATOM 0 H GLY A 130 -9.491 -4.483 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.680 -4.441 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.652 -3.107 5.661 1.00 0.00 H new ATOM 2036 N ILE A 131 -12.042 -2.908 3.234 1.00 0.00 N ATOM 2037 CA ILE A 131 -13.033 -2.347 2.323 1.00 0.00 C ATOM 2038 C ILE A 131 -13.913 -3.440 1.727 1.00 0.00 C ATOM 2039 O ILE A 131 -15.137 -3.314 1.688 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.364 -1.560 1.180 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.460 -0.464 1.747 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.419 -0.962 0.262 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.484 0.097 0.736 1.00 0.00 C ATOM 0 H ILE A 131 -11.088 -2.908 2.872 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.651 -1.666 2.908 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.749 -2.246 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.081 0.346 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.903 -0.865 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.931 -0.409 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -14.026 -1.761 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -14.057 -0.287 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.876 0.869 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.838 -0.702 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.034 0.529 -0.100 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.282 -4.513 1.263 1.00 0.00 N ATOM 2056 CA LYS A 132 -14.006 -5.631 0.671 1.00 0.00 C ATOM 2057 C LYS A 132 -15.184 -6.042 1.549 1.00 0.00 C ATOM 2058 O LYS A 132 -16.193 -6.544 1.053 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.068 -6.822 0.466 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.164 -6.684 -0.746 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.120 -7.787 -0.793 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.724 -8.120 -2.223 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.158 -9.492 -2.337 1.00 0.00 N ATOM 0 H LYS A 132 -12.269 -4.632 1.286 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.392 -5.310 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.451 -6.945 1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.664 -7.729 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.766 -6.713 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.668 -5.714 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.238 -7.478 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.511 -8.680 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.596 -8.032 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.991 -7.394 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.027 -9.731 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.240 -9.531 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.811 -10.174 -1.901 1.00 0.00 H new ATOM 2077 N GLN A 133 -15.048 -5.826 2.853 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.102 -6.174 3.798 1.00 0.00 C ATOM 2079 C GLN A 133 -16.913 -4.942 4.187 1.00 0.00 C ATOM 2080 O GLN A 133 -18.144 -4.962 4.161 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.502 -6.819 5.048 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.474 -7.896 4.743 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.082 -9.284 4.683 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.137 -9.994 5.687 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.543 -9.677 3.502 1.00 0.00 N ATOM 0 H GLN A 133 -14.219 -5.412 3.279 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.769 -6.887 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -15.035 -6.045 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.305 -7.253 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.992 -7.673 3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.696 -7.877 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.477 -9.055 2.696 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.964 -10.601 3.400 1.00 0.00 H new ATOM 2094 N THR A 134 -16.216 -3.870 4.548 1.00 0.00 N ATOM 2095 CA THR A 134 -16.871 -2.629 4.944 1.00 0.00 C ATOM 2096 C THR A 134 -17.775 -2.107 3.834 1.00 0.00 C ATOM 2097 O THR A 134 -18.974 -1.912 4.037 1.00 0.00 O ATOM 2098 CB THR A 134 -15.842 -1.542 5.307 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.003 -1.998 6.374 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.539 -0.254 5.718 1.00 0.00 C ATOM 0 H THR A 134 -15.197 -3.836 4.574 1.00 0.00 H new ATOM 0 HA THR A 134 -17.474 -2.856 5.823 1.00 0.00 H new ATOM 0 HB THR A 134 -15.232 -1.342 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.196 -2.411 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.793 0.499 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.154 0.106 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.171 -0.443 6.586 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.194 -1.882 2.660 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.949 -1.381 1.517 1.00 0.00 C ATOM 2110 C PHE A 135 -18.579 -2.531 0.737 1.00 0.00 C ATOM 2111 O PHE A 135 -19.506 -2.328 -0.047 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.039 -0.564 0.598 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.540 0.707 1.224 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.697 0.667 2.324 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.911 1.940 0.714 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.237 1.835 2.903 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.453 3.111 1.288 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.614 3.058 2.383 1.00 0.00 C ATOM 0 H PHE A 135 -16.203 -2.039 2.475 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.746 -0.739 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.185 -1.176 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.582 -0.321 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.397 -0.286 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.566 1.987 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.583 1.791 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.751 4.066 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.253 3.971 2.832 1.00 0.00 H new ATOM 2128 N GLY A 136 -18.069 -3.739 0.957 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.593 -4.903 0.267 1.00 0.00 C ATOM 2130 C GLY A 136 -17.988 -5.080 -1.112 1.00 0.00 C ATOM 2131 O GLY A 136 -18.646 -5.578 -2.026 1.00 0.00 O ATOM 0 H GLY A 136 -17.302 -3.932 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.397 -5.794 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.675 -4.811 0.177 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.734 -4.671 -1.263 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.041 -4.784 -2.541 1.00 0.00 C ATOM 2137 C TYR A 137 -15.214 -6.065 -2.602 1.00 0.00 C ATOM 2138 O TYR A 137 -14.170 -6.113 -3.249 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.139 -3.570 -2.765 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.881 -2.253 -2.752 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.266 -2.213 -2.857 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.198 -1.049 -2.635 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.949 -1.012 -2.846 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.872 0.157 -2.622 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.248 0.170 -2.728 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.923 1.369 -2.717 1.00 0.00 O ATOM 0 H TYR A 137 -16.176 -4.258 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.792 -4.821 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.370 -3.552 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.627 -3.680 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.818 -3.137 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.121 -1.056 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.026 -0.999 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.325 1.084 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.282 2.105 -2.626 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.692 -7.103 -1.921 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.986 -8.371 -1.910 1.00 0.00 C ATOM 2158 C GLY A 138 -15.703 -9.441 -2.709 1.00 0.00 C ATOM 2159 O GLY A 138 -16.847 -9.254 -3.121 1.00 0.00 O ATOM 0 H GLY A 138 -16.555 -7.088 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.984 -8.229 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.868 -8.709 -0.880 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.028 -10.564 -2.929 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.609 -11.668 -3.684 1.00 0.00 C ATOM 2165 C ALA A 139 -15.397 -12.996 -2.965 1.00 0.00 C ATOM 2166 O ALA A 139 -16.356 -13.654 -2.562 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.012 -11.722 -5.083 1.00 0.00 C ATOM 0 H ALA A 139 -14.079 -10.734 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.682 -11.496 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.455 -12.551 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.219 -10.787 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.934 -11.867 -5.013 1.00 0.00 H new ATOM 2173 N SER A 140 -14.136 -13.384 -2.807 1.00 0.00 N ATOM 2174 CA SER A 140 -13.799 -14.636 -2.141 1.00 0.00 C ATOM 2175 C SER A 140 -12.570 -14.465 -1.253 1.00 0.00 C ATOM 2176 O SER A 140 -11.504 -14.066 -1.718 1.00 0.00 O ATOM 2177 CB SER A 140 -13.546 -15.737 -3.173 1.00 0.00 C ATOM 2178 OG SER A 140 -13.871 -17.013 -2.648 1.00 0.00 O ATOM 0 H SER A 140 -13.330 -12.849 -3.131 1.00 0.00 H new ATOM 0 HA SER A 140 -14.643 -14.923 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 140 -14.140 -15.546 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 140 -12.499 -15.721 -3.477 1.00 0.00 H new ATOM 0 HG SER A 140 -13.702 -17.699 -3.327 1.00 0.00 H new ATOM 2184 N GLY A 141 -12.728 -14.772 0.032 1.00 0.00 N ATOM 2185 CA GLY A 141 -11.625 -14.646 0.966 1.00 0.00 C ATOM 2186 C GLY A 141 -10.593 -15.743 0.796 1.00 0.00 C ATOM 2187 O GLY A 141 -10.825 -16.742 0.115 1.00 0.00 O ATOM 0 H GLY A 141 -13.600 -15.106 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.146 -13.676 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.011 -14.670 1.985 1.00 0.00 H new ATOM 2191 N PRO A 142 -9.422 -15.562 1.425 1.00 0.00 N ATOM 2192 CA PRO A 142 -8.327 -16.534 1.354 1.00 0.00 C ATOM 2193 C PRO A 142 -8.558 -17.735 2.266 1.00 0.00 C ATOM 2194 O PRO A 142 -9.346 -17.668 3.209 1.00 0.00 O ATOM 2195 CB PRO A 142 -7.111 -15.733 1.823 1.00 0.00 C ATOM 2196 CG PRO A 142 -7.670 -14.688 2.726 1.00 0.00 C ATOM 2197 CD PRO A 142 -9.078 -14.395 2.255 1.00 0.00 C ATOM 0 HA PRO A 142 -8.218 -16.953 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.397 -16.368 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -6.582 -15.287 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -7.675 -15.035 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.059 -13.786 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -9.765 -14.284 3.094 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.123 -13.469 1.682 1.00 0.00 H new ATOM 2205 N SER A 143 -7.865 -18.832 1.978 1.00 0.00 N ATOM 2206 CA SER A 143 -7.998 -20.049 2.770 1.00 0.00 C ATOM 2207 C SER A 143 -6.628 -20.577 3.188 1.00 0.00 C ATOM 2208 O SER A 143 -6.363 -21.777 3.111 1.00 0.00 O ATOM 2209 CB SER A 143 -8.750 -21.120 1.978 1.00 0.00 C ATOM 2210 OG SER A 143 -8.054 -21.458 0.790 1.00 0.00 O ATOM 0 H SER A 143 -7.206 -18.903 1.203 1.00 0.00 H new ATOM 0 HA SER A 143 -8.566 -19.808 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 143 -8.878 -22.010 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 143 -9.748 -20.759 1.729 1.00 0.00 H new ATOM 0 HG SER A 143 -8.554 -22.146 0.302 1.00 0.00 H new ATOM 2216 N SER A 144 -5.762 -19.672 3.630 1.00 0.00 N ATOM 2217 CA SER A 144 -4.418 -20.044 4.056 1.00 0.00 C ATOM 2218 C SER A 144 -4.046 -19.341 5.358 1.00 0.00 C ATOM 2219 O SER A 144 -4.438 -18.199 5.594 1.00 0.00 O ATOM 2220 CB SER A 144 -3.400 -19.697 2.968 1.00 0.00 C ATOM 2221 OG SER A 144 -3.403 -20.670 1.938 1.00 0.00 O ATOM 0 H SER A 144 -5.967 -18.675 3.703 1.00 0.00 H new ATOM 0 HA SER A 144 -4.404 -21.120 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 144 -3.631 -18.718 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.404 -19.629 3.406 1.00 0.00 H new ATOM 0 HG SER A 144 -2.745 -20.425 1.254 1.00 0.00 H new ATOM 2227 N GLY A 145 -3.287 -20.033 6.202 1.00 0.00 N ATOM 2228 CA GLY A 145 -2.875 -19.461 7.470 1.00 0.00 C ATOM 2229 C GLY A 145 -1.370 -19.471 7.649 1.00 0.00 C ATOM 2230 O GLY A 145 -0.711 -20.473 7.371 1.00 0.00 O ATOM 0 H GLY A 145 -2.950 -20.980 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -3.239 -18.436 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.338 -20.018 8.284 1.00 0.00 H new TER 2234 GLY A 145