USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 29 GLN : amide:sc= -2 K(o=-3.5,f=0.0086) USER MOD Set 1.2: A 92 GLN : amide:sc= -1.47! K(o=-3.5!,f=-2.1) USER MOD Set 2.1: A 41 THR OG1 : rot -42:sc= 0.792 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -177:sc= 0.354 (180deg=0) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -107:sc= 2.34 (180deg=-2.48!) USER MOD Set 3.2: A 52 CYS SG : rot 81:sc= -0.4 USER MOD Set 3.3: A 59 MET CE :methyl 168:sc= -0.38 (180deg=-0.618) USER MOD Set 4.1: A 9 SER OG : rot -167:sc= 2.24 USER MOD Set 4.2: A 45 LYS NZ :NH3+ -132:sc= 0.787! (180deg=-1.81!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.177 (180deg=-0.751) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.905 (180deg=0.904) USER MOD Single : A 2 SER OG : rot 180:sc= -0.239 USER MOD Single : A 4 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.18) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= -0.0102 (180deg=-0.161) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.934 (180deg=0.466) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 1.52 (180deg=1.36) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -1.09 (180deg=-2.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 35 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-4.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -171:sc= -2.38 (180deg=-2.82) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 0.767 K(o=0.77,f=-5.5!) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00773) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 13:sc= -2.96! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.7) USER MOD Single : A 60 ASN : amide:sc= -2.04! C(o=-2!,f=-3.4!) USER MOD Single : A 61 SER OG : rot -150:sc= -0.652 USER MOD Single : A 69 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2!) USER MOD Single : A 74 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -0.441 USER MOD Single : A 82 MET CE :methyl 151:sc= -1.06 (180deg=-3.1) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.8) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0478 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.494 -3.059 -18.383 1.00 0.00 N ATOM 2 CA MET A 1 5.684 -1.714 -18.980 1.00 0.00 C ATOM 3 C MET A 1 6.709 -0.883 -18.196 1.00 0.00 C ATOM 4 O MET A 1 7.444 -0.084 -18.770 1.00 0.00 O ATOM 5 CB MET A 1 4.347 -0.958 -19.063 1.00 0.00 C ATOM 6 CG MET A 1 3.728 -0.628 -17.713 1.00 0.00 C ATOM 7 SD MET A 1 2.201 0.317 -17.853 1.00 0.00 S ATOM 8 CE MET A 1 2.784 1.803 -18.672 1.00 0.00 C ATOM 0 H1 MET A 1 4.807 -3.597 -18.950 1.00 0.00 H new ATOM 0 H2 MET A 1 6.403 -3.564 -18.369 1.00 0.00 H new ATOM 0 H3 MET A 1 5.138 -2.960 -17.411 1.00 0.00 H new ATOM 0 HA MET A 1 6.071 -1.862 -19.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.501 -0.031 -19.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.640 -1.557 -19.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.528 -1.554 -17.175 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.446 -0.063 -17.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.086 2.619 -18.485 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.767 2.070 -18.285 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.853 1.624 -19.745 1.00 0.00 H new ATOM 18 N SER A 2 6.769 -1.082 -16.881 1.00 0.00 N ATOM 19 CA SER A 2 7.678 -0.312 -16.004 1.00 0.00 C ATOM 20 C SER A 2 7.876 -1.067 -14.689 1.00 0.00 C ATOM 21 O SER A 2 8.392 -0.540 -13.707 1.00 0.00 O ATOM 22 CB SER A 2 7.091 1.083 -15.714 1.00 0.00 C ATOM 23 OG SER A 2 6.835 1.799 -16.914 1.00 0.00 O ATOM 0 H SER A 2 6.200 -1.771 -16.388 1.00 0.00 H new ATOM 0 HA SER A 2 8.637 -0.191 -16.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.166 0.979 -15.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.785 1.649 -15.092 1.00 0.00 H new ATOM 0 HG SER A 2 6.462 2.679 -16.697 1.00 0.00 H new ATOM 29 N ASP A 3 7.482 -2.316 -14.705 1.00 0.00 N ATOM 30 CA ASP A 3 7.495 -3.182 -13.546 1.00 0.00 C ATOM 31 C ASP A 3 8.612 -4.195 -13.672 1.00 0.00 C ATOM 32 O ASP A 3 8.821 -5.036 -12.806 1.00 0.00 O ATOM 33 CB ASP A 3 6.143 -3.887 -13.459 1.00 0.00 C ATOM 34 CG ASP A 3 5.665 -4.342 -14.829 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.210 -3.474 -15.632 1.00 0.00 O ATOM 36 OD2 ASP A 3 5.781 -5.537 -15.138 1.00 0.00 O ATOM 0 H ASP A 3 7.133 -2.774 -15.547 1.00 0.00 H new ATOM 0 HA ASP A 3 7.666 -2.599 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.222 -4.748 -12.795 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.407 -3.213 -13.021 1.00 0.00 H new ATOM 41 N GLN A 4 9.338 -4.099 -14.769 1.00 0.00 N ATOM 42 CA GLN A 4 10.465 -4.972 -15.047 1.00 0.00 C ATOM 43 C GLN A 4 11.625 -4.655 -14.116 1.00 0.00 C ATOM 44 O GLN A 4 12.552 -5.445 -13.955 1.00 0.00 O ATOM 45 CB GLN A 4 10.890 -4.795 -16.502 1.00 0.00 C ATOM 46 CG GLN A 4 11.301 -3.367 -16.852 1.00 0.00 C ATOM 47 CD GLN A 4 11.056 -3.005 -18.309 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.828 -2.255 -18.908 1.00 0.00 O ATOM 49 NE2 GLN A 4 9.955 -3.472 -18.864 1.00 0.00 N ATOM 0 H GLN A 4 9.162 -3.408 -15.499 1.00 0.00 H new ATOM 0 HA GLN A 4 10.168 -6.007 -14.879 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.724 -5.465 -16.712 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.068 -5.096 -17.151 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.751 -2.673 -16.216 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.359 -3.236 -16.626 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.340 -4.091 -18.335 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.718 -3.214 -19.822 1.00 0.00 H new ATOM 58 N GLU A 5 11.566 -3.494 -13.500 1.00 0.00 N ATOM 59 CA GLU A 5 12.597 -3.060 -12.597 1.00 0.00 C ATOM 60 C GLU A 5 12.052 -2.952 -11.183 1.00 0.00 C ATOM 61 O GLU A 5 10.876 -2.643 -10.970 1.00 0.00 O ATOM 62 CB GLU A 5 13.157 -1.704 -13.034 1.00 0.00 C ATOM 63 CG GLU A 5 12.124 -0.590 -13.017 1.00 0.00 C ATOM 64 CD GLU A 5 12.714 0.771 -13.301 1.00 0.00 C ATOM 65 OE1 GLU A 5 12.877 1.118 -14.487 1.00 0.00 O ATOM 66 OE2 GLU A 5 13.006 1.506 -12.339 1.00 0.00 O ATOM 0 H GLU A 5 10.801 -2.829 -13.614 1.00 0.00 H new ATOM 0 HA GLU A 5 13.398 -3.799 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.984 -1.432 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.565 -1.795 -14.040 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.353 -0.806 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.635 -0.571 -12.043 1.00 0.00 H new ATOM 73 N ALA A 6 12.896 -3.229 -10.230 1.00 0.00 N ATOM 74 CA ALA A 6 12.571 -3.093 -8.832 1.00 0.00 C ATOM 75 C ALA A 6 13.776 -2.560 -8.121 1.00 0.00 C ATOM 76 O ALA A 6 14.874 -3.092 -8.263 1.00 0.00 O ATOM 77 CB ALA A 6 12.150 -4.417 -8.236 1.00 0.00 C ATOM 0 H ALA A 6 13.845 -3.561 -10.402 1.00 0.00 H new ATOM 0 HA ALA A 6 11.731 -2.407 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.911 -4.282 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.271 -4.790 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.964 -5.136 -8.335 1.00 0.00 H new ATOM 83 N LYS A 7 13.600 -1.511 -7.369 1.00 0.00 N ATOM 84 CA LYS A 7 14.716 -0.883 -6.707 1.00 0.00 C ATOM 85 C LYS A 7 14.475 -0.811 -5.215 1.00 0.00 C ATOM 86 O LYS A 7 13.328 -0.815 -4.765 1.00 0.00 O ATOM 87 CB LYS A 7 14.936 0.530 -7.265 1.00 0.00 C ATOM 88 CG LYS A 7 15.092 0.597 -8.785 1.00 0.00 C ATOM 89 CD LYS A 7 16.327 -0.152 -9.274 1.00 0.00 C ATOM 90 CE LYS A 7 17.614 0.442 -8.712 1.00 0.00 C ATOM 91 NZ LYS A 7 17.785 1.869 -9.091 1.00 0.00 N ATOM 0 H LYS A 7 12.696 -1.070 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 7 15.607 -1.483 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.095 1.158 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.827 0.955 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.204 0.177 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.156 1.640 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.254 -1.200 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.360 -0.125 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.609 0.354 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.466 -0.133 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.748 2.179 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.631 1.977 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.096 2.451 -8.573 1.00 0.00 H new ATOM 105 N PRO A 8 15.550 -0.769 -4.421 1.00 0.00 N ATOM 106 CA PRO A 8 15.439 -0.638 -2.985 1.00 0.00 C ATOM 107 C PRO A 8 15.121 0.802 -2.600 1.00 0.00 C ATOM 108 O PRO A 8 15.980 1.698 -2.671 1.00 0.00 O ATOM 109 CB PRO A 8 16.817 -1.056 -2.471 1.00 0.00 C ATOM 110 CG PRO A 8 17.755 -0.772 -3.598 1.00 0.00 C ATOM 111 CD PRO A 8 16.953 -0.850 -4.872 1.00 0.00 C ATOM 0 HA PRO A 8 14.637 -1.244 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.092 -0.494 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.833 -2.112 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.205 0.215 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.571 -1.495 -3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.201 -0.033 -5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.146 -1.779 -5.408 1.00 0.00 H new ATOM 119 N SER A 9 13.891 1.037 -2.216 1.00 0.00 N ATOM 120 CA SER A 9 13.455 2.359 -1.874 1.00 0.00 C ATOM 121 C SER A 9 13.825 2.696 -0.438 1.00 0.00 C ATOM 122 O SER A 9 13.111 2.360 0.506 1.00 0.00 O ATOM 123 CB SER A 9 11.952 2.511 -2.119 1.00 0.00 C ATOM 124 OG SER A 9 11.224 1.418 -1.574 1.00 0.00 O ATOM 0 H SER A 9 13.171 0.319 -2.133 1.00 0.00 H new ATOM 0 HA SER A 9 13.969 3.071 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.602 3.442 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.762 2.579 -3.190 1.00 0.00 H new ATOM 0 HG SER A 9 10.304 1.436 -1.912 1.00 0.00 H new ATOM 130 N THR A 10 14.961 3.325 -0.270 1.00 0.00 N ATOM 131 CA THR A 10 15.420 3.706 1.033 1.00 0.00 C ATOM 132 C THR A 10 15.014 5.135 1.339 1.00 0.00 C ATOM 133 O THR A 10 15.005 5.998 0.454 1.00 0.00 O ATOM 134 CB THR A 10 16.947 3.568 1.138 1.00 0.00 C ATOM 135 OG1 THR A 10 17.565 4.212 0.014 1.00 0.00 O ATOM 136 CG2 THR A 10 17.353 2.100 1.174 1.00 0.00 C ATOM 0 H THR A 10 15.588 3.584 -1.032 1.00 0.00 H new ATOM 0 HA THR A 10 14.958 3.038 1.761 1.00 0.00 H new ATOM 0 HB THR A 10 17.278 4.042 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.539 4.125 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.438 2.024 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 10 16.895 1.617 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.017 1.607 0.262 1.00 0.00 H new ATOM 144 N GLU A 11 14.651 5.384 2.573 1.00 0.00 N ATOM 145 CA GLU A 11 14.268 6.704 3.006 1.00 0.00 C ATOM 146 C GLU A 11 14.860 6.953 4.381 1.00 0.00 C ATOM 147 O GLU A 11 14.294 6.560 5.405 1.00 0.00 O ATOM 148 CB GLU A 11 12.744 6.836 3.021 1.00 0.00 C ATOM 149 CG GLU A 11 12.253 8.268 3.050 1.00 0.00 C ATOM 150 CD GLU A 11 10.762 8.368 2.791 1.00 0.00 C ATOM 151 OE1 GLU A 11 10.308 7.904 1.724 1.00 0.00 O ATOM 152 OE2 GLU A 11 10.036 8.908 3.651 1.00 0.00 O ATOM 0 H GLU A 11 14.613 4.676 3.306 1.00 0.00 H new ATOM 0 HA GLU A 11 14.651 7.453 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.337 6.341 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.352 6.310 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.482 8.709 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.790 8.850 2.301 1.00 0.00 H new ATOM 159 N ASP A 12 16.012 7.588 4.404 1.00 0.00 N ATOM 160 CA ASP A 12 16.773 7.779 5.642 1.00 0.00 C ATOM 161 C ASP A 12 16.395 9.071 6.341 1.00 0.00 C ATOM 162 O ASP A 12 17.077 9.517 7.266 1.00 0.00 O ATOM 163 CB ASP A 12 18.275 7.753 5.350 1.00 0.00 C ATOM 164 CG ASP A 12 18.715 6.478 4.652 1.00 0.00 C ATOM 165 OD1 ASP A 12 18.691 5.405 5.288 1.00 0.00 O ATOM 166 OD2 ASP A 12 19.089 6.550 3.460 1.00 0.00 O ATOM 0 H ASP A 12 16.454 7.988 3.576 1.00 0.00 H new ATOM 0 HA ASP A 12 16.524 6.957 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.535 8.610 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.825 7.858 6.285 1.00 0.00 H new ATOM 171 N LEU A 13 15.311 9.676 5.877 1.00 0.00 N ATOM 172 CA LEU A 13 14.780 10.898 6.480 1.00 0.00 C ATOM 173 C LEU A 13 14.682 10.760 7.993 1.00 0.00 C ATOM 174 O LEU A 13 15.207 11.588 8.743 1.00 0.00 O ATOM 175 CB LEU A 13 13.408 11.240 5.910 1.00 0.00 C ATOM 176 CG LEU A 13 13.371 11.633 4.440 1.00 0.00 C ATOM 177 CD1 LEU A 13 11.975 12.071 4.056 1.00 0.00 C ATOM 178 CD2 LEU A 13 14.377 12.737 4.153 1.00 0.00 C ATOM 0 H LEU A 13 14.775 9.339 5.077 1.00 0.00 H new ATOM 0 HA LEU A 13 15.472 11.706 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.754 10.380 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.988 12.059 6.494 1.00 0.00 H new ATOM 0 HG LEU A 13 13.643 10.765 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.958 12.350 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.277 11.251 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.683 12.928 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.334 13.003 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.139 13.612 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.380 12.388 4.399 1.00 0.00 H new ATOM 190 N GLY A 14 13.996 9.720 8.446 1.00 0.00 N ATOM 191 CA GLY A 14 13.861 9.471 9.871 1.00 0.00 C ATOM 192 C GLY A 14 12.790 10.325 10.514 1.00 0.00 C ATOM 193 O GLY A 14 12.097 9.887 11.433 1.00 0.00 O ATOM 0 H GLY A 14 13.527 9.039 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.626 8.419 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.816 9.662 10.361 1.00 0.00 H new ATOM 197 N ASP A 15 12.645 11.545 10.028 1.00 0.00 N ATOM 198 CA ASP A 15 11.662 12.471 10.555 1.00 0.00 C ATOM 199 C ASP A 15 10.286 12.117 10.068 1.00 0.00 C ATOM 200 O ASP A 15 9.937 12.354 8.907 1.00 0.00 O ATOM 201 CB ASP A 15 12.006 13.905 10.167 1.00 0.00 C ATOM 202 CG ASP A 15 10.917 14.895 10.542 1.00 0.00 C ATOM 203 OD1 ASP A 15 10.845 15.289 11.724 1.00 0.00 O ATOM 204 OD2 ASP A 15 10.137 15.291 9.651 1.00 0.00 O ATOM 0 H ASP A 15 13.203 11.919 9.261 1.00 0.00 H new ATOM 0 HA ASP A 15 11.676 12.395 11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.937 14.195 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.180 13.954 9.092 1.00 0.00 H new ATOM 209 N LYS A 16 9.508 11.523 10.945 1.00 0.00 N ATOM 210 CA LYS A 16 8.165 11.110 10.623 1.00 0.00 C ATOM 211 C LYS A 16 7.283 11.164 11.834 1.00 0.00 C ATOM 212 O LYS A 16 7.710 10.876 12.957 1.00 0.00 O ATOM 213 CB LYS A 16 8.153 9.702 10.044 1.00 0.00 C ATOM 214 CG LYS A 16 8.723 9.624 8.656 1.00 0.00 C ATOM 215 CD LYS A 16 8.815 8.210 8.173 1.00 0.00 C ATOM 216 CE LYS A 16 9.406 8.165 6.785 1.00 0.00 C ATOM 217 NZ LYS A 16 8.635 8.991 5.822 1.00 0.00 N ATOM 0 H LYS A 16 9.791 11.313 11.902 1.00 0.00 H new ATOM 0 HA LYS A 16 7.779 11.802 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.721 9.042 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.128 9.332 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.099 10.202 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.714 10.078 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.431 7.625 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.824 7.756 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.437 8.517 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.433 7.133 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.946 8.775 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.621 8.778 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.797 9.999 6.021 1.00 0.00 H new ATOM 231 N LYS A 17 6.058 11.529 11.613 1.00 0.00 N ATOM 232 CA LYS A 17 5.091 11.613 12.641 1.00 0.00 C ATOM 233 C LYS A 17 3.765 11.126 12.087 1.00 0.00 C ATOM 234 O LYS A 17 3.602 11.020 10.867 1.00 0.00 O ATOM 235 CB LYS A 17 4.988 13.048 13.125 1.00 0.00 C ATOM 236 CG LYS A 17 4.173 13.195 14.367 1.00 0.00 C ATOM 237 CD LYS A 17 4.238 14.603 14.917 1.00 0.00 C ATOM 238 CE LYS A 17 3.506 14.709 16.236 1.00 0.00 C ATOM 239 NZ LYS A 17 3.636 16.063 16.830 1.00 0.00 N ATOM 0 H LYS A 17 5.704 11.780 10.690 1.00 0.00 H new ATOM 0 HA LYS A 17 5.374 10.992 13.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.990 13.435 13.308 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.550 13.660 12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.136 12.935 14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.529 12.493 15.121 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.279 14.896 15.051 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.802 15.297 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.451 14.477 16.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.900 13.968 16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.121 16.097 17.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.641 16.274 16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.237 16.768 16.178 1.00 0.00 H new ATOM 253 N GLU A 18 2.807 10.854 12.950 1.00 0.00 N ATOM 254 CA GLU A 18 1.533 10.322 12.525 1.00 0.00 C ATOM 255 C GLU A 18 0.414 10.868 13.382 1.00 0.00 C ATOM 256 O GLU A 18 0.007 10.261 14.370 1.00 0.00 O ATOM 257 CB GLU A 18 1.523 8.802 12.570 1.00 0.00 C ATOM 258 CG GLU A 18 2.501 8.155 11.606 1.00 0.00 C ATOM 259 CD GLU A 18 2.479 6.650 11.665 1.00 0.00 C ATOM 260 OE1 GLU A 18 3.081 6.080 12.593 1.00 0.00 O ATOM 261 OE2 GLU A 18 1.867 6.023 10.777 1.00 0.00 O ATOM 0 H GLU A 18 2.890 10.995 13.957 1.00 0.00 H new ATOM 0 HA GLU A 18 1.376 10.635 11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.757 8.476 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.517 8.448 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.268 8.477 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.508 8.507 11.829 1.00 0.00 H new ATOM 268 N GLY A 19 -0.038 12.038 13.038 1.00 0.00 N ATOM 269 CA GLY A 19 -1.150 12.631 13.734 1.00 0.00 C ATOM 270 C GLY A 19 -2.369 12.706 12.854 1.00 0.00 C ATOM 271 O GLY A 19 -3.252 11.847 12.917 1.00 0.00 O ATOM 0 H GLY A 19 0.344 12.604 12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.378 12.046 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.879 13.632 14.070 1.00 0.00 H new ATOM 275 N GLU A 20 -2.449 13.735 12.044 1.00 0.00 N ATOM 276 CA GLU A 20 -3.535 13.878 11.102 1.00 0.00 C ATOM 277 C GLU A 20 -3.272 13.070 9.844 1.00 0.00 C ATOM 278 O GLU A 20 -2.998 13.616 8.778 1.00 0.00 O ATOM 279 CB GLU A 20 -3.731 15.348 10.758 1.00 0.00 C ATOM 280 CG GLU A 20 -4.042 16.215 11.965 1.00 0.00 C ATOM 281 CD GLU A 20 -5.272 15.745 12.708 1.00 0.00 C ATOM 282 OE1 GLU A 20 -5.143 14.900 13.617 1.00 0.00 O ATOM 283 OE2 GLU A 20 -6.378 16.209 12.384 1.00 0.00 O ATOM 0 H GLU A 20 -1.767 14.493 12.019 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.446 13.495 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.830 15.723 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.542 15.439 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.188 16.211 12.642 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.188 17.246 11.641 1.00 0.00 H new ATOM 290 N TYR A 21 -3.309 11.770 9.981 1.00 0.00 N ATOM 291 CA TYR A 21 -3.117 10.874 8.851 1.00 0.00 C ATOM 292 C TYR A 21 -4.440 10.271 8.407 1.00 0.00 C ATOM 293 O TYR A 21 -5.488 10.515 9.013 1.00 0.00 O ATOM 294 CB TYR A 21 -2.106 9.772 9.184 1.00 0.00 C ATOM 295 CG TYR A 21 -2.417 9.009 10.443 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.982 9.474 11.662 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.140 7.824 10.412 1.00 0.00 C ATOM 298 CE1 TYR A 21 -2.249 8.796 12.826 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.414 7.132 11.573 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.964 7.623 12.780 1.00 0.00 C ATOM 301 OH TYR A 21 -3.232 6.937 13.942 1.00 0.00 O ATOM 0 H TYR A 21 -3.471 11.297 10.870 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.715 11.462 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.061 9.072 8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.116 10.219 9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.417 10.394 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.492 7.439 9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.899 9.182 13.772 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.977 6.211 11.537 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.748 6.130 13.734 1.00 0.00 H new ATOM 311 N ILE A 22 -4.396 9.472 7.364 1.00 0.00 N ATOM 312 CA ILE A 22 -5.586 8.881 6.797 1.00 0.00 C ATOM 313 C ILE A 22 -5.458 7.368 6.757 1.00 0.00 C ATOM 314 O ILE A 22 -4.405 6.810 7.050 1.00 0.00 O ATOM 315 CB ILE A 22 -5.857 9.415 5.372 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.788 8.912 4.405 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.897 10.940 5.379 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.966 9.396 2.980 1.00 0.00 C ATOM 0 H ILE A 22 -3.533 9.214 6.885 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.426 9.158 7.434 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.826 9.045 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.809 9.229 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.792 7.822 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.089 11.304 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.691 11.280 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.940 11.327 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.167 8.995 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.929 9.057 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.931 10.485 2.959 1.00 0.00 H new ATOM 330 N LYS A 23 -6.524 6.702 6.413 1.00 0.00 N ATOM 331 CA LYS A 23 -6.518 5.253 6.348 1.00 0.00 C ATOM 332 C LYS A 23 -6.784 4.827 4.924 1.00 0.00 C ATOM 333 O LYS A 23 -7.533 5.474 4.229 1.00 0.00 O ATOM 334 CB LYS A 23 -7.598 4.654 7.272 1.00 0.00 C ATOM 335 CG LYS A 23 -7.698 5.300 8.659 1.00 0.00 C ATOM 336 CD LYS A 23 -8.681 6.485 8.682 1.00 0.00 C ATOM 337 CE LYS A 23 -10.118 6.043 8.376 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.106 7.142 8.570 1.00 0.00 N ATOM 0 H LYS A 23 -7.416 7.134 6.171 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.545 4.890 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.566 4.740 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.398 3.590 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.018 4.551 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.711 5.643 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.649 6.964 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.367 7.231 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.174 5.686 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.382 5.204 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.958 6.947 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.363 7.204 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.687 8.043 8.263 1.00 0.00 H new ATOM 352 N LEU A 24 -6.150 3.777 4.467 1.00 0.00 N ATOM 353 CA LEU A 24 -6.418 3.278 3.126 1.00 0.00 C ATOM 354 C LEU A 24 -6.560 1.775 3.130 1.00 0.00 C ATOM 355 O LEU A 24 -6.138 1.092 4.076 1.00 0.00 O ATOM 356 CB LEU A 24 -5.342 3.709 2.117 1.00 0.00 C ATOM 357 CG LEU A 24 -5.269 5.203 1.801 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.303 5.897 2.734 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.875 5.430 0.350 1.00 0.00 C ATOM 0 H LEU A 24 -5.451 3.250 4.990 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.361 3.722 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.371 3.392 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.512 3.170 1.185 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.259 5.633 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.265 6.959 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.637 5.770 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.310 5.463 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.830 6.500 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.898 4.984 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.615 4.969 -0.304 1.00 0.00 H new ATOM 371 N LYS A 25 -7.153 1.247 2.083 1.00 0.00 N ATOM 372 CA LYS A 25 -7.375 -0.171 1.980 1.00 0.00 C ATOM 373 C LYS A 25 -6.968 -0.690 0.621 1.00 0.00 C ATOM 374 O LYS A 25 -7.126 -0.019 -0.392 1.00 0.00 O ATOM 375 CB LYS A 25 -8.839 -0.492 2.258 1.00 0.00 C ATOM 376 CG LYS A 25 -9.163 -1.977 2.283 1.00 0.00 C ATOM 377 CD LYS A 25 -9.935 -2.425 1.056 1.00 0.00 C ATOM 378 CE LYS A 25 -11.279 -1.704 0.948 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.130 -2.241 -0.144 1.00 0.00 N ATOM 0 H LYS A 25 -7.491 1.787 1.286 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.755 -0.669 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.118 -0.056 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.454 -0.011 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.236 -2.546 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.744 -2.204 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.343 -2.231 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.101 -3.501 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.811 -1.792 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.104 -0.642 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.818 -1.518 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.532 -2.498 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.636 -3.084 0.193 1.00 0.00 H new ATOM 393 N VAL A 26 -6.433 -1.881 0.603 1.00 0.00 N ATOM 394 CA VAL A 26 -6.017 -2.516 -0.623 1.00 0.00 C ATOM 395 C VAL A 26 -6.791 -3.792 -0.838 1.00 0.00 C ATOM 396 O VAL A 26 -7.052 -4.536 0.108 1.00 0.00 O ATOM 397 CB VAL A 26 -4.484 -2.815 -0.606 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.158 -4.165 -1.241 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.733 -1.715 -1.323 1.00 0.00 C ATOM 0 H VAL A 26 -6.272 -2.442 1.440 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.223 -1.832 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.170 -2.855 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.081 -4.332 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.665 -4.958 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.494 -4.170 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.665 -1.933 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.074 -1.655 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.918 -0.764 -0.824 1.00 0.00 H new ATOM 409 N ILE A 27 -7.194 -4.041 -2.067 1.00 0.00 N ATOM 410 CA ILE A 27 -7.846 -5.282 -2.391 1.00 0.00 C ATOM 411 C ILE A 27 -6.893 -6.129 -3.180 1.00 0.00 C ATOM 412 O ILE A 27 -6.680 -5.900 -4.385 1.00 0.00 O ATOM 413 CB ILE A 27 -9.144 -5.090 -3.208 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.182 -4.323 -2.395 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.705 -6.447 -3.642 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.646 -5.058 -1.160 1.00 0.00 C ATOM 0 H ILE A 27 -7.080 -3.400 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.128 -5.759 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.907 -4.509 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.762 -3.362 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.044 -4.113 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.619 -6.296 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.970 -6.964 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.926 -7.048 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.383 -4.453 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.096 -6.008 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.794 -5.245 -0.506 1.00 0.00 H new ATOM 428 N GLY A 28 -6.248 -7.065 -2.510 1.00 0.00 N ATOM 429 CA GLY A 28 -5.351 -7.937 -3.182 1.00 0.00 C ATOM 430 C GLY A 28 -6.047 -8.903 -4.092 1.00 0.00 C ATOM 431 O GLY A 28 -7.248 -9.137 -3.981 1.00 0.00 O ATOM 0 H GLY A 28 -6.339 -7.227 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.643 -7.345 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.772 -8.493 -2.445 1.00 0.00 H new ATOM 435 N GLN A 29 -5.286 -9.463 -4.994 1.00 0.00 N ATOM 436 CA GLN A 29 -5.752 -10.471 -5.925 1.00 0.00 C ATOM 437 C GLN A 29 -6.404 -11.659 -5.207 1.00 0.00 C ATOM 438 O GLN A 29 -7.291 -12.320 -5.742 1.00 0.00 O ATOM 439 CB GLN A 29 -4.587 -10.950 -6.807 1.00 0.00 C ATOM 440 CG GLN A 29 -3.165 -10.662 -6.259 1.00 0.00 C ATOM 441 CD GLN A 29 -2.848 -11.317 -4.899 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.459 -12.468 -4.836 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.942 -10.556 -3.814 1.00 0.00 N ATOM 0 H GLN A 29 -4.300 -9.229 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.517 -10.014 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.688 -12.025 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.681 -10.481 -7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.433 -11.005 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.039 -9.583 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.271 -9.594 -3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.685 -10.934 -2.902 1.00 0.00 H new ATOM 452 N ASP A 30 -5.970 -11.917 -3.989 1.00 0.00 N ATOM 453 CA ASP A 30 -6.502 -13.012 -3.177 1.00 0.00 C ATOM 454 C ASP A 30 -7.716 -12.535 -2.366 1.00 0.00 C ATOM 455 O ASP A 30 -8.157 -13.197 -1.430 1.00 0.00 O ATOM 456 CB ASP A 30 -5.394 -13.525 -2.238 1.00 0.00 C ATOM 457 CG ASP A 30 -5.748 -14.815 -1.514 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.754 -15.881 -2.159 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.993 -14.772 -0.290 1.00 0.00 O ATOM 0 H ASP A 30 -5.238 -11.377 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.829 -13.823 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.484 -13.683 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.172 -12.755 -1.500 1.00 0.00 H new ATOM 464 N SER A 31 -8.260 -11.369 -2.748 1.00 0.00 N ATOM 465 CA SER A 31 -9.393 -10.740 -2.054 1.00 0.00 C ATOM 466 C SER A 31 -8.972 -10.276 -0.664 1.00 0.00 C ATOM 467 O SER A 31 -9.801 -9.959 0.194 1.00 0.00 O ATOM 468 CB SER A 31 -10.597 -11.689 -1.970 1.00 0.00 C ATOM 469 OG SER A 31 -11.046 -12.059 -3.267 1.00 0.00 O ATOM 0 H SER A 31 -7.925 -10.835 -3.550 1.00 0.00 H new ATOM 0 HA SER A 31 -9.701 -9.870 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.322 -12.582 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.408 -11.206 -1.425 1.00 0.00 H new ATOM 0 HG SER A 31 -11.812 -12.665 -3.187 1.00 0.00 H new ATOM 475 N SER A 32 -7.670 -10.235 -0.455 1.00 0.00 N ATOM 476 CA SER A 32 -7.099 -9.828 0.800 1.00 0.00 C ATOM 477 C SER A 32 -7.246 -8.326 0.987 1.00 0.00 C ATOM 478 O SER A 32 -6.525 -7.533 0.373 1.00 0.00 O ATOM 479 CB SER A 32 -5.621 -10.231 0.855 1.00 0.00 C ATOM 480 OG SER A 32 -5.180 -10.385 2.195 1.00 0.00 O ATOM 0 H SER A 32 -6.979 -10.487 -1.162 1.00 0.00 H new ATOM 0 HA SER A 32 -7.632 -10.328 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.476 -11.165 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.016 -9.474 0.355 1.00 0.00 H new ATOM 0 HG SER A 32 -4.235 -10.644 2.201 1.00 0.00 H new ATOM 486 N GLU A 33 -8.220 -7.934 1.788 1.00 0.00 N ATOM 487 CA GLU A 33 -8.442 -6.541 2.097 1.00 0.00 C ATOM 488 C GLU A 33 -7.457 -6.103 3.158 1.00 0.00 C ATOM 489 O GLU A 33 -7.608 -6.426 4.336 1.00 0.00 O ATOM 490 CB GLU A 33 -9.853 -6.339 2.620 1.00 0.00 C ATOM 491 CG GLU A 33 -10.935 -6.947 1.749 1.00 0.00 C ATOM 492 CD GLU A 33 -12.260 -7.052 2.466 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.824 -6.005 2.848 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.736 -8.181 2.670 1.00 0.00 O ATOM 0 H GLU A 33 -8.875 -8.573 2.239 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.307 -5.951 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.923 -6.769 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.041 -5.270 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.058 -6.341 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.621 -7.939 1.424 1.00 0.00 H new ATOM 501 N ILE A 34 -6.449 -5.387 2.758 1.00 0.00 N ATOM 502 CA ILE A 34 -5.443 -4.940 3.688 1.00 0.00 C ATOM 503 C ILE A 34 -5.752 -3.519 4.112 1.00 0.00 C ATOM 504 O ILE A 34 -6.023 -2.661 3.275 1.00 0.00 O ATOM 505 CB ILE A 34 -4.027 -4.988 3.058 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.787 -6.337 2.353 1.00 0.00 C ATOM 507 CG2 ILE A 34 -2.962 -4.754 4.129 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.811 -7.534 3.282 1.00 0.00 C ATOM 0 H ILE A 34 -6.297 -5.097 1.792 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.455 -5.607 4.550 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.957 -4.195 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.547 -6.473 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.823 -6.303 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.973 -4.790 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.115 -3.777 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.038 -5.528 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.634 -8.444 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.033 -7.424 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.784 -7.596 3.770 1.00 0.00 H new ATOM 520 N HIS A 35 -5.737 -3.263 5.407 1.00 0.00 N ATOM 521 CA HIS A 35 -6.041 -1.940 5.922 1.00 0.00 C ATOM 522 C HIS A 35 -4.826 -1.371 6.604 1.00 0.00 C ATOM 523 O HIS A 35 -4.272 -1.974 7.524 1.00 0.00 O ATOM 524 CB HIS A 35 -7.224 -1.974 6.899 1.00 0.00 C ATOM 525 CG HIS A 35 -8.554 -2.231 6.253 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.688 -1.515 6.559 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.933 -3.146 5.331 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.702 -1.978 5.860 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.274 -2.969 5.109 1.00 0.00 N ATOM 0 H HIS A 35 -5.517 -3.955 6.123 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.322 -1.305 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.041 -2.747 7.646 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.269 -1.023 7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.297 -3.880 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.715 -1.607 5.897 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.846 -3.516 4.466 1.00 0.00 H new ATOM 538 N PHE A 36 -4.411 -0.221 6.160 1.00 0.00 N ATOM 539 CA PHE A 36 -3.220 0.416 6.680 1.00 0.00 C ATOM 540 C PHE A 36 -3.445 1.911 6.867 1.00 0.00 C ATOM 541 O PHE A 36 -4.203 2.543 6.126 1.00 0.00 O ATOM 542 CB PHE A 36 -2.037 0.155 5.733 1.00 0.00 C ATOM 543 CG PHE A 36 -2.462 0.057 4.308 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.783 1.185 3.589 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.568 -1.177 3.696 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.199 1.084 2.281 1.00 0.00 C ATOM 547 CE2 PHE A 36 -2.986 -1.281 2.395 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.302 -0.148 1.688 1.00 0.00 C ATOM 0 H PHE A 36 -4.883 0.308 5.427 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.989 -0.010 7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.307 0.958 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.538 -0.769 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.708 2.157 4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.319 -2.070 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.444 1.975 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.066 -2.251 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.632 -0.227 0.663 1.00 0.00 H new ATOM 558 N LYS A 37 -2.805 2.468 7.867 1.00 0.00 N ATOM 559 CA LYS A 37 -2.939 3.879 8.168 1.00 0.00 C ATOM 560 C LYS A 37 -1.658 4.631 7.840 1.00 0.00 C ATOM 561 O LYS A 37 -0.598 4.361 8.409 1.00 0.00 O ATOM 562 CB LYS A 37 -3.321 4.066 9.633 1.00 0.00 C ATOM 563 CG LYS A 37 -4.635 3.393 9.993 1.00 0.00 C ATOM 564 CD LYS A 37 -5.007 3.616 11.443 1.00 0.00 C ATOM 565 CE LYS A 37 -6.343 2.977 11.764 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.764 3.245 13.160 1.00 0.00 N ATOM 0 H LYS A 37 -2.179 1.962 8.494 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.732 4.293 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.528 3.664 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.393 5.132 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.428 3.779 9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.560 2.323 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.235 3.198 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.052 4.685 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.100 3.355 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.278 1.901 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.682 2.791 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.054 2.862 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.851 4.271 13.305 1.00 0.00 H new ATOM 580 N VAL A 38 -1.750 5.571 6.909 1.00 0.00 N ATOM 581 CA VAL A 38 -0.592 6.346 6.473 1.00 0.00 C ATOM 582 C VAL A 38 -0.963 7.819 6.329 1.00 0.00 C ATOM 583 O VAL A 38 -2.136 8.177 6.335 1.00 0.00 O ATOM 584 CB VAL A 38 -0.020 5.829 5.118 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.371 4.362 5.214 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.019 6.036 3.990 1.00 0.00 C ATOM 0 H VAL A 38 -2.620 5.818 6.437 1.00 0.00 H new ATOM 0 HA VAL A 38 0.177 6.228 7.237 1.00 0.00 H new ATOM 0 HB VAL A 38 0.876 6.409 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.767 4.027 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.132 4.238 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.506 3.768 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.595 5.667 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.937 5.491 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.242 7.098 3.892 1.00 0.00 H new ATOM 596 N LYS A 39 0.025 8.681 6.199 1.00 0.00 N ATOM 597 CA LYS A 39 -0.242 10.099 6.062 1.00 0.00 C ATOM 598 C LYS A 39 -0.381 10.484 4.584 1.00 0.00 C ATOM 599 O LYS A 39 0.095 9.776 3.700 1.00 0.00 O ATOM 600 CB LYS A 39 0.856 10.921 6.730 1.00 0.00 C ATOM 601 CG LYS A 39 0.504 12.383 6.866 1.00 0.00 C ATOM 602 CD LYS A 39 1.660 13.202 7.377 1.00 0.00 C ATOM 603 CE LYS A 39 1.274 14.662 7.471 1.00 0.00 C ATOM 604 NZ LYS A 39 2.422 15.520 7.849 1.00 0.00 N ATOM 0 H LYS A 39 1.013 8.428 6.185 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.185 10.318 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.059 10.509 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.775 10.827 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.187 12.770 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.342 12.489 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.967 12.837 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.516 13.088 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.875 14.993 6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.477 14.779 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.112 16.511 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.788 15.222 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.173 15.430 7.135 1.00 0.00 H new ATOM 618 N MET A 40 -1.016 11.623 4.324 1.00 0.00 N ATOM 619 CA MET A 40 -1.268 12.085 2.959 1.00 0.00 C ATOM 620 C MET A 40 0.008 12.434 2.217 1.00 0.00 C ATOM 621 O MET A 40 0.140 12.163 1.028 1.00 0.00 O ATOM 622 CB MET A 40 -2.198 13.300 2.965 1.00 0.00 C ATOM 623 CG MET A 40 -3.650 12.971 3.243 1.00 0.00 C ATOM 624 SD MET A 40 -4.701 13.183 1.792 1.00 0.00 S ATOM 625 CE MET A 40 -3.852 12.154 0.598 1.00 0.00 C ATOM 0 H MET A 40 -1.369 12.250 5.047 1.00 0.00 H new ATOM 0 HA MET A 40 -1.743 11.256 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.848 14.008 3.716 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.129 13.800 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.725 11.942 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.015 13.609 4.048 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.288 12.307 -0.389 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.795 12.421 0.574 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.955 11.107 0.882 1.00 0.00 H new ATOM 635 N THR A 41 0.955 13.019 2.912 1.00 0.00 N ATOM 636 CA THR A 41 2.174 13.475 2.278 1.00 0.00 C ATOM 637 C THR A 41 3.322 12.473 2.466 1.00 0.00 C ATOM 638 O THR A 41 4.495 12.809 2.279 1.00 0.00 O ATOM 639 CB THR A 41 2.581 14.868 2.820 1.00 0.00 C ATOM 640 OG1 THR A 41 3.612 15.444 2.008 1.00 0.00 O ATOM 641 CG2 THR A 41 3.056 14.772 4.259 1.00 0.00 C ATOM 0 H THR A 41 0.907 13.191 3.916 1.00 0.00 H new ATOM 0 HA THR A 41 1.976 13.555 1.209 1.00 0.00 H new ATOM 0 HB THR A 41 1.700 15.509 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.271 14.756 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.336 15.763 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.254 14.375 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.920 14.109 4.314 1.00 0.00 H new ATOM 649 N THR A 42 2.998 11.238 2.818 1.00 0.00 N ATOM 650 CA THR A 42 4.029 10.236 2.993 1.00 0.00 C ATOM 651 C THR A 42 4.189 9.429 1.707 1.00 0.00 C ATOM 652 O THR A 42 3.340 9.488 0.814 1.00 0.00 O ATOM 653 CB THR A 42 3.733 9.282 4.188 1.00 0.00 C ATOM 654 OG1 THR A 42 4.971 8.786 4.721 1.00 0.00 O ATOM 655 CG2 THR A 42 2.868 8.101 3.754 1.00 0.00 C ATOM 0 H THR A 42 2.046 10.913 2.985 1.00 0.00 H new ATOM 0 HA THR A 42 4.958 10.759 3.221 1.00 0.00 H new ATOM 0 HB THR A 42 3.191 9.847 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.786 8.187 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.679 7.454 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.920 8.469 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.386 7.536 2.980 1.00 0.00 H new ATOM 663 N HIS A 43 5.268 8.683 1.604 1.00 0.00 N ATOM 664 CA HIS A 43 5.519 7.881 0.429 1.00 0.00 C ATOM 665 C HIS A 43 4.753 6.566 0.461 1.00 0.00 C ATOM 666 O HIS A 43 4.686 5.883 1.488 1.00 0.00 O ATOM 667 CB HIS A 43 7.011 7.626 0.245 1.00 0.00 C ATOM 668 CG HIS A 43 7.729 8.732 -0.454 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.067 8.985 -0.288 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.290 9.626 -1.363 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.425 9.983 -1.070 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.363 10.391 -1.735 1.00 0.00 N ATOM 0 H HIS A 43 5.987 8.616 2.324 1.00 0.00 H new ATOM 0 HA HIS A 43 5.158 8.452 -0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.467 7.470 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.146 6.704 -0.320 1.00 0.00 H new ATOM 0 HD1 HIS A 43 9.688 8.479 0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.279 9.721 -1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.419 10.396 -1.152 1.00 0.00 H new ATOM 681 N LEU A 44 4.193 6.216 -0.686 1.00 0.00 N ATOM 682 CA LEU A 44 3.417 4.987 -0.869 1.00 0.00 C ATOM 683 C LEU A 44 4.296 3.762 -0.712 1.00 0.00 C ATOM 684 O LEU A 44 3.802 2.648 -0.570 1.00 0.00 O ATOM 685 CB LEU A 44 2.787 4.976 -2.269 1.00 0.00 C ATOM 686 CG LEU A 44 1.256 4.967 -2.343 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.698 3.665 -1.825 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.673 6.131 -1.578 1.00 0.00 C ATOM 0 H LEU A 44 4.262 6.782 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 44 2.638 4.961 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.147 5.851 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.157 4.099 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 44 0.973 5.068 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.390 3.685 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.082 2.840 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.998 3.528 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.415 6.103 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.973 6.066 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.039 7.066 -2.003 1.00 0.00 H new ATOM 700 N LYS A 45 5.604 3.972 -0.741 1.00 0.00 N ATOM 701 CA LYS A 45 6.574 2.895 -0.637 1.00 0.00 C ATOM 702 C LYS A 45 6.310 1.985 0.558 1.00 0.00 C ATOM 703 O LYS A 45 6.146 0.787 0.392 1.00 0.00 O ATOM 704 CB LYS A 45 7.997 3.458 -0.603 1.00 0.00 C ATOM 705 CG LYS A 45 8.239 4.506 0.468 1.00 0.00 C ATOM 706 CD LYS A 45 8.994 3.944 1.670 1.00 0.00 C ATOM 707 CE LYS A 45 10.364 3.412 1.280 1.00 0.00 C ATOM 708 NZ LYS A 45 10.357 1.950 0.964 1.00 0.00 N ATOM 0 H LYS A 45 6.022 4.897 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 45 6.466 2.274 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.695 2.635 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.224 3.893 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.805 5.334 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.283 4.911 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.108 4.723 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.410 3.144 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.728 3.963 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.065 3.599 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.139 1.483 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.453 1.534 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.474 1.816 -0.061 1.00 0.00 H new ATOM 722 N LYS A 46 6.217 2.556 1.763 1.00 0.00 N ATOM 723 CA LYS A 46 6.005 1.751 2.960 1.00 0.00 C ATOM 724 C LYS A 46 4.635 1.095 2.954 1.00 0.00 C ATOM 725 O LYS A 46 4.427 0.059 3.560 1.00 0.00 O ATOM 726 CB LYS A 46 6.265 2.563 4.265 1.00 0.00 C ATOM 727 CG LYS A 46 5.597 3.952 4.352 1.00 0.00 C ATOM 728 CD LYS A 46 4.089 3.887 4.620 1.00 0.00 C ATOM 729 CE LYS A 46 3.756 3.169 5.936 1.00 0.00 C ATOM 730 NZ LYS A 46 4.289 3.879 7.131 1.00 0.00 N ATOM 0 H LYS A 46 6.285 3.560 1.930 1.00 0.00 H new ATOM 0 HA LYS A 46 6.743 0.949 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.926 1.967 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.341 2.694 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.075 4.528 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.770 4.489 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.685 4.899 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.598 3.372 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.674 3.073 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.164 2.159 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.992 3.379 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.328 3.904 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.920 4.851 7.150 1.00 0.00 H new ATOM 744 N LEU A 47 3.707 1.698 2.244 1.00 0.00 N ATOM 745 CA LEU A 47 2.360 1.180 2.124 1.00 0.00 C ATOM 746 C LEU A 47 2.332 -0.053 1.210 1.00 0.00 C ATOM 747 O LEU A 47 1.807 -1.107 1.580 1.00 0.00 O ATOM 748 CB LEU A 47 1.452 2.295 1.579 1.00 0.00 C ATOM 749 CG LEU A 47 -0.055 2.012 1.498 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.822 3.323 1.418 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.393 1.139 0.287 1.00 0.00 C ATOM 0 H LEU A 47 3.865 2.565 1.731 1.00 0.00 H new ATOM 0 HA LEU A 47 1.997 0.865 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.594 3.178 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.799 2.551 0.578 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.347 1.471 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.891 3.116 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.615 3.920 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.511 3.873 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.467 0.957 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.087 1.649 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.134 0.188 0.365 1.00 0.00 H new ATOM 763 N LYS A 48 2.910 0.076 0.018 1.00 0.00 N ATOM 764 CA LYS A 48 2.903 -1.007 -0.960 1.00 0.00 C ATOM 765 C LYS A 48 3.639 -2.232 -0.441 1.00 0.00 C ATOM 766 O LYS A 48 3.190 -3.361 -0.621 1.00 0.00 O ATOM 767 CB LYS A 48 3.449 -0.539 -2.332 1.00 0.00 C ATOM 768 CG LYS A 48 4.737 0.263 -2.257 1.00 0.00 C ATOM 769 CD LYS A 48 5.041 0.987 -3.566 1.00 0.00 C ATOM 770 CE LYS A 48 5.538 0.040 -4.642 1.00 0.00 C ATOM 771 NZ LYS A 48 6.928 -0.431 -4.385 1.00 0.00 N ATOM 0 H LYS A 48 3.389 0.921 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 48 1.865 -1.301 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.617 -1.414 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.688 0.066 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.663 0.991 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.564 -0.403 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.142 1.493 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.791 1.757 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.871 -0.820 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.500 0.541 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.580 0.031 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.201 -0.192 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.975 -1.462 -4.514 1.00 0.00 H new ATOM 785 N GLU A 49 4.747 -2.018 0.230 1.00 0.00 N ATOM 786 CA GLU A 49 5.496 -3.124 0.806 1.00 0.00 C ATOM 787 C GLU A 49 4.763 -3.697 2.020 1.00 0.00 C ATOM 788 O GLU A 49 4.821 -4.898 2.285 1.00 0.00 O ATOM 789 CB GLU A 49 6.924 -2.698 1.172 1.00 0.00 C ATOM 790 CG GLU A 49 6.996 -1.436 2.013 1.00 0.00 C ATOM 791 CD GLU A 49 8.411 -1.063 2.415 1.00 0.00 C ATOM 792 OE1 GLU A 49 9.064 -1.862 3.113 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.872 0.041 2.044 1.00 0.00 O ATOM 0 H GLU A 49 5.152 -1.096 0.393 1.00 0.00 H new ATOM 0 HA GLU A 49 5.571 -3.909 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.407 -3.511 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.492 -2.544 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.554 -0.610 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.394 -1.572 2.912 1.00 0.00 H new ATOM 800 N SER A 50 4.034 -2.839 2.735 1.00 0.00 N ATOM 801 CA SER A 50 3.300 -3.258 3.924 1.00 0.00 C ATOM 802 C SER A 50 2.181 -4.227 3.568 1.00 0.00 C ATOM 803 O SER A 50 2.007 -5.264 4.219 1.00 0.00 O ATOM 804 CB SER A 50 2.724 -2.043 4.660 1.00 0.00 C ATOM 805 OG SER A 50 2.044 -2.427 5.844 1.00 0.00 O ATOM 0 H SER A 50 3.938 -1.849 2.509 1.00 0.00 H new ATOM 0 HA SER A 50 4.002 -3.770 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.529 -1.352 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.038 -1.509 4.002 1.00 0.00 H new ATOM 0 HG SER A 50 1.690 -1.630 6.291 1.00 0.00 H new ATOM 811 N TYR A 51 1.436 -3.929 2.521 1.00 0.00 N ATOM 812 CA TYR A 51 0.330 -4.785 2.164 1.00 0.00 C ATOM 813 C TYR A 51 0.842 -6.054 1.475 1.00 0.00 C ATOM 814 O TYR A 51 0.273 -7.132 1.642 1.00 0.00 O ATOM 815 CB TYR A 51 -0.713 -4.043 1.299 1.00 0.00 C ATOM 816 CG TYR A 51 -0.489 -4.141 -0.191 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.918 -5.252 -0.903 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.146 -3.132 -0.882 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.714 -5.355 -2.254 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.353 -3.224 -2.243 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.079 -4.341 -2.921 1.00 0.00 C ATOM 822 OH TYR A 51 0.127 -4.445 -4.268 1.00 0.00 O ATOM 0 H TYR A 51 1.574 -3.119 1.917 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.181 -5.080 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.702 -4.438 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.716 -2.991 1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.423 -6.052 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.487 -2.256 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.052 -6.230 -2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.851 -2.425 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.409 -5.184 -4.625 1.00 0.00 H new ATOM 832 N CYS A 52 1.946 -5.934 0.716 1.00 0.00 N ATOM 833 CA CYS A 52 2.523 -7.085 0.018 1.00 0.00 C ATOM 834 C CYS A 52 2.961 -8.141 1.007 1.00 0.00 C ATOM 835 O CYS A 52 2.683 -9.334 0.835 1.00 0.00 O ATOM 836 CB CYS A 52 3.716 -6.665 -0.842 1.00 0.00 C ATOM 837 SG CYS A 52 3.279 -5.694 -2.300 1.00 0.00 S ATOM 0 H CYS A 52 2.449 -5.058 0.574 1.00 0.00 H new ATOM 0 HA CYS A 52 1.751 -7.498 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.405 -6.085 -0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.250 -7.559 -1.163 1.00 0.00 H new ATOM 0 HG CYS A 52 3.084 -4.456 -1.954 1.00 0.00 H new ATOM 843 N GLN A 53 3.624 -7.709 2.069 1.00 0.00 N ATOM 844 CA GLN A 53 4.110 -8.630 3.070 1.00 0.00 C ATOM 845 C GLN A 53 2.952 -9.229 3.851 1.00 0.00 C ATOM 846 O GLN A 53 3.018 -10.374 4.288 1.00 0.00 O ATOM 847 CB GLN A 53 5.111 -7.959 4.014 1.00 0.00 C ATOM 848 CG GLN A 53 4.542 -6.786 4.783 1.00 0.00 C ATOM 849 CD GLN A 53 5.527 -6.186 5.752 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.741 -6.225 5.534 1.00 0.00 O ATOM 851 NE2 GLN A 53 5.019 -5.632 6.829 1.00 0.00 N ATOM 0 H GLN A 53 3.834 -6.728 2.254 1.00 0.00 H new ATOM 0 HA GLN A 53 4.634 -9.434 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.479 -8.701 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.969 -7.618 3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.219 -6.019 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.656 -7.111 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.009 -5.622 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.635 -5.212 7.525 1.00 0.00 H new ATOM 860 N ARG A 54 1.873 -8.450 4.037 1.00 0.00 N ATOM 861 CA ARG A 54 0.680 -8.946 4.724 1.00 0.00 C ATOM 862 C ARG A 54 0.086 -10.148 4.009 1.00 0.00 C ATOM 863 O ARG A 54 -0.526 -11.013 4.625 1.00 0.00 O ATOM 864 CB ARG A 54 -0.374 -7.841 4.846 1.00 0.00 C ATOM 865 CG ARG A 54 -0.071 -6.801 5.913 1.00 0.00 C ATOM 866 CD ARG A 54 -0.379 -7.315 7.317 1.00 0.00 C ATOM 867 NE ARG A 54 0.382 -8.521 7.659 1.00 0.00 N ATOM 868 CZ ARG A 54 1.514 -8.531 8.363 1.00 0.00 C ATOM 869 NH1 ARG A 54 2.038 -7.397 8.815 1.00 0.00 N ATOM 870 NH2 ARG A 54 2.119 -9.682 8.615 1.00 0.00 N ATOM 0 H ARG A 54 1.807 -7.482 3.722 1.00 0.00 H new ATOM 0 HA ARG A 54 0.986 -9.258 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.470 -7.339 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.339 -8.298 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.979 -6.516 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.656 -5.902 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.157 -6.532 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.445 -7.529 7.395 1.00 0.00 H new ATOM 0 HE ARG A 54 0.019 -9.417 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.574 -6.509 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.905 -7.414 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.719 -10.555 8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.985 -9.696 9.153 1.00 0.00 H new ATOM 884 N GLN A 55 0.269 -10.203 2.707 1.00 0.00 N ATOM 885 CA GLN A 55 -0.243 -11.306 1.917 1.00 0.00 C ATOM 886 C GLN A 55 0.773 -12.436 1.833 1.00 0.00 C ATOM 887 O GLN A 55 0.424 -13.584 1.561 1.00 0.00 O ATOM 888 CB GLN A 55 -0.594 -10.826 0.524 1.00 0.00 C ATOM 889 CG GLN A 55 -1.781 -9.885 0.483 1.00 0.00 C ATOM 890 CD GLN A 55 -1.679 -8.871 -0.634 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.681 -8.478 -1.234 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.471 -8.414 -0.899 1.00 0.00 N ATOM 0 H GLN A 55 0.770 -9.495 2.170 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.140 -11.687 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.272 -10.323 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.805 -11.690 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.696 -10.465 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.860 -9.363 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.333 -8.766 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.340 -7.709 -1.624 1.00 0.00 H new ATOM 901 N GLY A 56 2.035 -12.112 2.071 1.00 0.00 N ATOM 902 CA GLY A 56 3.081 -13.115 2.028 1.00 0.00 C ATOM 903 C GLY A 56 3.599 -13.344 0.624 1.00 0.00 C ATOM 904 O GLY A 56 4.065 -14.437 0.288 1.00 0.00 O ATOM 0 H GLY A 56 2.355 -11.170 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.905 -12.806 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.698 -14.053 2.429 1.00 0.00 H new ATOM 908 N VAL A 57 3.527 -12.318 -0.209 1.00 0.00 N ATOM 909 CA VAL A 57 3.966 -12.422 -1.593 1.00 0.00 C ATOM 910 C VAL A 57 4.846 -11.233 -1.978 1.00 0.00 C ATOM 911 O VAL A 57 4.746 -10.159 -1.377 1.00 0.00 O ATOM 912 CB VAL A 57 2.758 -12.506 -2.566 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.953 -13.776 -2.324 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.870 -11.281 -2.429 1.00 0.00 C ATOM 0 H VAL A 57 3.167 -11.399 0.050 1.00 0.00 H new ATOM 0 HA VAL A 57 4.547 -13.340 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 57 3.148 -12.537 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.113 -13.812 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.590 -14.646 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.579 -13.780 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.031 -11.361 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.495 -11.216 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.447 -10.386 -2.661 1.00 0.00 H new ATOM 924 N PRO A 58 5.746 -11.422 -2.960 1.00 0.00 N ATOM 925 CA PRO A 58 6.611 -10.356 -3.449 1.00 0.00 C ATOM 926 C PRO A 58 5.877 -9.392 -4.388 1.00 0.00 C ATOM 927 O PRO A 58 4.800 -9.704 -4.915 1.00 0.00 O ATOM 928 CB PRO A 58 7.712 -11.100 -4.195 1.00 0.00 C ATOM 929 CG PRO A 58 7.085 -12.377 -4.641 1.00 0.00 C ATOM 930 CD PRO A 58 6.002 -12.704 -3.645 1.00 0.00 C ATOM 0 HA PRO A 58 6.982 -9.730 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.073 -10.521 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.569 -11.287 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.669 -12.274 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.825 -13.176 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.105 -13.078 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.324 -13.474 -2.944 1.00 0.00 H new ATOM 938 N MET A 59 6.481 -8.230 -4.626 1.00 0.00 N ATOM 939 CA MET A 59 5.879 -7.180 -5.459 1.00 0.00 C ATOM 940 C MET A 59 5.830 -7.572 -6.927 1.00 0.00 C ATOM 941 O MET A 59 5.226 -6.886 -7.740 1.00 0.00 O ATOM 942 CB MET A 59 6.654 -5.880 -5.334 1.00 0.00 C ATOM 943 CG MET A 59 6.585 -5.252 -3.971 1.00 0.00 C ATOM 944 SD MET A 59 7.201 -3.563 -3.970 1.00 0.00 S ATOM 945 CE MET A 59 6.664 -3.052 -2.361 1.00 0.00 C ATOM 0 H MET A 59 7.398 -7.986 -4.251 1.00 0.00 H new ATOM 0 HA MET A 59 4.860 -7.046 -5.096 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.698 -6.067 -5.583 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.273 -5.171 -6.069 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.553 -5.261 -3.621 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.166 -5.849 -3.268 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.140 -2.106 -2.102 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.581 -2.925 -2.362 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.940 -3.810 -1.628 1.00 0.00 H new ATOM 955 N ASN A 60 6.467 -8.667 -7.269 1.00 0.00 N ATOM 956 CA ASN A 60 6.530 -9.111 -8.655 1.00 0.00 C ATOM 957 C ASN A 60 5.402 -10.079 -8.969 1.00 0.00 C ATOM 958 O ASN A 60 5.158 -10.422 -10.122 1.00 0.00 O ATOM 959 CB ASN A 60 7.886 -9.765 -8.953 1.00 0.00 C ATOM 960 CG ASN A 60 8.302 -10.741 -7.870 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.034 -10.384 -6.948 1.00 0.00 O ATOM 962 ND2 ASN A 60 7.836 -11.969 -7.958 1.00 0.00 N ATOM 0 H ASN A 60 6.953 -9.274 -6.609 1.00 0.00 H new ATOM 0 HA ASN A 60 6.417 -8.234 -9.292 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.834 -10.286 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.647 -8.991 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.080 -12.659 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.231 -12.230 -8.737 1.00 0.00 H new ATOM 969 N SER A 61 4.727 -10.539 -7.939 1.00 0.00 N ATOM 970 CA SER A 61 3.640 -11.483 -8.102 1.00 0.00 C ATOM 971 C SER A 61 2.313 -10.767 -8.323 1.00 0.00 C ATOM 972 O SER A 61 1.367 -11.328 -8.890 1.00 0.00 O ATOM 973 CB SER A 61 3.549 -12.364 -6.866 1.00 0.00 C ATOM 974 OG SER A 61 4.759 -13.065 -6.653 1.00 0.00 O ATOM 0 H SER A 61 4.913 -10.273 -6.972 1.00 0.00 H new ATOM 0 HA SER A 61 3.843 -12.094 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.321 -11.751 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.729 -13.073 -6.980 1.00 0.00 H new ATOM 0 HG SER A 61 4.569 -13.919 -6.212 1.00 0.00 H new ATOM 980 N LEU A 62 2.237 -9.535 -7.893 1.00 0.00 N ATOM 981 CA LEU A 62 1.011 -8.792 -7.993 1.00 0.00 C ATOM 982 C LEU A 62 1.232 -7.372 -8.503 1.00 0.00 C ATOM 983 O LEU A 62 2.345 -6.871 -8.526 1.00 0.00 O ATOM 984 CB LEU A 62 0.264 -8.814 -6.650 1.00 0.00 C ATOM 985 CG LEU A 62 1.108 -8.607 -5.385 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.755 -7.226 -5.359 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.255 -8.817 -4.152 1.00 0.00 C ATOM 0 H LEU A 62 3.012 -9.025 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 62 0.384 -9.281 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.504 -8.041 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.250 -9.771 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 62 1.911 -9.344 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.344 -7.117 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.404 -7.112 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.980 -6.460 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.863 -8.668 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.569 -8.103 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.144 -9.831 -4.154 1.00 0.00 H new ATOM 999 N ARG A 63 0.154 -6.734 -8.910 1.00 0.00 N ATOM 1000 CA ARG A 63 0.228 -5.390 -9.457 1.00 0.00 C ATOM 1001 C ARG A 63 -0.519 -4.398 -8.583 1.00 0.00 C ATOM 1002 O ARG A 63 -1.722 -4.520 -8.381 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.338 -5.342 -10.881 1.00 0.00 C ATOM 1004 CG ARG A 63 -0.211 -6.643 -11.655 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.258 -6.402 -13.149 1.00 0.00 C ATOM 1006 NE ARG A 63 0.995 -5.834 -13.635 1.00 0.00 N ATOM 1007 CZ ARG A 63 1.100 -4.949 -14.630 1.00 0.00 C ATOM 1008 NH1 ARG A 63 0.008 -4.478 -15.229 1.00 0.00 N ATOM 1009 NH2 ARG A 63 2.299 -4.531 -15.019 1.00 0.00 N ATOM 0 H ARG A 63 -0.788 -7.124 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 63 1.282 -5.112 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.391 -5.066 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.172 -4.554 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.726 -7.134 -11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.016 -7.319 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.458 -7.341 -13.665 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.081 -5.727 -13.385 1.00 0.00 H new ATOM 0 HE ARG A 63 1.857 -6.136 -13.180 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.914 -4.793 -14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.094 -3.802 -15.988 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.137 -4.886 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.382 -3.855 -15.779 1.00 0.00 H new ATOM 1023 N PHE A 64 0.196 -3.420 -8.061 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.405 -2.367 -7.245 1.00 0.00 C ATOM 1025 C PHE A 64 -0.691 -1.134 -8.086 1.00 0.00 C ATOM 1026 O PHE A 64 0.229 -0.461 -8.565 1.00 0.00 O ATOM 1027 CB PHE A 64 0.494 -2.010 -6.040 1.00 0.00 C ATOM 1028 CG PHE A 64 1.979 -2.230 -6.267 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.646 -1.591 -7.304 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.699 -3.077 -5.439 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.994 -1.797 -7.510 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.047 -3.284 -5.642 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.695 -2.644 -6.681 1.00 0.00 C ATOM 0 H PHE A 64 1.204 -3.327 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.350 -2.745 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.331 -0.964 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.180 -2.604 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.102 -0.925 -7.957 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.198 -3.581 -4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.500 -1.294 -8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.596 -3.946 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.750 -2.808 -6.843 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.957 -0.829 -8.286 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.312 0.319 -9.088 1.00 0.00 C ATOM 1045 C LEU A 65 -3.542 1.038 -8.541 1.00 0.00 C ATOM 1046 O LEU A 65 -4.291 0.504 -7.723 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.487 -0.079 -10.595 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.779 -0.815 -11.019 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.105 -1.952 -10.084 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.946 0.155 -11.144 1.00 0.00 C ATOM 0 H LEU A 65 -2.746 -1.353 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.486 1.028 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.415 0.832 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.641 -0.708 -10.872 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.601 -1.250 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.019 -2.445 -10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.285 -2.670 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.247 -1.564 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.841 -0.390 -11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.120 0.640 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.713 0.910 -11.895 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.747 2.245 -9.008 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.869 3.055 -8.615 1.00 0.00 C ATOM 1064 C PHE A 66 -5.313 3.881 -9.794 1.00 0.00 C ATOM 1065 O PHE A 66 -4.483 4.433 -10.498 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.496 3.964 -7.445 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.600 4.885 -7.029 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.667 4.410 -6.298 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.563 6.226 -7.367 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.684 5.253 -5.907 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.576 7.078 -6.982 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.640 6.592 -6.249 1.00 0.00 C ATOM 0 H PHE A 66 -3.129 2.697 -9.682 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.683 2.407 -8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.208 3.347 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.623 4.557 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.707 3.365 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.731 6.610 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.515 4.868 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.537 8.123 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.436 7.256 -5.944 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.629 3.935 -10.019 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.254 4.681 -11.139 1.00 0.00 C ATOM 1084 C GLU A 67 -6.586 4.370 -12.494 1.00 0.00 C ATOM 1085 O GLU A 67 -6.619 5.184 -13.424 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.266 6.207 -10.885 1.00 0.00 C ATOM 1087 CG GLU A 67 -5.903 6.864 -10.958 1.00 0.00 C ATOM 1088 CD GLU A 67 -5.978 8.363 -11.090 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.066 8.866 -12.229 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.953 9.051 -10.058 1.00 0.00 O ATOM 0 H GLU A 67 -7.308 3.458 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.287 4.337 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.923 6.679 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.695 6.396 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.336 6.612 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.355 6.457 -11.808 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.021 3.182 -12.621 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.345 2.806 -13.849 1.00 0.00 C ATOM 1099 C GLY A 68 -3.892 3.261 -13.901 1.00 0.00 C ATOM 1100 O GLY A 68 -3.320 3.406 -14.979 1.00 0.00 O ATOM 0 H GLY A 68 -6.017 2.466 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.383 1.722 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.882 3.232 -14.696 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.288 3.486 -12.748 1.00 0.00 N ATOM 1105 CA GLN A 69 -1.894 3.911 -12.685 1.00 0.00 C ATOM 1106 C GLN A 69 -1.147 3.053 -11.670 1.00 0.00 C ATOM 1107 O GLN A 69 -1.648 2.799 -10.583 1.00 0.00 O ATOM 1108 CB GLN A 69 -1.798 5.402 -12.281 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.594 5.625 -10.782 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.713 7.069 -10.363 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.742 7.822 -10.405 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -2.884 7.447 -9.905 1.00 0.00 N ATOM 0 H GLN A 69 -3.739 3.382 -11.839 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.444 3.789 -13.670 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.972 5.863 -12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.709 5.913 -12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.327 5.035 -10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.609 5.254 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.662 6.788 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.015 8.400 -9.565 1.00 0.00 H new ATOM 1121 N ARG A 70 0.024 2.580 -12.018 1.00 0.00 N ATOM 1122 CA ARG A 70 0.812 1.788 -11.087 1.00 0.00 C ATOM 1123 C ARG A 70 1.408 2.674 -10.007 1.00 0.00 C ATOM 1124 O ARG A 70 1.768 3.833 -10.243 1.00 0.00 O ATOM 1125 CB ARG A 70 1.903 0.951 -11.799 1.00 0.00 C ATOM 1126 CG ARG A 70 3.058 1.743 -12.412 1.00 0.00 C ATOM 1127 CD ARG A 70 2.583 2.693 -13.493 1.00 0.00 C ATOM 1128 NE ARG A 70 1.734 2.022 -14.489 1.00 0.00 N ATOM 1129 CZ ARG A 70 0.871 2.655 -15.289 1.00 0.00 C ATOM 1130 NH1 ARG A 70 0.751 3.973 -15.231 1.00 0.00 N ATOM 1131 NH2 ARG A 70 0.128 1.969 -16.140 1.00 0.00 N ATOM 0 H ARG A 70 0.456 2.724 -12.931 1.00 0.00 H new ATOM 0 HA ARG A 70 0.137 1.074 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.315 0.241 -11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.429 0.368 -12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.566 2.308 -11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.789 1.052 -12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.027 3.511 -13.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.446 3.134 -13.992 1.00 0.00 H new ATOM 0 HE ARG A 70 1.809 1.008 -14.575 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.319 4.508 -14.574 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.091 4.452 -15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.212 0.954 -16.187 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.530 2.455 -16.749 1.00 0.00 H new ATOM 1145 N ILE A 71 1.499 2.140 -8.824 1.00 0.00 N ATOM 1146 CA ILE A 71 1.979 2.888 -7.689 1.00 0.00 C ATOM 1147 C ILE A 71 3.486 2.722 -7.530 1.00 0.00 C ATOM 1148 O ILE A 71 3.998 1.607 -7.468 1.00 0.00 O ATOM 1149 CB ILE A 71 1.280 2.433 -6.393 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.247 2.332 -6.594 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.608 3.384 -5.263 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -0.904 3.605 -7.095 1.00 0.00 C ATOM 0 H ILE A 71 1.244 1.175 -8.614 1.00 0.00 H new ATOM 0 HA ILE A 71 1.749 3.938 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 71 1.649 1.441 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.455 1.529 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.707 2.050 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.109 3.053 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.686 3.399 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.266 4.386 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.976 3.442 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.732 4.409 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.476 3.880 -8.059 1.00 0.00 H new ATOM 1164 N ALA A 72 4.196 3.834 -7.456 1.00 0.00 N ATOM 1165 CA ALA A 72 5.628 3.812 -7.303 1.00 0.00 C ATOM 1166 C ALA A 72 5.997 4.106 -5.864 1.00 0.00 C ATOM 1167 O ALA A 72 5.171 4.594 -5.088 1.00 0.00 O ATOM 1168 CB ALA A 72 6.263 4.828 -8.234 1.00 0.00 C ATOM 0 H ALA A 72 3.793 4.770 -7.501 1.00 0.00 H new ATOM 0 HA ALA A 72 6.002 2.822 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.346 4.806 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.008 4.585 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.891 5.824 -7.993 1.00 0.00 H new ATOM 1174 N ASP A 73 7.232 3.834 -5.506 1.00 0.00 N ATOM 1175 CA ASP A 73 7.714 4.048 -4.143 1.00 0.00 C ATOM 1176 C ASP A 73 7.809 5.524 -3.811 1.00 0.00 C ATOM 1177 O ASP A 73 7.780 5.920 -2.647 1.00 0.00 O ATOM 1178 CB ASP A 73 9.065 3.367 -3.957 1.00 0.00 C ATOM 1179 CG ASP A 73 8.935 1.863 -3.945 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.816 1.267 -5.030 1.00 0.00 O ATOM 1181 OD2 ASP A 73 8.917 1.272 -2.849 1.00 0.00 O ATOM 0 H ASP A 73 7.935 3.459 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 73 6.994 3.605 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.738 3.668 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.515 3.701 -3.022 1.00 0.00 H new ATOM 1186 N ASN A 74 7.894 6.347 -4.833 1.00 0.00 N ATOM 1187 CA ASN A 74 7.994 7.782 -4.637 1.00 0.00 C ATOM 1188 C ASN A 74 6.634 8.419 -4.804 1.00 0.00 C ATOM 1189 O ASN A 74 6.478 9.633 -4.692 1.00 0.00 O ATOM 1190 CB ASN A 74 8.972 8.400 -5.632 1.00 0.00 C ATOM 1191 CG ASN A 74 10.279 7.658 -5.690 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.218 7.959 -4.950 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.346 6.677 -6.570 1.00 0.00 N ATOM 0 H ASN A 74 7.896 6.050 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 74 8.363 7.964 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.519 8.410 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.159 9.438 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.202 6.130 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.542 6.466 -7.161 1.00 0.00 H new ATOM 1200 N HIS A 75 5.631 7.594 -5.057 1.00 0.00 N ATOM 1201 CA HIS A 75 4.276 8.098 -5.235 1.00 0.00 C ATOM 1202 C HIS A 75 3.649 8.370 -3.894 1.00 0.00 C ATOM 1203 O HIS A 75 3.899 7.660 -2.933 1.00 0.00 O ATOM 1204 CB HIS A 75 3.404 7.117 -6.033 1.00 0.00 C ATOM 1205 CG HIS A 75 3.391 7.379 -7.510 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.751 6.558 -8.421 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.927 8.386 -8.234 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.903 7.049 -9.635 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.612 8.154 -9.549 1.00 0.00 N ATOM 0 H HIS A 75 5.726 6.582 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 75 4.338 9.025 -5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.761 6.102 -5.857 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.382 7.165 -5.656 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.497 9.219 -7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.512 6.618 -10.545 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.884 8.744 -10.335 1.00 0.00 H new ATOM 1218 N THR A 76 2.882 9.421 -3.807 1.00 0.00 N ATOM 1219 CA THR A 76 2.200 9.762 -2.571 1.00 0.00 C ATOM 1220 C THR A 76 0.694 9.744 -2.768 1.00 0.00 C ATOM 1221 O THR A 76 0.208 9.934 -3.891 1.00 0.00 O ATOM 1222 CB THR A 76 2.633 11.156 -2.068 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.328 12.141 -3.053 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.117 11.186 -1.784 1.00 0.00 C ATOM 0 H THR A 76 2.707 10.066 -4.578 1.00 0.00 H new ATOM 0 HA THR A 76 2.475 9.015 -1.826 1.00 0.00 H new ATOM 0 HB THR A 76 2.091 11.370 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.974 12.876 -2.992 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.400 12.178 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.356 10.447 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.667 10.955 -2.696 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.077 9.515 -1.687 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.535 9.487 -1.757 1.00 0.00 C ATOM 1234 C PRO A 77 -2.083 10.835 -2.193 1.00 0.00 C ATOM 1235 O PRO A 77 -3.040 10.920 -2.953 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.973 9.182 -0.316 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.764 8.638 0.360 1.00 0.00 C ATOM 1238 CD PRO A 77 0.414 9.267 -0.319 1.00 0.00 C ATOM 0 HA PRO A 77 -1.899 8.756 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.331 10.082 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.790 8.461 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.773 8.876 1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.727 7.552 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.716 10.191 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.281 8.606 -0.316 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.447 11.895 -1.719 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.861 13.249 -2.039 1.00 0.00 C ATOM 1248 C LYS A 78 -1.673 13.536 -3.527 1.00 0.00 C ATOM 1249 O LYS A 78 -2.549 14.101 -4.171 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.069 14.260 -1.208 1.00 0.00 C ATOM 1251 CG LYS A 78 0.416 14.142 -1.423 1.00 0.00 C ATOM 1252 CD LYS A 78 1.183 15.326 -0.898 1.00 0.00 C ATOM 1253 CE LYS A 78 2.565 15.343 -1.513 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.436 16.394 -0.936 1.00 0.00 N ATOM 0 H LYS A 78 -0.634 11.840 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.920 13.345 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.391 15.269 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.293 14.113 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.777 13.237 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.615 14.031 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.656 16.250 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.257 15.273 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.034 14.369 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.478 15.499 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.352 16.394 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.982 17.323 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.586 16.204 0.075 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.536 13.110 -4.080 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.229 13.365 -5.474 1.00 0.00 C ATOM 1270 C GLU A 79 -1.108 12.551 -6.391 1.00 0.00 C ATOM 1271 O GLU A 79 -1.571 13.039 -7.417 1.00 0.00 O ATOM 1272 CB GLU A 79 1.237 13.091 -5.774 1.00 0.00 C ATOM 1273 CG GLU A 79 2.162 14.231 -5.383 1.00 0.00 C ATOM 1274 CD GLU A 79 1.850 15.513 -6.127 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.882 16.206 -5.752 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.571 15.835 -7.096 1.00 0.00 O ATOM 0 H GLU A 79 0.182 12.588 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.429 14.421 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.544 12.188 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.350 12.892 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.081 14.408 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.194 13.942 -5.581 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.352 11.297 -6.024 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.191 10.434 -6.846 1.00 0.00 C ATOM 1285 C LEU A 80 -3.660 10.825 -6.696 1.00 0.00 C ATOM 1286 O LEU A 80 -4.523 10.359 -7.434 1.00 0.00 O ATOM 1287 CB LEU A 80 -1.984 8.947 -6.505 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.525 8.434 -6.514 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.474 6.942 -6.781 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.327 9.177 -7.520 1.00 0.00 C ATOM 0 H LEU A 80 -0.987 10.861 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.895 10.573 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.405 8.762 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.560 8.351 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.113 8.625 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.563 6.608 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.025 6.414 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.924 6.730 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.344 8.786 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.088 9.042 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.340 10.238 -7.273 1.00 0.00 H new ATOM 1302 N GLY A 81 -3.933 11.684 -5.728 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.277 12.189 -5.527 1.00 0.00 C ATOM 1304 C GLY A 81 -6.158 11.244 -4.746 1.00 0.00 C ATOM 1305 O GLY A 81 -7.311 11.015 -5.106 1.00 0.00 O ATOM 0 H GLY A 81 -3.241 12.045 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.225 13.143 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.734 12.383 -6.497 1.00 0.00 H new ATOM 1309 N MET A 82 -5.624 10.685 -3.683 1.00 0.00 N ATOM 1310 CA MET A 82 -6.374 9.783 -2.829 1.00 0.00 C ATOM 1311 C MET A 82 -6.835 10.526 -1.589 1.00 0.00 C ATOM 1312 O MET A 82 -6.360 11.629 -1.305 1.00 0.00 O ATOM 1313 CB MET A 82 -5.487 8.612 -2.401 1.00 0.00 C ATOM 1314 CG MET A 82 -4.938 7.790 -3.547 1.00 0.00 C ATOM 1315 SD MET A 82 -3.675 6.620 -3.006 1.00 0.00 S ATOM 1316 CE MET A 82 -3.169 5.922 -4.568 1.00 0.00 C ATOM 0 H MET A 82 -4.661 10.840 -3.384 1.00 0.00 H new ATOM 0 HA MET A 82 -7.235 9.407 -3.381 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.653 8.999 -1.816 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.061 7.959 -1.744 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.753 7.246 -4.025 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.515 8.456 -4.299 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.127 5.608 -4.506 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.794 5.060 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.276 6.671 -5.353 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.750 9.942 -0.853 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.222 10.531 0.387 1.00 0.00 C ATOM 1328 C GLU A 83 -8.299 9.461 1.465 1.00 0.00 C ATOM 1329 O GLU A 83 -7.808 8.346 1.280 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.591 11.190 0.189 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.692 10.222 -0.206 1.00 0.00 C ATOM 1332 CD GLU A 83 -12.037 10.893 -0.320 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.669 11.153 0.730 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.477 11.156 -1.456 1.00 0.00 O ATOM 0 H GLU A 83 -8.188 9.052 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.519 11.303 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.878 11.693 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.505 11.959 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.439 9.758 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.750 9.422 0.532 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.904 9.777 2.597 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.027 8.801 3.655 1.00 0.00 C ATOM 1343 C GLU A 84 -10.069 7.766 3.291 1.00 0.00 C ATOM 1344 O GLU A 84 -11.075 8.077 2.648 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.367 9.452 4.992 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.776 9.996 5.085 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.141 10.353 6.498 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.018 9.484 7.375 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.549 11.501 6.738 1.00 0.00 O ATOM 0 H GLU A 84 -9.311 10.690 2.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.060 8.311 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.221 8.720 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.664 10.265 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.868 10.878 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.478 9.255 4.704 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.808 6.525 3.673 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.694 5.402 3.409 1.00 0.00 C ATOM 1358 C GLU A 85 -10.712 5.041 1.929 1.00 0.00 C ATOM 1359 O GLU A 85 -11.535 4.235 1.477 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.087 5.671 3.954 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.168 5.546 5.461 1.00 0.00 C ATOM 1362 CD GLU A 85 -13.514 5.932 6.013 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -14.497 5.206 5.769 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -13.595 6.961 6.704 1.00 0.00 O ATOM 0 H GLU A 85 -8.963 6.266 4.182 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.304 4.532 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.398 6.674 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.790 4.973 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.946 4.518 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.402 6.176 5.914 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.809 5.656 1.165 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.653 5.345 -0.245 1.00 0.00 C ATOM 1373 C ASP A 86 -9.153 3.926 -0.414 1.00 0.00 C ATOM 1374 O ASP A 86 -8.613 3.320 0.523 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.686 6.309 -0.919 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.106 6.649 -2.328 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.639 5.760 -3.031 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.926 7.814 -2.735 1.00 0.00 O ATOM 0 H ASP A 86 -9.173 6.376 1.508 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.629 5.447 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.620 7.224 -0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.689 5.868 -0.936 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.306 3.391 -1.592 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.924 2.029 -1.843 1.00 0.00 C ATOM 1385 C VAL A 87 -8.003 1.922 -3.049 1.00 0.00 C ATOM 1386 O VAL A 87 -8.159 2.629 -4.047 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.169 1.125 -2.053 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -10.972 1.575 -3.265 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.762 -0.333 -2.184 1.00 0.00 C ATOM 0 H VAL A 87 -9.695 3.880 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.383 1.683 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.806 1.221 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.838 0.925 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.307 2.602 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.347 1.521 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.651 -0.947 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.096 -0.449 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.247 -0.650 -1.277 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.050 1.031 -2.954 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.122 0.785 -4.022 1.00 0.00 C ATOM 1401 C ILE A 88 -6.387 -0.612 -4.558 1.00 0.00 C ATOM 1402 O ILE A 88 -6.814 -1.507 -3.807 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.648 0.911 -3.545 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.451 2.213 -2.770 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.681 0.843 -4.717 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.507 2.039 -1.271 1.00 0.00 C ATOM 0 H ILE A 88 -6.897 0.453 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.265 1.532 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.435 0.070 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.488 2.645 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.217 2.926 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.658 0.934 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.799 -0.111 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.892 1.657 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.359 3.004 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.479 1.636 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.723 1.351 -0.955 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.135 -0.825 -5.824 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.454 -2.086 -6.437 1.00 0.00 C ATOM 1420 C GLU A 89 -5.193 -2.880 -6.696 1.00 0.00 C ATOM 1421 O GLU A 89 -4.149 -2.319 -7.041 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.205 -1.856 -7.739 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.839 -3.105 -8.304 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.947 -3.643 -7.417 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.835 -2.853 -7.021 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.959 -4.862 -7.144 1.00 0.00 O ATOM 0 H GLU A 89 -5.710 -0.141 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.089 -2.655 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.981 -1.109 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.517 -1.443 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.242 -2.889 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.075 -3.872 -8.431 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.258 -4.175 -6.494 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.128 -5.027 -6.733 1.00 0.00 C ATOM 1435 C VAL A 90 -4.537 -6.228 -7.577 1.00 0.00 C ATOM 1436 O VAL A 90 -5.545 -6.876 -7.308 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.522 -5.503 -5.404 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.336 -6.422 -5.637 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.122 -4.311 -4.551 1.00 0.00 C ATOM 0 H VAL A 90 -6.091 -4.660 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.376 -4.454 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.281 -6.074 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.929 -6.742 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.658 -7.296 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.568 -5.889 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.694 -4.663 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.384 -3.713 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.001 -3.701 -4.343 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.749 -6.533 -8.587 1.00 0.00 N ATOM 1450 CA TYR A 91 -4.045 -7.638 -9.487 1.00 0.00 C ATOM 1451 C TYR A 91 -2.953 -8.682 -9.416 1.00 0.00 C ATOM 1452 O TYR A 91 -1.934 -8.478 -8.772 1.00 0.00 O ATOM 1453 CB TYR A 91 -4.197 -7.146 -10.922 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.457 -6.354 -11.174 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.637 -6.994 -11.519 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.464 -4.972 -11.082 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.789 -6.281 -11.763 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.613 -4.250 -11.328 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.773 -4.911 -11.668 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.919 -4.195 -11.916 1.00 0.00 O ATOM 0 H TYR A 91 -2.891 -6.029 -8.810 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.988 -8.085 -9.172 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.336 -6.528 -11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.181 -8.005 -11.593 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.653 -8.071 -11.598 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.556 -4.452 -10.814 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.701 -6.796 -12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.604 -3.173 -11.255 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.738 -3.238 -11.805 1.00 0.00 H new ATOM 1470 N GLN A 92 -3.158 -9.797 -10.075 1.00 0.00 N ATOM 1471 CA GLN A 92 -2.187 -10.875 -10.079 1.00 0.00 C ATOM 1472 C GLN A 92 -1.414 -10.909 -11.395 1.00 0.00 C ATOM 1473 O GLN A 92 -1.999 -10.818 -12.475 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.891 -12.216 -9.886 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.969 -13.319 -9.411 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.713 -13.234 -7.927 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -2.413 -13.855 -7.141 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.714 -12.451 -7.532 1.00 0.00 N ATOM 0 H GLN A 92 -3.997 -9.986 -10.623 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.490 -10.699 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.699 -12.093 -9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.348 -12.516 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.408 -14.288 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.022 -13.258 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.155 -11.950 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.507 -12.351 -6.538 1.00 0.00 H new ATOM 1487 N GLU A 93 -0.100 -11.032 -11.307 1.00 0.00 N ATOM 1488 CA GLU A 93 0.732 -11.159 -12.493 1.00 0.00 C ATOM 1489 C GLU A 93 1.707 -12.328 -12.332 1.00 0.00 C ATOM 1490 O GLU A 93 2.771 -12.369 -12.953 1.00 0.00 O ATOM 1491 CB GLU A 93 1.477 -9.854 -12.801 1.00 0.00 C ATOM 1492 CG GLU A 93 2.420 -9.381 -11.714 1.00 0.00 C ATOM 1493 CD GLU A 93 3.322 -8.267 -12.197 1.00 0.00 C ATOM 1494 OE1 GLU A 93 2.886 -7.101 -12.206 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.470 -8.563 -12.589 1.00 0.00 O ATOM 0 H GLU A 93 0.414 -11.047 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 93 0.082 -11.365 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.046 -9.987 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.743 -9.071 -12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.842 -9.035 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.028 -10.218 -11.371 1.00 0.00 H new ATOM 1502 N GLN A 94 1.335 -13.266 -11.458 1.00 0.00 N ATOM 1503 CA GLN A 94 2.101 -14.498 -11.218 1.00 0.00 C ATOM 1504 C GLN A 94 2.215 -15.371 -12.489 1.00 0.00 C ATOM 1505 O GLN A 94 1.997 -14.911 -13.614 1.00 0.00 O ATOM 1506 CB GLN A 94 1.451 -15.304 -10.084 1.00 0.00 C ATOM 1507 CG GLN A 94 1.536 -14.646 -8.726 1.00 0.00 C ATOM 1508 CD GLN A 94 0.826 -15.443 -7.647 1.00 0.00 C ATOM 1509 OE1 GLN A 94 -0.148 -16.145 -7.918 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.306 -15.341 -6.424 1.00 0.00 N ATOM 0 H GLN A 94 0.489 -13.195 -10.892 1.00 0.00 H new ATOM 0 HA GLN A 94 3.111 -14.206 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.402 -15.472 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.927 -16.283 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.583 -14.522 -8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.101 -13.648 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.116 -14.748 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.868 -15.855 -5.660 1.00 0.00 H new ATOM 1519 N THR A 95 2.528 -16.642 -12.300 1.00 0.00 N ATOM 1520 CA THR A 95 2.721 -17.550 -13.400 1.00 0.00 C ATOM 1521 C THR A 95 2.535 -18.987 -12.921 1.00 0.00 C ATOM 1522 O THR A 95 2.538 -19.258 -11.711 1.00 0.00 O ATOM 1523 CB THR A 95 4.132 -17.376 -14.035 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.270 -18.224 -15.184 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.232 -17.698 -13.027 1.00 0.00 C ATOM 0 H THR A 95 2.653 -17.065 -11.380 1.00 0.00 H new ATOM 0 HA THR A 95 1.979 -17.323 -14.165 1.00 0.00 H new ATOM 0 HB THR A 95 4.234 -16.334 -14.340 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.161 -18.103 -15.574 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.206 -17.568 -13.498 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.150 -17.027 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.126 -18.729 -12.690 1.00 0.00 H new ATOM 1533 N GLY A 96 2.349 -19.902 -13.850 1.00 0.00 N ATOM 1534 CA GLY A 96 2.176 -21.289 -13.500 1.00 0.00 C ATOM 1535 C GLY A 96 2.950 -22.199 -14.415 1.00 0.00 C ATOM 1536 O GLY A 96 2.464 -23.256 -14.817 1.00 0.00 O ATOM 0 H GLY A 96 2.314 -19.707 -14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.500 -21.447 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.117 -21.545 -13.544 1.00 0.00 H new ATOM 1540 N GLY A 97 4.152 -21.786 -14.769 1.00 0.00 N ATOM 1541 CA GLY A 97 4.982 -22.589 -15.629 1.00 0.00 C ATOM 1542 C GLY A 97 5.834 -23.545 -14.837 1.00 0.00 C ATOM 1543 O GLY A 97 5.386 -24.683 -14.594 1.00 0.00 O ATOM 1544 OXT GLY A 97 6.946 -23.154 -14.427 1.00 0.00 O ATOM 0 H GLY A 97 4.569 -20.903 -14.473 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.355 -23.148 -16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.621 -21.941 -16.228 1.00 0.00 H new TER 1548 GLY A 97