USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.6) USER MOD Set 2.2: A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 4 HIS : no HE2:sc= 0.86 K(o=0.86,f=-2.9!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.042) USER MOD Single : A 6 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-0.75) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 8 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.38) USER MOD Single : A 9 SER OG : rot 180:sc= 0.196 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.16 (180deg=-0.789) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.143 F(o=-0.81,f=-0.14) USER MOD Single : A 22 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.43) USER MOD Single : A 26 GLN : amide:sc= -0.43 K(o=-0.43,f=-3.9!) USER MOD Single : A 29 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -29:sc= -0.485 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0519) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 58 MET CE :methyl -127:sc= -1.8 (180deg=-4.19!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc=-0.00311 (180deg=-0.0858) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.151 (180deg=-0.599) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 73 CYS SG : rot -38:sc= -3.39! USER MOD Single : A 77 THR OG1 : rot -32:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.894 -10.454 -19.263 1.00 0.00 N ATOM 2 CA MET A 1 -16.794 -11.258 -20.504 1.00 0.00 C ATOM 3 C MET A 1 -15.491 -12.086 -20.489 1.00 0.00 C ATOM 4 O MET A 1 -14.435 -11.609 -20.922 1.00 0.00 O ATOM 5 CB MET A 1 -16.865 -10.325 -21.747 1.00 0.00 C ATOM 6 CG MET A 1 -18.214 -9.606 -21.931 1.00 0.00 C ATOM 7 SD MET A 1 -19.568 -10.739 -22.309 1.00 0.00 S ATOM 8 CE MET A 1 -20.946 -9.605 -22.504 1.00 0.00 C ATOM 0 H1 MET A 1 -17.848 -10.046 -19.189 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.713 -11.063 -18.439 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.191 -9.688 -19.288 1.00 0.00 H new ATOM 0 HA MET A 1 -17.632 -11.953 -20.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.077 -9.576 -21.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.657 -10.914 -22.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.452 -9.053 -21.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.124 -8.875 -22.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.849 -10.167 -22.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.095 -9.051 -21.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.731 -8.907 -23.313 1.00 0.00 H new ATOM 20 N GLY A 2 -15.573 -13.311 -19.935 1.00 0.00 N ATOM 21 CA GLY A 2 -14.434 -14.230 -19.876 1.00 0.00 C ATOM 22 C GLY A 2 -14.570 -15.362 -20.890 1.00 0.00 C ATOM 23 O GLY A 2 -14.030 -15.277 -21.997 1.00 0.00 O ATOM 0 H GLY A 2 -16.427 -13.684 -19.520 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.512 -13.680 -20.066 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.355 -14.648 -18.872 1.00 0.00 H new ATOM 27 N HIS A 3 -15.320 -16.418 -20.510 1.00 0.00 N ATOM 28 CA HIS A 3 -15.564 -17.590 -21.376 1.00 0.00 C ATOM 29 C HIS A 3 -16.461 -17.190 -22.555 1.00 0.00 C ATOM 30 O HIS A 3 -16.218 -17.580 -23.705 1.00 0.00 O ATOM 31 CB HIS A 3 -16.196 -18.752 -20.563 1.00 0.00 C ATOM 32 CG HIS A 3 -16.388 -20.034 -21.350 1.00 0.00 C ATOM 33 ND1 HIS A 3 -17.614 -20.656 -21.494 1.00 0.00 N ATOM 34 CD2 HIS A 3 -15.501 -20.812 -22.028 1.00 0.00 C ATOM 35 CE1 HIS A 3 -17.476 -21.751 -22.219 1.00 0.00 C ATOM 36 NE2 HIS A 3 -16.209 -21.866 -22.560 1.00 0.00 N ATOM 0 H HIS A 3 -15.772 -16.482 -19.598 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.611 -17.942 -21.770 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.564 -18.961 -19.700 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.163 -18.427 -20.179 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.440 -20.636 -22.130 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -18.267 -22.436 -22.487 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.815 -22.616 -23.128 1.00 0.00 H new ATOM 45 N HIS A 4 -17.502 -16.414 -22.243 1.00 0.00 N ATOM 46 CA HIS A 4 -18.366 -15.780 -23.246 1.00 0.00 C ATOM 47 C HIS A 4 -17.734 -14.456 -23.692 1.00 0.00 C ATOM 48 O HIS A 4 -17.333 -13.650 -22.844 1.00 0.00 O ATOM 49 CB HIS A 4 -19.775 -15.527 -22.667 1.00 0.00 C ATOM 50 CG HIS A 4 -20.710 -14.823 -23.615 1.00 0.00 C ATOM 51 ND1 HIS A 4 -20.819 -13.452 -23.672 1.00 0.00 N ATOM 52 CD2 HIS A 4 -21.557 -15.299 -24.559 1.00 0.00 C ATOM 53 CE1 HIS A 4 -21.681 -13.117 -24.598 1.00 0.00 C ATOM 54 NE2 HIS A 4 -22.144 -14.213 -25.154 1.00 0.00 N ATOM 0 H HIS A 4 -17.772 -16.206 -21.282 1.00 0.00 H new ATOM 0 HA HIS A 4 -18.465 -16.445 -24.104 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -20.216 -16.482 -22.381 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.682 -14.934 -21.758 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -20.306 -12.797 -23.082 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -21.736 -16.337 -24.797 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.964 -12.108 -24.861 1.00 0.00 H new ATOM 63 N HIS A 5 -17.669 -14.251 -25.023 1.00 0.00 N ATOM 64 CA HIS A 5 -17.097 -13.040 -25.661 1.00 0.00 C ATOM 65 C HIS A 5 -15.561 -12.980 -25.481 1.00 0.00 C ATOM 66 O HIS A 5 -15.025 -13.500 -24.505 1.00 0.00 O ATOM 67 CB HIS A 5 -17.798 -11.733 -25.147 1.00 0.00 C ATOM 68 CG HIS A 5 -17.322 -10.445 -25.774 1.00 0.00 C ATOM 69 ND1 HIS A 5 -17.909 -9.889 -26.885 1.00 0.00 N ATOM 70 CD2 HIS A 5 -16.305 -9.609 -25.438 1.00 0.00 C ATOM 71 CE1 HIS A 5 -17.276 -8.777 -27.207 1.00 0.00 C ATOM 72 NE2 HIS A 5 -16.301 -8.584 -26.345 1.00 0.00 N ATOM 0 H HIS A 5 -18.017 -14.931 -25.699 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.293 -13.107 -26.731 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.870 -11.826 -25.320 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.654 -11.666 -24.069 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.625 -9.731 -24.608 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -17.518 -8.133 -28.039 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -15.649 -7.799 -26.352 1.00 0.00 H new ATOM 81 N HIS A 6 -14.880 -12.332 -26.452 1.00 0.00 N ATOM 82 CA HIS A 6 -13.411 -12.134 -26.470 1.00 0.00 C ATOM 83 C HIS A 6 -12.868 -11.679 -25.087 1.00 0.00 C ATOM 84 O HIS A 6 -13.045 -10.517 -24.682 1.00 0.00 O ATOM 85 CB HIS A 6 -13.044 -11.096 -27.567 1.00 0.00 C ATOM 86 CG HIS A 6 -11.562 -10.803 -27.699 1.00 0.00 C ATOM 87 ND1 HIS A 6 -10.870 -10.002 -26.806 1.00 0.00 N ATOM 88 CD2 HIS A 6 -10.643 -11.203 -28.615 1.00 0.00 C ATOM 89 CE1 HIS A 6 -9.608 -9.921 -27.171 1.00 0.00 C ATOM 90 NE2 HIS A 6 -9.445 -10.637 -28.257 1.00 0.00 N ATOM 0 H HIS A 6 -15.345 -11.923 -27.263 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.942 -13.091 -26.697 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.415 -11.457 -28.526 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.566 -10.163 -27.353 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.821 -11.845 -29.465 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.838 -9.360 -26.662 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.564 -10.755 -28.758 1.00 0.00 H new ATOM 99 N HIS A 7 -12.261 -12.640 -24.365 1.00 0.00 N ATOM 100 CA HIS A 7 -11.627 -12.409 -23.051 1.00 0.00 C ATOM 101 C HIS A 7 -10.407 -11.481 -23.199 1.00 0.00 C ATOM 102 O HIS A 7 -9.744 -11.491 -24.241 1.00 0.00 O ATOM 103 CB HIS A 7 -11.210 -13.762 -22.408 1.00 0.00 C ATOM 104 CG HIS A 7 -10.159 -14.536 -23.169 1.00 0.00 C ATOM 105 ND1 HIS A 7 -8.813 -14.374 -22.949 1.00 0.00 N ATOM 106 CD2 HIS A 7 -10.256 -15.477 -24.139 1.00 0.00 C ATOM 107 CE1 HIS A 7 -8.132 -15.176 -23.744 1.00 0.00 C ATOM 108 NE2 HIS A 7 -8.984 -15.851 -24.477 1.00 0.00 N ATOM 0 H HIS A 7 -12.196 -13.608 -24.680 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.350 -11.923 -22.396 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.839 -13.569 -21.401 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.097 -14.387 -22.307 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.170 -15.861 -24.567 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.056 -15.262 -23.784 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.738 -16.543 -25.185 1.00 0.00 H new ATOM 117 N HIS A 8 -10.104 -10.699 -22.153 1.00 0.00 N ATOM 118 CA HIS A 8 -9.011 -9.713 -22.189 1.00 0.00 C ATOM 119 C HIS A 8 -8.336 -9.558 -20.807 1.00 0.00 C ATOM 120 O HIS A 8 -7.136 -9.837 -20.679 1.00 0.00 O ATOM 121 CB HIS A 8 -9.503 -8.348 -22.763 1.00 0.00 C ATOM 122 CG HIS A 8 -10.769 -7.800 -22.146 1.00 0.00 C ATOM 123 ND1 HIS A 8 -10.771 -6.864 -21.140 1.00 0.00 N ATOM 124 CD2 HIS A 8 -12.079 -8.040 -22.427 1.00 0.00 C ATOM 125 CE1 HIS A 8 -12.012 -6.548 -20.830 1.00 0.00 C ATOM 126 NE2 HIS A 8 -12.825 -7.247 -21.592 1.00 0.00 N ATOM 0 H HIS A 8 -10.604 -10.730 -21.265 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.246 -10.089 -22.868 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.709 -7.612 -22.634 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.662 -8.461 -23.835 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.460 -8.726 -23.169 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.312 -5.835 -20.077 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.844 -7.206 -21.566 1.00 0.00 H new ATOM 135 N SER A 9 -9.114 -9.140 -19.777 1.00 0.00 N ATOM 136 CA SER A 9 -8.590 -8.840 -18.412 1.00 0.00 C ATOM 137 C SER A 9 -7.502 -7.727 -18.471 1.00 0.00 C ATOM 138 O SER A 9 -7.471 -6.951 -19.432 1.00 0.00 O ATOM 139 CB SER A 9 -8.080 -10.153 -17.744 1.00 0.00 C ATOM 140 OG SER A 9 -7.680 -9.952 -16.400 1.00 0.00 O ATOM 0 H SER A 9 -10.121 -9.000 -19.865 1.00 0.00 H new ATOM 0 HA SER A 9 -9.393 -8.449 -17.788 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.868 -10.905 -17.778 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.240 -10.546 -18.316 1.00 0.00 H new ATOM 0 HG SER A 9 -7.370 -10.801 -16.021 1.00 0.00 H new ATOM 146 N HIS A 10 -6.654 -7.613 -17.427 1.00 0.00 N ATOM 147 CA HIS A 10 -5.471 -6.727 -17.436 1.00 0.00 C ATOM 148 C HIS A 10 -4.233 -7.550 -17.035 1.00 0.00 C ATOM 149 O HIS A 10 -3.387 -7.848 -17.878 1.00 0.00 O ATOM 150 CB HIS A 10 -5.658 -5.527 -16.478 1.00 0.00 C ATOM 151 CG HIS A 10 -6.809 -4.622 -16.811 1.00 0.00 C ATOM 152 ND1 HIS A 10 -6.710 -3.561 -17.684 1.00 0.00 N ATOM 153 CD2 HIS A 10 -8.090 -4.625 -16.375 1.00 0.00 C ATOM 154 CE1 HIS A 10 -7.876 -2.952 -17.767 1.00 0.00 C ATOM 155 NE2 HIS A 10 -8.728 -3.581 -16.986 1.00 0.00 N ATOM 0 H HIS A 10 -6.770 -8.131 -16.556 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.338 -6.321 -18.439 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.796 -5.908 -15.466 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.741 -4.938 -16.475 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.527 -5.322 -15.675 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.095 -2.085 -18.373 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.708 -3.330 -16.857 1.00 0.00 H new ATOM 164 N MET A 11 -4.172 -7.960 -15.752 1.00 0.00 N ATOM 165 CA MET A 11 -3.018 -8.707 -15.191 1.00 0.00 C ATOM 166 C MET A 11 -3.324 -9.241 -13.774 1.00 0.00 C ATOM 167 O MET A 11 -2.767 -10.266 -13.373 1.00 0.00 O ATOM 168 CB MET A 11 -1.748 -7.800 -15.135 1.00 0.00 C ATOM 169 CG MET A 11 -0.463 -8.508 -14.660 1.00 0.00 C ATOM 170 SD MET A 11 0.910 -7.375 -14.373 1.00 0.00 S ATOM 171 CE MET A 11 0.261 -6.370 -13.027 1.00 0.00 C ATOM 0 H MET A 11 -4.915 -7.786 -15.075 1.00 0.00 H new ATOM 0 HA MET A 11 -2.832 -9.554 -15.851 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.571 -7.386 -16.128 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.949 -6.960 -14.470 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.675 -9.052 -13.739 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.166 -9.246 -15.405 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.085 -5.880 -12.509 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.414 -5.615 -13.430 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.281 -7.006 -12.327 1.00 0.00 H new ATOM 181 N ALA A 12 -4.203 -8.521 -13.045 1.00 0.00 N ATOM 182 CA ALA A 12 -4.482 -8.747 -11.609 1.00 0.00 C ATOM 183 C ALA A 12 -4.803 -10.219 -11.305 1.00 0.00 C ATOM 184 O ALA A 12 -5.846 -10.731 -11.724 1.00 0.00 O ATOM 185 CB ALA A 12 -5.628 -7.846 -11.149 1.00 0.00 C ATOM 0 H ALA A 12 -4.747 -7.755 -13.442 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.578 -8.494 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.825 -8.020 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.353 -6.802 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.524 -8.073 -11.727 1.00 0.00 H new ATOM 191 N ASP A 13 -3.876 -10.866 -10.582 1.00 0.00 N ATOM 192 CA ASP A 13 -3.878 -12.321 -10.326 1.00 0.00 C ATOM 193 C ASP A 13 -5.115 -12.744 -9.501 1.00 0.00 C ATOM 194 O ASP A 13 -5.464 -12.048 -8.539 1.00 0.00 O ATOM 195 CB ASP A 13 -2.585 -12.721 -9.574 1.00 0.00 C ATOM 196 CG ASP A 13 -1.299 -12.191 -10.233 1.00 0.00 C ATOM 197 OD1 ASP A 13 -0.920 -11.024 -9.971 1.00 0.00 O ATOM 198 OD2 ASP A 13 -0.651 -12.934 -10.998 1.00 0.00 O ATOM 0 H ASP A 13 -3.087 -10.386 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.919 -12.835 -11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.639 -12.348 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.531 -13.808 -9.514 1.00 0.00 H new ATOM 203 N PRO A 14 -5.798 -13.888 -9.867 1.00 0.00 N ATOM 204 CA PRO A 14 -6.962 -14.413 -9.112 1.00 0.00 C ATOM 205 C PRO A 14 -6.536 -15.008 -7.755 1.00 0.00 C ATOM 206 O PRO A 14 -6.445 -16.231 -7.576 1.00 0.00 O ATOM 207 CB PRO A 14 -7.554 -15.482 -10.060 1.00 0.00 C ATOM 208 CG PRO A 14 -6.384 -15.957 -10.860 1.00 0.00 C ATOM 209 CD PRO A 14 -5.498 -14.745 -11.045 1.00 0.00 C ATOM 0 HA PRO A 14 -7.686 -13.641 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.012 -16.299 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.329 -15.060 -10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.853 -16.755 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.704 -16.359 -11.821 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.445 -15.023 -11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.720 -14.229 -11.979 1.00 0.00 H new ATOM 217 N GLY A 15 -6.273 -14.112 -6.818 1.00 0.00 N ATOM 218 CA GLY A 15 -5.770 -14.442 -5.502 1.00 0.00 C ATOM 219 C GLY A 15 -5.754 -13.169 -4.675 1.00 0.00 C ATOM 220 O GLY A 15 -5.675 -12.063 -5.249 1.00 0.00 O ATOM 0 H GLY A 15 -6.408 -13.111 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.401 -15.195 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.768 -14.864 -5.572 1.00 0.00 H new ATOM 224 N ARG A 16 -5.821 -13.306 -3.350 1.00 0.00 N ATOM 225 CA ARG A 16 -5.976 -12.155 -2.439 1.00 0.00 C ATOM 226 C ARG A 16 -4.818 -11.133 -2.572 1.00 0.00 C ATOM 227 O ARG A 16 -5.067 -9.938 -2.509 1.00 0.00 O ATOM 228 CB ARG A 16 -6.119 -12.645 -0.976 1.00 0.00 C ATOM 229 CG ARG A 16 -4.849 -13.282 -0.377 1.00 0.00 C ATOM 230 CD ARG A 16 -5.082 -13.968 0.973 1.00 0.00 C ATOM 231 NE ARG A 16 -3.816 -14.351 1.620 1.00 0.00 N ATOM 232 CZ ARG A 16 -3.706 -15.177 2.674 1.00 0.00 C ATOM 233 NH1 ARG A 16 -4.782 -15.738 3.227 1.00 0.00 N ATOM 234 NH2 ARG A 16 -2.513 -15.418 3.197 1.00 0.00 N ATOM 0 H ARG A 16 -5.771 -14.207 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.887 -11.631 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.413 -11.801 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.929 -13.373 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.452 -14.013 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.089 -12.510 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.637 -13.298 1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.698 -14.855 0.828 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.955 -13.959 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.710 -15.543 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.677 -16.362 4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.683 -14.977 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.424 -16.044 3.997 1.00 0.00 H new ATOM 248 N GLU A 17 -3.577 -11.621 -2.813 1.00 0.00 N ATOM 249 CA GLU A 17 -2.350 -10.793 -2.831 1.00 0.00 C ATOM 250 C GLU A 17 -2.305 -9.828 -4.028 1.00 0.00 C ATOM 251 O GLU A 17 -2.149 -8.626 -3.839 1.00 0.00 O ATOM 252 CB GLU A 17 -1.093 -11.705 -2.845 1.00 0.00 C ATOM 253 CG GLU A 17 0.248 -10.946 -2.820 1.00 0.00 C ATOM 254 CD GLU A 17 1.461 -11.880 -2.790 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.716 -12.550 -3.807 1.00 0.00 O ATOM 256 OE2 GLU A 17 2.174 -11.939 -1.768 1.00 0.00 O ATOM 0 H GLU A 17 -3.400 -12.608 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.361 -10.186 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.134 -12.372 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.125 -12.332 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.312 -10.303 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.275 -10.295 -1.946 1.00 0.00 H new ATOM 263 N GLY A 18 -2.400 -10.377 -5.256 1.00 0.00 N ATOM 264 CA GLY A 18 -2.393 -9.574 -6.489 1.00 0.00 C ATOM 265 C GLY A 18 -3.467 -8.496 -6.526 1.00 0.00 C ATOM 266 O GLY A 18 -3.215 -7.376 -6.970 1.00 0.00 O ATOM 0 H GLY A 18 -2.483 -11.381 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.416 -9.104 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.527 -10.237 -7.344 1.00 0.00 H new ATOM 270 N HIS A 19 -4.654 -8.837 -5.996 1.00 0.00 N ATOM 271 CA HIS A 19 -5.800 -7.908 -5.924 1.00 0.00 C ATOM 272 C HIS A 19 -5.568 -6.841 -4.833 1.00 0.00 C ATOM 273 O HIS A 19 -5.951 -5.677 -4.997 1.00 0.00 O ATOM 274 CB HIS A 19 -7.118 -8.684 -5.668 1.00 0.00 C ATOM 275 CG HIS A 19 -7.551 -9.580 -6.809 1.00 0.00 C ATOM 276 ND1 HIS A 19 -7.364 -9.471 -8.149 1.00 0.00 N flip ATOM 277 CD2 HIS A 19 -8.320 -10.711 -6.632 1.00 0.00 C flip ATOM 278 CE1 HIS A 19 -8.022 -10.518 -8.739 1.00 0.00 C flip ATOM 279 NE2 HIS A 19 -8.588 -11.251 -7.805 1.00 0.00 N flip ATOM 0 H HIS A 19 -4.848 -9.760 -5.606 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.889 -7.398 -6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.999 -9.292 -4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.913 -7.967 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.652 -11.096 -5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.068 -10.711 -9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.140 -12.094 -7.961 1.00 0.00 H new ATOM 288 N LEU A 20 -4.936 -7.270 -3.729 1.00 0.00 N ATOM 289 CA LEU A 20 -4.562 -6.401 -2.597 1.00 0.00 C ATOM 290 C LEU A 20 -3.557 -5.325 -3.069 1.00 0.00 C ATOM 291 O LEU A 20 -3.723 -4.139 -2.759 1.00 0.00 O ATOM 292 CB LEU A 20 -3.970 -7.286 -1.447 1.00 0.00 C ATOM 293 CG LEU A 20 -3.886 -6.677 -0.006 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.688 -5.733 0.175 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.211 -5.983 0.379 1.00 0.00 C ATOM 0 H LEU A 20 -4.666 -8.244 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.440 -5.882 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.566 -8.197 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.963 -7.583 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.724 -7.511 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.683 -5.343 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.763 -6.280 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.767 -4.906 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.126 -5.569 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.420 -5.180 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.023 -6.710 0.353 1.00 0.00 H new ATOM 307 N GLU A 21 -2.550 -5.773 -3.849 1.00 0.00 N ATOM 308 CA GLU A 21 -1.527 -4.911 -4.469 1.00 0.00 C ATOM 309 C GLU A 21 -2.187 -3.861 -5.373 1.00 0.00 C ATOM 310 O GLU A 21 -1.844 -2.675 -5.307 1.00 0.00 O ATOM 311 CB GLU A 21 -0.516 -5.778 -5.287 1.00 0.00 C ATOM 312 CG GLU A 21 0.472 -4.959 -6.150 1.00 0.00 C ATOM 313 CD GLU A 21 1.510 -5.808 -6.891 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.153 -6.440 -7.903 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.695 -5.843 -6.483 1.00 0.00 O ATOM 0 H GLU A 21 -2.425 -6.761 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.983 -4.392 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.053 -6.400 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.075 -6.452 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.094 -4.379 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.992 -4.246 -5.510 1.00 0.00 H new ATOM 322 N GLN A 22 -3.161 -4.320 -6.180 1.00 0.00 N ATOM 323 CA GLN A 22 -3.908 -3.460 -7.109 1.00 0.00 C ATOM 324 C GLN A 22 -4.655 -2.338 -6.377 1.00 0.00 C ATOM 325 O GLN A 22 -4.694 -1.201 -6.870 1.00 0.00 O ATOM 326 CB GLN A 22 -4.905 -4.285 -7.953 1.00 0.00 C ATOM 327 CG GLN A 22 -4.262 -5.215 -8.988 1.00 0.00 C ATOM 328 CD GLN A 22 -3.377 -4.478 -9.994 1.00 0.00 C ATOM 329 OE1 GLN A 22 -2.173 -4.343 -9.785 1.00 0.00 O ATOM 330 NE2 GLN A 22 -3.971 -3.978 -11.065 1.00 0.00 N ATOM 0 H GLN A 22 -3.450 -5.298 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.173 -3.004 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.519 -4.884 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.575 -3.598 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.665 -5.966 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.047 -5.747 -9.526 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.973 -4.112 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.427 -3.458 -11.754 1.00 0.00 H new ATOM 339 N ARG A 23 -5.247 -2.652 -5.202 1.00 0.00 N ATOM 340 CA ARG A 23 -5.984 -1.657 -4.413 1.00 0.00 C ATOM 341 C ARG A 23 -5.023 -0.601 -3.834 1.00 0.00 C ATOM 342 O ARG A 23 -5.337 0.587 -3.862 1.00 0.00 O ATOM 343 CB ARG A 23 -6.794 -2.335 -3.271 1.00 0.00 C ATOM 344 CG ARG A 23 -7.938 -1.451 -2.703 1.00 0.00 C ATOM 345 CD ARG A 23 -9.017 -1.149 -3.768 1.00 0.00 C ATOM 346 NE ARG A 23 -10.090 -0.254 -3.285 1.00 0.00 N ATOM 347 CZ ARG A 23 -11.067 0.264 -4.066 1.00 0.00 C ATOM 348 NH1 ARG A 23 -11.125 -0.012 -5.363 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.983 1.067 -3.550 1.00 0.00 N ATOM 0 H ARG A 23 -5.225 -3.583 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.688 -1.159 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.219 -3.267 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.113 -2.596 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.398 -1.955 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.523 -0.514 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.541 -0.696 -4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.460 -2.088 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.095 -0.010 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.426 -0.623 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.868 0.387 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.956 1.300 -2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.716 1.453 -4.145 1.00 0.00 H new ATOM 363 N ILE A 24 -3.843 -1.049 -3.333 1.00 0.00 N ATOM 364 CA ILE A 24 -2.821 -0.140 -2.773 1.00 0.00 C ATOM 365 C ILE A 24 -2.327 0.844 -3.861 1.00 0.00 C ATOM 366 O ILE A 24 -2.293 2.056 -3.620 1.00 0.00 O ATOM 367 CB ILE A 24 -1.602 -0.913 -2.141 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.073 -1.881 -1.008 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.530 0.076 -1.604 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.959 -2.704 -0.380 1.00 0.00 C ATOM 0 H ILE A 24 -3.580 -2.034 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.297 0.417 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.148 -1.512 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.561 -1.297 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.824 -2.559 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.299 -0.485 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.163 0.695 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.973 0.713 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.375 -3.347 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.485 -3.318 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.218 -2.037 0.060 1.00 0.00 H new ATOM 382 N LEU A 25 -1.993 0.312 -5.066 1.00 0.00 N ATOM 383 CA LEU A 25 -1.612 1.124 -6.249 1.00 0.00 C ATOM 384 C LEU A 25 -2.662 2.207 -6.566 1.00 0.00 C ATOM 385 O LEU A 25 -2.308 3.363 -6.790 1.00 0.00 O ATOM 386 CB LEU A 25 -1.415 0.200 -7.494 1.00 0.00 C ATOM 387 CG LEU A 25 -0.185 -0.760 -7.447 1.00 0.00 C ATOM 388 CD1 LEU A 25 -0.185 -1.754 -8.630 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.135 0.039 -7.394 1.00 0.00 C ATOM 0 H LEU A 25 -1.981 -0.692 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.675 1.627 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.315 -0.401 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.325 0.830 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.266 -1.348 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.687 -2.404 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.091 -2.359 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.151 -1.202 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.977 -0.652 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.215 0.668 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.145 0.666 -6.502 1.00 0.00 H new ATOM 401 N GLN A 26 -3.952 1.814 -6.514 1.00 0.00 N ATOM 402 CA GLN A 26 -5.079 2.706 -6.840 1.00 0.00 C ATOM 403 C GLN A 26 -5.172 3.864 -5.824 1.00 0.00 C ATOM 404 O GLN A 26 -5.140 5.030 -6.210 1.00 0.00 O ATOM 405 CB GLN A 26 -6.424 1.920 -6.862 1.00 0.00 C ATOM 406 CG GLN A 26 -7.637 2.772 -7.313 1.00 0.00 C ATOM 407 CD GLN A 26 -8.998 2.116 -7.049 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.130 0.894 -7.061 1.00 0.00 O ATOM 409 NE2 GLN A 26 -10.014 2.925 -6.796 1.00 0.00 N ATOM 0 H GLN A 26 -4.238 0.873 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.897 3.118 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.324 1.065 -7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.620 1.525 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.603 3.733 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.546 2.978 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.873 3.935 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.938 2.538 -6.604 1.00 0.00 H new ATOM 418 N VAL A 27 -5.248 3.505 -4.524 1.00 0.00 N ATOM 419 CA VAL A 27 -5.406 4.461 -3.405 1.00 0.00 C ATOM 420 C VAL A 27 -4.282 5.519 -3.404 1.00 0.00 C ATOM 421 O VAL A 27 -4.554 6.724 -3.285 1.00 0.00 O ATOM 422 CB VAL A 27 -5.438 3.710 -2.014 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.487 4.699 -0.822 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.624 2.718 -1.946 1.00 0.00 C ATOM 0 H VAL A 27 -5.201 2.533 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.359 4.970 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.509 3.146 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.508 4.140 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.605 5.338 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.383 5.315 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.623 2.215 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.561 3.261 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.525 1.978 -2.740 1.00 0.00 H new ATOM 434 N LEU A 28 -3.031 5.050 -3.581 1.00 0.00 N ATOM 435 CA LEU A 28 -1.840 5.919 -3.606 1.00 0.00 C ATOM 436 C LEU A 28 -1.867 6.884 -4.813 1.00 0.00 C ATOM 437 O LEU A 28 -1.410 8.027 -4.694 1.00 0.00 O ATOM 438 CB LEU A 28 -0.544 5.068 -3.631 1.00 0.00 C ATOM 439 CG LEU A 28 -0.268 4.171 -2.387 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.001 3.328 -2.588 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.163 4.999 -1.099 1.00 0.00 C ATOM 0 H LEU A 28 -2.819 4.061 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.852 6.518 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.576 4.427 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.303 5.742 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.119 3.499 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.171 2.711 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.877 2.687 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.856 3.987 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.030 4.336 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.654 5.715 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.098 5.535 -0.934 1.00 0.00 H new ATOM 453 N THR A 29 -2.393 6.409 -5.969 1.00 0.00 N ATOM 454 CA THR A 29 -2.555 7.242 -7.178 1.00 0.00 C ATOM 455 C THR A 29 -3.595 8.354 -6.948 1.00 0.00 C ATOM 456 O THR A 29 -3.337 9.523 -7.269 1.00 0.00 O ATOM 457 CB THR A 29 -2.966 6.384 -8.434 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.975 5.378 -8.678 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.116 7.241 -9.708 1.00 0.00 C ATOM 0 H THR A 29 -2.713 5.447 -6.085 1.00 0.00 H new ATOM 0 HA THR A 29 -1.584 7.696 -7.378 1.00 0.00 H new ATOM 0 HB THR A 29 -3.933 5.934 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.072 4.657 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.400 6.603 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.886 7.996 -9.550 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.168 7.731 -9.931 1.00 0.00 H new ATOM 467 N GLU A 30 -4.753 7.992 -6.359 1.00 0.00 N ATOM 468 CA GLU A 30 -5.891 8.913 -6.184 1.00 0.00 C ATOM 469 C GLU A 30 -5.562 10.013 -5.170 1.00 0.00 C ATOM 470 O GLU A 30 -5.935 11.174 -5.369 1.00 0.00 O ATOM 471 CB GLU A 30 -7.150 8.126 -5.742 1.00 0.00 C ATOM 472 CG GLU A 30 -7.590 7.043 -6.742 1.00 0.00 C ATOM 473 CD GLU A 30 -8.791 6.233 -6.239 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.610 5.385 -5.339 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.919 6.448 -6.728 1.00 0.00 O ATOM 0 H GLU A 30 -4.924 7.055 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.092 9.392 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.954 7.658 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.972 8.827 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.845 7.512 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.755 6.369 -6.933 1.00 0.00 H new ATOM 482 N ALA A 31 -4.872 9.634 -4.081 1.00 0.00 N ATOM 483 CA ALA A 31 -4.338 10.588 -3.100 1.00 0.00 C ATOM 484 C ALA A 31 -3.236 11.449 -3.738 1.00 0.00 C ATOM 485 O ALA A 31 -3.144 12.657 -3.476 1.00 0.00 O ATOM 486 CB ALA A 31 -3.798 9.841 -1.868 1.00 0.00 C ATOM 0 H ALA A 31 -4.670 8.659 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.145 11.246 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.405 10.560 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.604 9.270 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.002 9.163 -2.174 1.00 0.00 H new ATOM 492 N GLY A 32 -2.414 10.798 -4.594 1.00 0.00 N ATOM 493 CA GLY A 32 -1.276 11.444 -5.256 1.00 0.00 C ATOM 494 C GLY A 32 -0.253 11.962 -4.258 1.00 0.00 C ATOM 495 O GLY A 32 0.357 13.022 -4.461 1.00 0.00 O ATOM 0 H GLY A 32 -2.527 9.814 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.797 10.733 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.635 12.271 -5.869 1.00 0.00 H new ATOM 499 N SER A 33 -0.061 11.182 -3.187 1.00 0.00 N ATOM 500 CA SER A 33 0.670 11.614 -1.992 1.00 0.00 C ATOM 501 C SER A 33 1.038 10.380 -1.131 1.00 0.00 C ATOM 502 O SER A 33 0.358 9.345 -1.220 1.00 0.00 O ATOM 503 CB SER A 33 -0.220 12.607 -1.178 1.00 0.00 C ATOM 504 OG SER A 33 0.497 13.232 -0.124 1.00 0.00 O ATOM 0 H SER A 33 -0.412 10.226 -3.126 1.00 0.00 H new ATOM 0 HA SER A 33 1.591 12.119 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.616 13.370 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.075 12.071 -0.765 1.00 0.00 H new ATOM 0 HG SER A 33 -0.097 13.845 0.357 1.00 0.00 H new ATOM 510 N PRO A 34 2.156 10.444 -0.335 1.00 0.00 N ATOM 511 CA PRO A 34 2.467 9.436 0.711 1.00 0.00 C ATOM 512 C PRO A 34 1.277 9.159 1.664 1.00 0.00 C ATOM 513 O PRO A 34 0.701 10.084 2.238 1.00 0.00 O ATOM 514 CB PRO A 34 3.652 10.084 1.474 1.00 0.00 C ATOM 515 CG PRO A 34 4.342 10.922 0.440 1.00 0.00 C ATOM 516 CD PRO A 34 3.238 11.466 -0.441 1.00 0.00 C ATOM 0 HA PRO A 34 2.694 8.460 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.303 10.690 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.321 9.329 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.908 11.730 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.049 10.328 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.899 12.444 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.573 11.588 -1.471 1.00 0.00 H new ATOM 524 N VAL A 35 0.917 7.878 1.799 1.00 0.00 N ATOM 525 CA VAL A 35 -0.180 7.409 2.664 1.00 0.00 C ATOM 526 C VAL A 35 0.413 6.475 3.733 1.00 0.00 C ATOM 527 O VAL A 35 1.161 5.545 3.400 1.00 0.00 O ATOM 528 CB VAL A 35 -1.281 6.647 1.822 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.363 6.004 2.710 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.920 7.581 0.765 1.00 0.00 C ATOM 0 H VAL A 35 1.387 7.121 1.302 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.662 8.265 3.136 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.771 5.835 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.094 5.494 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.899 5.284 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.863 6.778 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.673 7.031 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.388 8.429 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.149 7.942 0.084 1.00 0.00 H new ATOM 540 N LYS A 36 0.089 6.743 5.012 1.00 0.00 N ATOM 541 CA LYS A 36 0.514 5.887 6.137 1.00 0.00 C ATOM 542 C LYS A 36 -0.135 4.503 6.030 1.00 0.00 C ATOM 543 O LYS A 36 -1.231 4.371 5.485 1.00 0.00 O ATOM 544 CB LYS A 36 0.166 6.549 7.497 1.00 0.00 C ATOM 545 CG LYS A 36 0.940 7.853 7.784 1.00 0.00 C ATOM 546 CD LYS A 36 0.579 8.491 9.148 1.00 0.00 C ATOM 547 CE LYS A 36 -0.872 8.999 9.209 1.00 0.00 C ATOM 548 NZ LYS A 36 -1.200 9.598 10.534 1.00 0.00 N ATOM 0 H LYS A 36 -0.468 7.550 5.293 1.00 0.00 H new ATOM 0 HA LYS A 36 1.596 5.768 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.903 6.762 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.368 5.837 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.010 7.645 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.736 8.571 6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.735 7.757 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.257 9.321 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.029 9.742 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.554 8.173 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.187 9.927 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.075 8.883 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.567 10.403 10.717 1.00 0.00 H new ATOM 562 N LEU A 37 0.563 3.484 6.551 1.00 0.00 N ATOM 563 CA LEU A 37 0.052 2.110 6.599 1.00 0.00 C ATOM 564 C LEU A 37 -1.225 2.032 7.457 1.00 0.00 C ATOM 565 O LEU A 37 -2.207 1.426 7.034 1.00 0.00 O ATOM 566 CB LEU A 37 1.130 1.128 7.120 1.00 0.00 C ATOM 567 CG LEU A 37 0.665 -0.349 7.360 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.053 -0.950 6.134 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.846 -1.240 7.790 1.00 0.00 C ATOM 0 H LEU A 37 1.496 3.590 6.950 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.203 1.812 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.955 1.116 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.525 1.519 8.058 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.061 -0.318 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.354 -1.974 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.936 -0.355 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.623 -0.946 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.494 -2.259 7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.607 -1.237 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.274 -0.855 8.716 1.00 0.00 H new ATOM 581 N ALA A 38 -1.190 2.651 8.651 1.00 0.00 N ATOM 582 CA ALA A 38 -2.383 2.833 9.510 1.00 0.00 C ATOM 583 C ALA A 38 -3.582 3.472 8.754 1.00 0.00 C ATOM 584 O ALA A 38 -4.741 3.169 9.066 1.00 0.00 O ATOM 585 CB ALA A 38 -2.023 3.663 10.743 1.00 0.00 C ATOM 0 H ALA A 38 -0.336 3.040 9.051 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.705 1.839 9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.908 3.790 11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.248 3.151 11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.657 4.640 10.429 1.00 0.00 H new ATOM 591 N GLN A 39 -3.309 4.345 7.753 1.00 0.00 N ATOM 592 CA GLN A 39 -4.360 4.921 6.888 1.00 0.00 C ATOM 593 C GLN A 39 -4.761 3.912 5.787 1.00 0.00 C ATOM 594 O GLN A 39 -5.936 3.803 5.454 1.00 0.00 O ATOM 595 CB GLN A 39 -3.861 6.253 6.256 1.00 0.00 C ATOM 596 CG GLN A 39 -4.923 7.017 5.428 1.00 0.00 C ATOM 597 CD GLN A 39 -4.429 8.349 4.841 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.250 8.520 4.544 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.337 9.292 4.653 1.00 0.00 N ATOM 0 H GLN A 39 -2.367 4.664 7.527 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.240 5.133 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.504 6.905 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.007 6.037 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.261 6.377 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.789 7.211 6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.310 9.122 4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.065 10.189 4.252 1.00 0.00 H new ATOM 608 N LEU A 40 -3.772 3.153 5.260 1.00 0.00 N ATOM 609 CA LEU A 40 -3.995 2.122 4.220 1.00 0.00 C ATOM 610 C LEU A 40 -4.983 1.051 4.716 1.00 0.00 C ATOM 611 O LEU A 40 -5.718 0.482 3.916 1.00 0.00 O ATOM 612 CB LEU A 40 -2.653 1.449 3.780 1.00 0.00 C ATOM 613 CG LEU A 40 -1.719 2.301 2.860 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.322 1.653 2.711 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.378 2.532 1.478 1.00 0.00 C ATOM 0 H LEU A 40 -2.796 3.239 5.544 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.423 2.624 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.096 1.179 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.890 0.521 3.261 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.576 3.271 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.300 2.273 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.146 1.568 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.426 0.661 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.712 3.127 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.564 1.571 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.322 3.061 1.609 1.00 0.00 H new ATOM 627 N VAL A 41 -4.971 0.782 6.039 1.00 0.00 N ATOM 628 CA VAL A 41 -5.908 -0.171 6.675 1.00 0.00 C ATOM 629 C VAL A 41 -7.370 0.186 6.366 1.00 0.00 C ATOM 630 O VAL A 41 -8.109 -0.639 5.813 1.00 0.00 O ATOM 631 CB VAL A 41 -5.688 -0.274 8.232 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.553 -1.391 8.856 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.204 -0.481 8.576 1.00 0.00 C ATOM 0 H VAL A 41 -4.318 1.215 6.692 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.692 -1.149 6.244 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.006 0.675 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.375 -1.432 9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.607 -1.182 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.289 -2.349 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.087 -0.548 9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.849 -1.403 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.622 0.361 8.200 1.00 0.00 H new ATOM 643 N LYS A 42 -7.751 1.439 6.663 1.00 0.00 N ATOM 644 CA LYS A 42 -9.131 1.903 6.471 1.00 0.00 C ATOM 645 C LYS A 42 -9.459 2.142 4.977 1.00 0.00 C ATOM 646 O LYS A 42 -10.533 1.737 4.523 1.00 0.00 O ATOM 647 CB LYS A 42 -9.430 3.157 7.337 1.00 0.00 C ATOM 648 CG LYS A 42 -8.497 4.357 7.096 1.00 0.00 C ATOM 649 CD LYS A 42 -8.871 5.591 7.941 1.00 0.00 C ATOM 650 CE LYS A 42 -7.930 6.781 7.692 1.00 0.00 C ATOM 651 NZ LYS A 42 -8.303 7.958 8.520 1.00 0.00 N ATOM 0 H LYS A 42 -7.121 2.148 7.037 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.792 1.106 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.457 3.472 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.370 2.876 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.472 4.065 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.524 4.625 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.895 5.887 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.844 5.326 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.905 6.488 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.959 7.054 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.647 8.741 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.273 8.253 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.251 7.704 9.527 1.00 0.00 H new ATOM 665 N GLU A 43 -8.549 2.801 4.215 1.00 0.00 N ATOM 666 CA GLU A 43 -8.742 3.072 2.767 1.00 0.00 C ATOM 667 C GLU A 43 -8.922 1.785 1.940 1.00 0.00 C ATOM 668 O GLU A 43 -9.909 1.630 1.213 1.00 0.00 O ATOM 669 CB GLU A 43 -7.537 3.873 2.199 1.00 0.00 C ATOM 670 CG GLU A 43 -7.222 5.194 2.925 1.00 0.00 C ATOM 671 CD GLU A 43 -8.433 6.123 3.107 1.00 0.00 C ATOM 672 OE1 GLU A 43 -8.935 6.657 2.101 1.00 0.00 O ATOM 673 OE2 GLU A 43 -8.874 6.340 4.260 1.00 0.00 O ATOM 0 H GLU A 43 -7.667 3.157 4.584 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.658 3.656 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.651 3.238 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.731 4.092 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.805 4.965 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.452 5.726 2.367 1.00 0.00 H new ATOM 680 N CYS A 44 -7.954 0.870 2.063 1.00 0.00 N ATOM 681 CA CYS A 44 -7.950 -0.406 1.325 1.00 0.00 C ATOM 682 C CYS A 44 -8.968 -1.398 1.925 1.00 0.00 C ATOM 683 O CYS A 44 -9.325 -2.382 1.277 1.00 0.00 O ATOM 684 CB CYS A 44 -6.522 -0.998 1.339 1.00 0.00 C ATOM 685 SG CYS A 44 -6.290 -2.472 0.323 1.00 0.00 S ATOM 0 H CYS A 44 -7.148 0.990 2.677 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.250 -0.222 0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.825 -0.231 1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.257 -1.240 2.368 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.407 -3.133 0.256 1.00 0.00 H new ATOM 691 N GLN A 45 -9.417 -1.106 3.176 1.00 0.00 N ATOM 692 CA GLN A 45 -10.431 -1.892 3.928 1.00 0.00 C ATOM 693 C GLN A 45 -9.933 -3.310 4.272 1.00 0.00 C ATOM 694 O GLN A 45 -10.726 -4.215 4.549 1.00 0.00 O ATOM 695 CB GLN A 45 -11.809 -1.924 3.184 1.00 0.00 C ATOM 696 CG GLN A 45 -12.462 -0.534 2.972 1.00 0.00 C ATOM 697 CD GLN A 45 -13.914 -0.593 2.466 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.661 -1.524 2.775 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.321 0.403 1.694 1.00 0.00 N ATOM 0 H GLN A 45 -9.076 -0.300 3.700 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.588 -1.377 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.671 -2.398 2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.498 -2.552 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.439 0.014 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.863 0.032 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.679 1.159 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.277 0.414 1.337 1.00 0.00 H new ATOM 708 N ALA A 46 -8.606 -3.466 4.306 1.00 0.00 N ATOM 709 CA ALA A 46 -7.933 -4.743 4.582 1.00 0.00 C ATOM 710 C ALA A 46 -7.144 -4.644 5.906 1.00 0.00 C ATOM 711 O ALA A 46 -6.719 -3.549 6.285 1.00 0.00 O ATOM 712 CB ALA A 46 -7.000 -5.096 3.415 1.00 0.00 C ATOM 0 H ALA A 46 -7.957 -2.697 4.140 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.676 -5.534 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.502 -6.043 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.582 -5.184 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.253 -4.311 3.296 1.00 0.00 H new ATOM 718 N PRO A 47 -6.959 -5.786 6.649 1.00 0.00 N ATOM 719 CA PRO A 47 -6.119 -5.819 7.872 1.00 0.00 C ATOM 720 C PRO A 47 -4.655 -5.416 7.578 1.00 0.00 C ATOM 721 O PRO A 47 -4.085 -5.824 6.556 1.00 0.00 O ATOM 722 CB PRO A 47 -6.215 -7.299 8.352 1.00 0.00 C ATOM 723 CG PRO A 47 -6.677 -8.065 7.155 1.00 0.00 C ATOM 724 CD PRO A 47 -7.566 -7.118 6.384 1.00 0.00 C ATOM 0 HA PRO A 47 -6.459 -5.108 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.250 -7.663 8.705 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.916 -7.401 9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.832 -8.391 6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.222 -8.962 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.575 -7.351 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.599 -7.165 6.729 1.00 0.00 H new ATOM 732 N LYS A 48 -4.094 -4.580 8.471 1.00 0.00 N ATOM 733 CA LYS A 48 -2.687 -4.126 8.440 1.00 0.00 C ATOM 734 C LYS A 48 -1.678 -5.278 8.239 1.00 0.00 C ATOM 735 O LYS A 48 -0.650 -5.085 7.591 1.00 0.00 O ATOM 736 CB LYS A 48 -2.367 -3.352 9.744 1.00 0.00 C ATOM 737 CG LYS A 48 -1.006 -2.625 9.744 1.00 0.00 C ATOM 738 CD LYS A 48 -0.827 -1.656 10.937 1.00 0.00 C ATOM 739 CE LYS A 48 -0.892 -2.355 12.302 1.00 0.00 C ATOM 740 NZ LYS A 48 0.153 -3.407 12.438 1.00 0.00 N ATOM 0 H LYS A 48 -4.618 -4.190 9.255 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.579 -3.472 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.155 -2.619 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.391 -4.051 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.207 -3.366 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.900 -2.067 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.132 -1.148 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.600 -0.889 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.769 -1.616 13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.877 -2.803 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.142 -3.784 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.039 -4.176 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.087 -2.996 12.237 1.00 0.00 H new ATOM 754 N ARG A 49 -1.999 -6.469 8.779 1.00 0.00 N ATOM 755 CA ARG A 49 -1.164 -7.682 8.621 1.00 0.00 C ATOM 756 C ARG A 49 -1.006 -8.058 7.125 1.00 0.00 C ATOM 757 O ARG A 49 0.112 -8.295 6.651 1.00 0.00 O ATOM 758 CB ARG A 49 -1.763 -8.865 9.449 1.00 0.00 C ATOM 759 CG ARG A 49 -3.129 -9.394 8.953 1.00 0.00 C ATOM 760 CD ARG A 49 -3.739 -10.473 9.863 1.00 0.00 C ATOM 761 NE ARG A 49 -4.176 -9.934 11.162 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.936 -10.598 12.054 1.00 0.00 C ATOM 763 NH1 ARG A 49 -5.348 -11.843 11.812 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.297 -10.000 13.180 1.00 0.00 N ATOM 0 H ARG A 49 -2.840 -6.621 9.335 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.168 -7.469 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.049 -9.689 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.871 -8.544 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.826 -8.559 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.008 -9.803 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.590 -10.931 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.005 -11.261 10.029 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.881 -8.988 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.088 -12.306 10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.923 -12.332 12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.999 -9.042 13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.872 -10.497 13.860 1.00 0.00 H new ATOM 778 N GLU A 50 -2.137 -8.045 6.391 1.00 0.00 N ATOM 779 CA GLU A 50 -2.194 -8.391 4.968 1.00 0.00 C ATOM 780 C GLU A 50 -1.440 -7.342 4.126 1.00 0.00 C ATOM 781 O GLU A 50 -0.564 -7.689 3.318 1.00 0.00 O ATOM 782 CB GLU A 50 -3.686 -8.494 4.535 1.00 0.00 C ATOM 783 CG GLU A 50 -3.923 -8.863 3.059 1.00 0.00 C ATOM 784 CD GLU A 50 -3.299 -10.211 2.653 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.970 -11.254 2.775 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.137 -10.233 2.218 1.00 0.00 O ATOM 0 H GLU A 50 -3.044 -7.790 6.781 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.707 -9.352 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.178 -9.239 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.171 -7.539 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.996 -8.897 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.512 -8.077 2.426 1.00 0.00 H new ATOM 793 N LEU A 51 -1.771 -6.062 4.378 1.00 0.00 N ATOM 794 CA LEU A 51 -1.180 -4.907 3.676 1.00 0.00 C ATOM 795 C LEU A 51 0.347 -4.886 3.794 1.00 0.00 C ATOM 796 O LEU A 51 1.026 -4.852 2.790 1.00 0.00 O ATOM 797 CB LEU A 51 -1.744 -3.601 4.264 1.00 0.00 C ATOM 798 CG LEU A 51 -3.278 -3.432 4.165 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.741 -2.292 5.065 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.728 -3.203 2.709 1.00 0.00 C ATOM 0 H LEU A 51 -2.462 -5.798 5.080 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.439 -4.996 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.457 -3.542 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.270 -2.761 3.757 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.743 -4.357 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.823 -2.183 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.472 -2.512 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.259 -1.365 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.811 -3.088 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.256 -2.301 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.435 -4.058 2.099 1.00 0.00 H new ATOM 812 N ASN A 52 0.834 -4.940 5.050 1.00 0.00 N ATOM 813 CA ASN A 52 2.265 -4.864 5.410 1.00 0.00 C ATOM 814 C ASN A 52 3.118 -5.864 4.612 1.00 0.00 C ATOM 815 O ASN A 52 4.129 -5.474 4.013 1.00 0.00 O ATOM 816 CB ASN A 52 2.424 -5.097 6.938 1.00 0.00 C ATOM 817 CG ASN A 52 3.871 -5.044 7.435 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.532 -6.071 7.567 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.373 -3.845 7.707 1.00 0.00 N ATOM 0 H ASN A 52 0.227 -5.040 5.864 1.00 0.00 H new ATOM 0 HA ASN A 52 2.629 -3.869 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.841 -4.346 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.000 -6.069 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.334 -3.757 8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.797 -3.012 7.587 1.00 0.00 H new ATOM 826 N GLN A 53 2.671 -7.140 4.585 1.00 0.00 N ATOM 827 CA GLN A 53 3.371 -8.217 3.866 1.00 0.00 C ATOM 828 C GLN A 53 3.463 -7.931 2.354 1.00 0.00 C ATOM 829 O GLN A 53 4.556 -7.995 1.772 1.00 0.00 O ATOM 830 CB GLN A 53 2.676 -9.583 4.125 1.00 0.00 C ATOM 831 CG GLN A 53 3.435 -10.791 3.535 1.00 0.00 C ATOM 832 CD GLN A 53 2.866 -12.156 3.951 1.00 0.00 C ATOM 833 OE1 GLN A 53 1.668 -12.312 4.162 1.00 0.00 O ATOM 834 NE2 GLN A 53 3.727 -13.155 4.081 1.00 0.00 N ATOM 0 H GLN A 53 1.821 -7.446 5.059 1.00 0.00 H new ATOM 0 HA GLN A 53 4.390 -8.262 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.565 -9.725 5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.672 -9.555 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.420 -10.720 2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.479 -10.736 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.719 -13.000 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.398 -14.079 4.362 1.00 0.00 H new ATOM 843 N VAL A 54 2.322 -7.571 1.736 1.00 0.00 N ATOM 844 CA VAL A 54 2.248 -7.333 0.282 1.00 0.00 C ATOM 845 C VAL A 54 3.034 -6.054 -0.107 1.00 0.00 C ATOM 846 O VAL A 54 3.662 -6.014 -1.156 1.00 0.00 O ATOM 847 CB VAL A 54 0.756 -7.244 -0.203 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.654 -6.974 -1.725 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.033 -8.518 0.187 1.00 0.00 C ATOM 0 H VAL A 54 1.436 -7.438 2.223 1.00 0.00 H new ATOM 0 HA VAL A 54 2.711 -8.182 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 54 0.304 -6.393 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.395 -6.920 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.144 -6.030 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.141 -7.782 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.062 -8.429 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.432 -9.389 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.025 -8.633 1.271 1.00 0.00 H new ATOM 859 N LEU A 55 2.987 -5.020 0.754 1.00 0.00 N ATOM 860 CA LEU A 55 3.790 -3.783 0.618 1.00 0.00 C ATOM 861 C LEU A 55 5.292 -4.060 0.452 1.00 0.00 C ATOM 862 O LEU A 55 5.950 -3.351 -0.308 1.00 0.00 O ATOM 863 CB LEU A 55 3.561 -2.835 1.833 1.00 0.00 C ATOM 864 CG LEU A 55 2.240 -2.014 1.809 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.971 -1.378 3.180 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.278 -0.943 0.696 1.00 0.00 C ATOM 0 H LEU A 55 2.383 -5.017 1.576 1.00 0.00 H new ATOM 0 HA LEU A 55 3.445 -3.297 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.579 -3.432 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.398 -2.140 1.890 1.00 0.00 H new ATOM 0 HG LEU A 55 1.419 -2.696 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.042 -0.808 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.885 -2.161 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.794 -0.713 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.344 -0.382 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.111 -0.262 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.407 -1.428 -0.272 1.00 0.00 H new ATOM 878 N TYR A 56 5.846 -5.073 1.156 1.00 0.00 N ATOM 879 CA TYR A 56 7.262 -5.447 0.997 1.00 0.00 C ATOM 880 C TYR A 56 7.521 -6.098 -0.363 1.00 0.00 C ATOM 881 O TYR A 56 8.612 -5.938 -0.923 1.00 0.00 O ATOM 882 CB TYR A 56 7.707 -6.388 2.142 1.00 0.00 C ATOM 883 CG TYR A 56 7.672 -5.731 3.531 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.282 -4.491 3.758 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.056 -6.351 4.616 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.272 -3.906 5.009 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.045 -5.764 5.862 1.00 0.00 C ATOM 888 CZ TYR A 56 7.652 -4.549 6.056 1.00 0.00 C ATOM 889 OH TYR A 56 7.637 -3.968 7.305 1.00 0.00 O ATOM 0 H TYR A 56 5.336 -5.640 1.833 1.00 0.00 H new ATOM 0 HA TYR A 56 7.853 -4.533 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.062 -7.267 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.720 -6.737 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.769 -3.983 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.578 -7.310 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.748 -2.949 5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.558 -6.261 6.688 1.00 0.00 H new ATOM 0 HH TYR A 56 7.649 -2.992 7.212 1.00 0.00 H new ATOM 899 N ARG A 57 6.517 -6.811 -0.897 1.00 0.00 N ATOM 900 CA ARG A 57 6.574 -7.377 -2.255 1.00 0.00 C ATOM 901 C ARG A 57 6.650 -6.219 -3.270 1.00 0.00 C ATOM 902 O ARG A 57 7.556 -6.178 -4.109 1.00 0.00 O ATOM 903 CB ARG A 57 5.316 -8.273 -2.516 1.00 0.00 C ATOM 904 CG ARG A 57 4.874 -8.396 -3.996 1.00 0.00 C ATOM 905 CD ARG A 57 3.476 -9.017 -4.169 1.00 0.00 C ATOM 906 NE ARG A 57 2.936 -8.723 -5.509 1.00 0.00 N ATOM 907 CZ ARG A 57 2.403 -9.611 -6.359 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.339 -10.897 -6.042 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.955 -9.197 -7.534 1.00 0.00 N ATOM 0 H ARG A 57 5.647 -7.011 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 57 7.458 -8.005 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.519 -9.273 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.482 -7.873 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.883 -7.406 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.602 -9.002 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.531 -10.096 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.802 -8.626 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 57 2.972 -7.752 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.698 -11.219 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.931 -11.564 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.017 -8.210 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.547 -9.865 -8.189 1.00 0.00 H new ATOM 923 N MET A 58 5.694 -5.265 -3.147 1.00 0.00 N ATOM 924 CA MET A 58 5.573 -4.095 -4.036 1.00 0.00 C ATOM 925 C MET A 58 6.821 -3.199 -3.955 1.00 0.00 C ATOM 926 O MET A 58 7.194 -2.573 -4.934 1.00 0.00 O ATOM 927 CB MET A 58 4.312 -3.265 -3.654 1.00 0.00 C ATOM 928 CG MET A 58 3.007 -4.063 -3.579 1.00 0.00 C ATOM 929 SD MET A 58 1.617 -3.086 -2.957 1.00 0.00 S ATOM 930 CE MET A 58 1.391 -1.886 -4.267 1.00 0.00 C ATOM 0 H MET A 58 4.981 -5.292 -2.418 1.00 0.00 H new ATOM 0 HA MET A 58 5.478 -4.460 -5.059 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.487 -2.792 -2.688 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.189 -2.464 -4.383 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.762 -4.443 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.153 -4.929 -2.933 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.401 -0.881 -3.845 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.199 -1.983 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.436 -2.063 -4.762 1.00 0.00 H new ATOM 940 N LYS A 59 7.435 -3.130 -2.764 1.00 0.00 N ATOM 941 CA LYS A 59 8.698 -2.401 -2.538 1.00 0.00 C ATOM 942 C LYS A 59 9.858 -2.990 -3.365 1.00 0.00 C ATOM 943 O LYS A 59 10.652 -2.244 -3.953 1.00 0.00 O ATOM 944 CB LYS A 59 9.041 -2.419 -1.026 1.00 0.00 C ATOM 945 CG LYS A 59 10.239 -1.534 -0.618 1.00 0.00 C ATOM 946 CD LYS A 59 10.627 -1.724 0.868 1.00 0.00 C ATOM 947 CE LYS A 59 11.790 -0.816 1.303 1.00 0.00 C ATOM 948 NZ LYS A 59 12.254 -1.134 2.687 1.00 0.00 N ATOM 0 H LYS A 59 7.070 -3.580 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 59 8.561 -1.372 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.163 -2.097 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.250 -3.447 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.096 -1.772 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.993 -0.487 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.759 -1.519 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.903 -2.765 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.620 -0.930 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.475 0.226 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.038 -0.501 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.469 -1.001 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.579 -2.121 2.726 1.00 0.00 H new ATOM 962 N LYS A 60 9.940 -4.332 -3.417 1.00 0.00 N ATOM 963 CA LYS A 60 10.906 -5.054 -4.276 1.00 0.00 C ATOM 964 C LYS A 60 10.548 -4.904 -5.770 1.00 0.00 C ATOM 965 O LYS A 60 11.412 -5.065 -6.637 1.00 0.00 O ATOM 966 CB LYS A 60 10.989 -6.560 -3.857 1.00 0.00 C ATOM 967 CG LYS A 60 12.015 -6.885 -2.738 1.00 0.00 C ATOM 968 CD LYS A 60 11.761 -6.130 -1.416 1.00 0.00 C ATOM 969 CE LYS A 60 12.835 -6.424 -0.358 1.00 0.00 C ATOM 970 NZ LYS A 60 14.187 -5.945 -0.767 1.00 0.00 N ATOM 0 H LYS A 60 9.341 -4.948 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 60 11.890 -4.607 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.002 -6.882 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.238 -7.151 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.996 -7.957 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.016 -6.644 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.732 -5.058 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.783 -6.408 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.554 -5.949 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.874 -7.498 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.838 -6.012 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.542 -6.533 -1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.125 -4.955 -1.080 1.00 0.00 H new ATOM 984 N GLU A 61 9.272 -4.602 -6.061 1.00 0.00 N ATOM 985 CA GLU A 61 8.803 -4.281 -7.421 1.00 0.00 C ATOM 986 C GLU A 61 8.922 -2.766 -7.714 1.00 0.00 C ATOM 987 O GLU A 61 8.541 -2.318 -8.798 1.00 0.00 O ATOM 988 CB GLU A 61 7.334 -4.755 -7.583 1.00 0.00 C ATOM 989 CG GLU A 61 7.099 -6.258 -7.326 1.00 0.00 C ATOM 990 CD GLU A 61 7.871 -7.171 -8.298 1.00 0.00 C ATOM 991 OE1 GLU A 61 7.384 -7.394 -9.424 1.00 0.00 O ATOM 992 OE2 GLU A 61 8.962 -7.679 -7.937 1.00 0.00 O ATOM 0 H GLU A 61 8.534 -4.573 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 61 9.434 -4.802 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.707 -4.183 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.002 -4.519 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.394 -6.495 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.033 -6.471 -7.408 1.00 0.00 H new ATOM 999 N LEU A 62 9.415 -1.986 -6.714 1.00 0.00 N ATOM 1000 CA LEU A 62 9.632 -0.509 -6.805 1.00 0.00 C ATOM 1001 C LEU A 62 8.303 0.276 -6.963 1.00 0.00 C ATOM 1002 O LEU A 62 8.314 1.486 -7.231 1.00 0.00 O ATOM 1003 CB LEU A 62 10.658 -0.144 -7.942 1.00 0.00 C ATOM 1004 CG LEU A 62 12.178 -0.406 -7.648 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.661 0.411 -6.428 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.486 -1.914 -7.481 1.00 0.00 C ATOM 0 H LEU A 62 9.678 -2.369 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 62 10.067 -0.198 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.385 -0.705 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.537 0.913 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 62 12.738 -0.064 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.717 0.208 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.524 1.474 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.083 0.127 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.549 -2.048 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.905 -2.314 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.221 -2.443 -8.396 1.00 0.00 H new ATOM 1018 N LYS A 63 7.166 -0.419 -6.764 1.00 0.00 N ATOM 1019 CA LYS A 63 5.820 0.157 -6.896 1.00 0.00 C ATOM 1020 C LYS A 63 5.486 1.058 -5.709 1.00 0.00 C ATOM 1021 O LYS A 63 4.777 2.059 -5.872 1.00 0.00 O ATOM 1022 CB LYS A 63 4.770 -0.974 -7.010 1.00 0.00 C ATOM 1023 CG LYS A 63 4.964 -1.889 -8.233 1.00 0.00 C ATOM 1024 CD LYS A 63 3.939 -3.040 -8.270 1.00 0.00 C ATOM 1025 CE LYS A 63 4.213 -4.024 -9.412 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.214 -5.121 -9.448 1.00 0.00 N ATOM 0 H LYS A 63 7.160 -1.405 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 63 5.799 0.765 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.806 -1.581 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.776 -0.529 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.876 -1.297 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.972 -2.303 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.961 -3.574 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.936 -2.628 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.201 -3.490 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.211 -4.446 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.213 -5.559 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.458 -5.837 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.269 -4.737 -9.244 1.00 0.00 H new ATOM 1040 N VAL A 64 5.975 0.691 -4.506 1.00 0.00 N ATOM 1041 CA VAL A 64 5.820 1.506 -3.289 1.00 0.00 C ATOM 1042 C VAL A 64 7.187 1.696 -2.618 1.00 0.00 C ATOM 1043 O VAL A 64 8.057 0.819 -2.691 1.00 0.00 O ATOM 1044 CB VAL A 64 4.795 0.903 -2.248 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.404 0.717 -2.877 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.302 -0.411 -1.625 1.00 0.00 C ATOM 0 H VAL A 64 6.487 -0.178 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 64 5.409 2.464 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 64 4.706 1.627 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.722 0.301 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.026 1.681 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.476 0.037 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.564 -0.786 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.459 -1.150 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.243 -0.228 -1.106 1.00 0.00 H new ATOM 1056 N SER A 65 7.374 2.852 -1.988 1.00 0.00 N ATOM 1057 CA SER A 65 8.575 3.180 -1.224 1.00 0.00 C ATOM 1058 C SER A 65 8.189 3.490 0.225 1.00 0.00 C ATOM 1059 O SER A 65 7.049 3.872 0.497 1.00 0.00 O ATOM 1060 CB SER A 65 9.269 4.386 -1.883 1.00 0.00 C ATOM 1061 OG SER A 65 9.627 4.098 -3.230 1.00 0.00 O ATOM 0 H SER A 65 6.682 3.602 -1.994 1.00 0.00 H new ATOM 0 HA SER A 65 9.266 2.337 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.605 5.250 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.161 4.651 -1.315 1.00 0.00 H new ATOM 0 HG SER A 65 10.064 4.880 -3.627 1.00 0.00 H new ATOM 1067 N LEU A 66 9.146 3.329 1.146 1.00 0.00 N ATOM 1068 CA LEU A 66 8.953 3.652 2.566 1.00 0.00 C ATOM 1069 C LEU A 66 9.688 4.974 2.818 1.00 0.00 C ATOM 1070 O LEU A 66 10.921 5.005 2.885 1.00 0.00 O ATOM 1071 CB LEU A 66 9.494 2.514 3.475 1.00 0.00 C ATOM 1072 CG LEU A 66 9.297 2.710 5.016 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.801 2.710 5.410 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.090 1.654 5.813 1.00 0.00 C ATOM 0 H LEU A 66 10.076 2.971 0.929 1.00 0.00 H new ATOM 0 HA LEU A 66 7.894 3.752 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.010 1.582 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.559 2.395 3.278 1.00 0.00 H new ATOM 0 HG LEU A 66 9.694 3.692 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.708 2.849 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.289 3.522 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.350 1.759 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.936 1.812 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.744 0.657 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.151 1.745 5.582 1.00 0.00 H new ATOM 1086 N THR A 67 8.920 6.056 2.912 1.00 0.00 N ATOM 1087 CA THR A 67 9.456 7.438 2.920 1.00 0.00 C ATOM 1088 C THR A 67 9.629 7.955 4.352 1.00 0.00 C ATOM 1089 O THR A 67 10.579 8.686 4.647 1.00 0.00 O ATOM 1090 CB THR A 67 8.538 8.401 2.087 1.00 0.00 C ATOM 1091 OG1 THR A 67 8.944 9.778 2.255 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.046 8.241 2.438 1.00 0.00 C ATOM 0 H THR A 67 7.904 6.012 2.986 1.00 0.00 H new ATOM 0 HA THR A 67 10.439 7.416 2.450 1.00 0.00 H new ATOM 0 HB THR A 67 8.661 8.120 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.358 10.359 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.454 8.929 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.732 7.217 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.895 8.463 3.494 1.00 0.00 H new ATOM 1100 N SER A 68 8.696 7.568 5.228 1.00 0.00 N ATOM 1101 CA SER A 68 8.660 8.016 6.633 1.00 0.00 C ATOM 1102 C SER A 68 8.278 6.819 7.549 1.00 0.00 C ATOM 1103 O SER A 68 7.874 5.775 7.025 1.00 0.00 O ATOM 1104 CB SER A 68 7.662 9.201 6.745 1.00 0.00 C ATOM 1105 OG SER A 68 8.043 10.284 5.900 1.00 0.00 O ATOM 0 H SER A 68 7.937 6.931 4.985 1.00 0.00 H new ATOM 0 HA SER A 68 9.638 8.368 6.963 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.661 8.862 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.616 9.543 7.779 1.00 0.00 H new ATOM 0 HG SER A 68 7.395 11.014 5.991 1.00 0.00 H new ATOM 1111 N PRO A 69 8.446 6.920 8.925 1.00 0.00 N ATOM 1112 CA PRO A 69 8.084 5.826 9.875 1.00 0.00 C ATOM 1113 C PRO A 69 6.647 5.293 9.671 1.00 0.00 C ATOM 1114 O PRO A 69 5.671 6.005 9.947 1.00 0.00 O ATOM 1115 CB PRO A 69 8.250 6.494 11.269 1.00 0.00 C ATOM 1116 CG PRO A 69 9.289 7.555 11.047 1.00 0.00 C ATOM 1117 CD PRO A 69 9.031 8.087 9.656 1.00 0.00 C ATOM 0 HA PRO A 69 8.710 4.944 9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.311 6.923 11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.571 5.773 12.021 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.207 8.347 11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.295 7.143 11.129 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.343 8.933 9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.951 8.433 9.184 1.00 0.00 H new ATOM 1125 N ALA A 70 6.556 4.067 9.100 1.00 0.00 N ATOM 1126 CA ALA A 70 5.284 3.353 8.840 1.00 0.00 C ATOM 1127 C ALA A 70 4.425 4.074 7.785 1.00 0.00 C ATOM 1128 O ALA A 70 3.225 3.850 7.695 1.00 0.00 O ATOM 1129 CB ALA A 70 4.501 3.104 10.147 1.00 0.00 C ATOM 0 H ALA A 70 7.377 3.540 8.803 1.00 0.00 H new ATOM 0 HA ALA A 70 5.539 2.378 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.573 2.578 9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.105 2.499 10.823 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.271 4.058 10.621 1.00 0.00 H new ATOM 1135 N THR A 71 5.071 4.913 6.966 1.00 0.00 N ATOM 1136 CA THR A 71 4.413 5.717 5.935 1.00 0.00 C ATOM 1137 C THR A 71 4.993 5.340 4.573 1.00 0.00 C ATOM 1138 O THR A 71 6.213 5.452 4.348 1.00 0.00 O ATOM 1139 CB THR A 71 4.614 7.239 6.194 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.215 7.554 7.536 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.821 8.115 5.195 1.00 0.00 C ATOM 0 H THR A 71 6.081 5.053 7.004 1.00 0.00 H new ATOM 0 HA THR A 71 3.342 5.514 5.958 1.00 0.00 H new ATOM 0 HB THR A 71 5.672 7.460 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.343 8.512 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.994 9.168 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.152 7.899 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.757 7.896 5.284 1.00 0.00 H new ATOM 1149 N TRP A 72 4.115 4.917 3.669 1.00 0.00 N ATOM 1150 CA TRP A 72 4.489 4.452 2.336 1.00 0.00 C ATOM 1151 C TRP A 72 4.087 5.511 1.309 1.00 0.00 C ATOM 1152 O TRP A 72 3.373 6.462 1.629 1.00 0.00 O ATOM 1153 CB TRP A 72 3.822 3.083 2.037 1.00 0.00 C ATOM 1154 CG TRP A 72 4.263 1.981 2.980 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.757 1.699 4.224 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.314 1.026 2.755 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.424 0.633 4.774 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.382 0.202 3.893 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.202 0.792 1.701 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.298 -0.843 4.000 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.110 -0.242 1.808 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.154 -1.048 2.950 1.00 0.00 C ATOM 0 H TRP A 72 3.110 4.887 3.843 1.00 0.00 H new ATOM 0 HA TRP A 72 5.568 4.305 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.739 3.193 2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.054 2.790 1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.951 2.237 4.701 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.237 0.227 5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.178 1.411 0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.332 -1.469 4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.797 -0.432 0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.877 -1.848 3.005 1.00 0.00 H new ATOM 1173 N CYS A 73 4.560 5.338 0.087 1.00 0.00 N ATOM 1174 CA CYS A 73 4.292 6.249 -1.024 1.00 0.00 C ATOM 1175 C CYS A 73 4.326 5.457 -2.316 1.00 0.00 C ATOM 1176 O CYS A 73 4.908 4.371 -2.360 1.00 0.00 O ATOM 1177 CB CYS A 73 5.336 7.389 -1.052 1.00 0.00 C ATOM 1178 SG CYS A 73 7.055 6.842 -1.160 1.00 0.00 S ATOM 0 H CYS A 73 5.152 4.548 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 73 3.309 6.705 -0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.122 8.037 -1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.218 7.993 -0.152 1.00 0.00 H new ATOM 0 HG CYS A 73 7.214 5.767 -0.447 1.00 0.00 H new ATOM 1184 N LEU A 74 3.691 5.980 -3.367 1.00 0.00 N ATOM 1185 CA LEU A 74 3.682 5.326 -4.673 1.00 0.00 C ATOM 1186 C LEU A 74 5.029 5.595 -5.364 1.00 0.00 C ATOM 1187 O LEU A 74 5.296 6.723 -5.788 1.00 0.00 O ATOM 1188 CB LEU A 74 2.487 5.833 -5.525 1.00 0.00 C ATOM 1189 CG LEU A 74 2.129 4.989 -6.782 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.812 3.524 -6.419 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.959 5.628 -7.548 1.00 0.00 C ATOM 0 H LEU A 74 3.175 6.859 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 74 3.554 4.250 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.607 5.883 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.704 6.851 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 74 3.005 4.979 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.567 2.969 -7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.680 3.072 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.964 3.494 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.724 5.023 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.085 5.682 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.238 6.633 -7.865 1.00 0.00 H new ATOM 1203 N GLY A 75 5.888 4.561 -5.394 1.00 0.00 N ATOM 1204 CA GLY A 75 7.185 4.619 -6.070 1.00 0.00 C ATOM 1205 C GLY A 75 7.019 4.807 -7.570 1.00 0.00 C ATOM 1206 O GLY A 75 7.492 5.793 -8.150 1.00 0.00 O ATOM 0 H GLY A 75 5.697 3.664 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.774 5.440 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.740 3.701 -5.876 1.00 0.00 H new ATOM 1210 N GLY A 76 6.308 3.852 -8.184 1.00 0.00 N ATOM 1211 CA GLY A 76 5.899 3.953 -9.581 1.00 0.00 C ATOM 1212 C GLY A 76 4.615 4.757 -9.695 1.00 0.00 C ATOM 1213 O GLY A 76 3.529 4.175 -9.802 1.00 0.00 O ATOM 0 H GLY A 76 6.004 2.994 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.687 4.428 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.751 2.956 -9.997 1.00 0.00 H new ATOM 1217 N THR A 77 4.749 6.102 -9.624 1.00 0.00 N ATOM 1218 CA THR A 77 3.610 7.037 -9.573 1.00 0.00 C ATOM 1219 C THR A 77 2.857 7.087 -10.917 1.00 0.00 C ATOM 1220 O THR A 77 3.166 7.915 -11.781 1.00 0.00 O ATOM 1221 CB THR A 77 4.081 8.470 -9.153 1.00 0.00 C ATOM 1222 OG1 THR A 77 4.971 8.376 -8.037 1.00 0.00 O ATOM 1223 CG2 THR A 77 2.894 9.381 -8.776 1.00 0.00 C ATOM 0 H THR A 77 5.656 6.567 -9.601 1.00 0.00 H new ATOM 0 HA THR A 77 2.918 6.666 -8.817 1.00 0.00 H new ATOM 0 HB THR A 77 4.589 8.913 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.718 7.610 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.267 10.365 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.225 9.480 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.350 8.943 -7.939 1.00 0.00 H new ATOM 1231 N ASP A 78 1.908 6.140 -11.085 1.00 0.00 N ATOM 1232 CA ASP A 78 1.022 6.029 -12.266 1.00 0.00 C ATOM 1233 C ASP A 78 1.855 5.939 -13.578 1.00 0.00 C ATOM 1234 O ASP A 78 1.890 6.890 -14.370 1.00 0.00 O ATOM 1235 CB ASP A 78 -0.003 7.206 -12.281 1.00 0.00 C ATOM 1236 CG ASP A 78 -1.136 7.024 -13.303 1.00 0.00 C ATOM 1237 OD1 ASP A 78 -2.036 6.204 -13.043 1.00 0.00 O ATOM 1238 OD2 ASP A 78 -1.147 7.704 -14.353 1.00 0.00 O ATOM 0 H ASP A 78 1.732 5.416 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 78 0.450 5.104 -12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.436 7.312 -11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.526 8.134 -12.499 1.00 0.00 H new ATOM 1243 N PRO A 79 2.591 4.801 -13.793 1.00 0.00 N ATOM 1244 CA PRO A 79 3.615 4.696 -14.866 1.00 0.00 C ATOM 1245 C PRO A 79 3.021 4.578 -16.295 1.00 0.00 C ATOM 1246 O PRO A 79 2.678 3.483 -16.751 1.00 0.00 O ATOM 1247 CB PRO A 79 4.406 3.430 -14.453 1.00 0.00 C ATOM 1248 CG PRO A 79 3.412 2.573 -13.732 1.00 0.00 C ATOM 1249 CD PRO A 79 2.483 3.531 -13.012 1.00 0.00 C ATOM 0 HA PRO A 79 4.227 5.595 -14.940 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.812 2.916 -15.324 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.249 3.683 -13.810 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.860 1.944 -14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.909 1.907 -13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.459 3.158 -12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.785 3.674 -11.974 1.00 0.00 H new ATOM 1257 N GLU A 80 2.900 5.725 -16.988 1.00 0.00 N ATOM 1258 CA GLU A 80 2.447 5.780 -18.391 1.00 0.00 C ATOM 1259 C GLU A 80 3.154 6.945 -19.144 1.00 0.00 C ATOM 1260 O GLU A 80 4.144 6.680 -19.859 1.00 0.00 O ATOM 1261 CB GLU A 80 0.884 5.857 -18.477 1.00 0.00 C ATOM 1262 CG GLU A 80 0.202 6.890 -17.547 1.00 0.00 C ATOM 1263 CD GLU A 80 -1.294 7.059 -17.848 1.00 0.00 C ATOM 1264 OE1 GLU A 80 -2.103 6.233 -17.393 1.00 0.00 O ATOM 1265 OE2 GLU A 80 -1.667 8.019 -18.558 1.00 0.00 O ATOM 1266 OXT GLU A 80 2.754 8.117 -19.007 1.00 0.00 O ATOM 0 H GLU A 80 3.113 6.640 -16.591 1.00 0.00 H new ATOM 0 HA GLU A 80 2.734 4.856 -18.892 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.608 6.087 -19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.479 4.871 -18.250 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.327 6.578 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.701 7.853 -17.652 1.00 0.00 H new TER 1273 GLU A 80