USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 MET CE :methyl -149:sc= -2.17 (180deg=-1.89!) USER MOD Set 1.3: A 34 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.06) USER MOD Set 1.4: A 79 TYR OH : rot -116:sc= -0.722 USER MOD Set 2.1: A 16 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 75 THR OG1 : rot 40:sc= 0.833 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -129:sc= 0.0208 (180deg=-0.00018) USER MOD Single : A 2 MET CE :methyl -150:sc= 0 (180deg=-0.228) USER MOD Single : A 3 THR OG1 : rot -129:sc= 0.0703 USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -145:sc= -1.95! USER MOD Single : A 11 GLN : amide:sc=-0.00382 X(o=-0.0038,f=-0.5) USER MOD Single : A 12 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.79) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.04 K(o=1,f=-3.3!) USER MOD Single : A 20 MET CE :methyl 164:sc= 0 (180deg=-0.182) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.64 (180deg=1.62) USER MOD Single : A 28 CYS SG : rot -80:sc= -2.44! USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0196 (180deg=-0.286) USER MOD Single : A 41 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 1.41 (180deg=0.946) USER MOD Single : A 68 SER OG : rot -116:sc= 1.07 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 71 MET CE :methyl 170:sc= -2.45! (180deg=-2.68!) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -77:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.849 7.431 -12.511 1.00 0.00 N ATOM 2 CA HIS A 1 3.541 7.388 -11.874 1.00 0.00 C ATOM 3 C HIS A 1 3.727 7.784 -10.434 1.00 0.00 C ATOM 4 O HIS A 1 4.711 7.404 -9.822 1.00 0.00 O ATOM 5 CB HIS A 1 2.922 5.973 -11.926 1.00 0.00 C ATOM 6 CG HIS A 1 2.756 5.386 -13.295 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.610 5.496 -14.051 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.614 4.638 -14.030 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.799 4.833 -15.187 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.004 4.288 -15.227 1.00 0.00 N ATOM 0 H1 HIS A 1 4.792 7.995 -13.383 1.00 0.00 H new ATOM 0 H2 HIS A 1 5.537 7.864 -11.862 1.00 0.00 H new ATOM 0 H3 HIS A 1 5.154 6.464 -12.744 1.00 0.00 H new ATOM 0 HA HIS A 1 2.867 8.064 -12.400 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.546 5.302 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.945 6.006 -11.444 1.00 0.00 H new ATOM 0 HD2 HIS A 1 4.614 4.358 -13.732 1.00 0.00 H new ATOM 0 HE1 HIS A 1 1.065 4.750 -15.975 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.402 3.727 -15.980 1.00 0.00 H new ATOM 18 N MET A 2 2.820 8.566 -9.905 1.00 0.00 N ATOM 19 CA MET A 2 2.864 9.002 -8.518 1.00 0.00 C ATOM 20 C MET A 2 1.449 9.274 -8.053 1.00 0.00 C ATOM 21 O MET A 2 0.735 10.090 -8.655 1.00 0.00 O ATOM 22 CB MET A 2 3.697 10.293 -8.321 1.00 0.00 C ATOM 23 CG MET A 2 5.188 10.191 -8.611 1.00 0.00 C ATOM 24 SD MET A 2 6.058 11.747 -8.302 1.00 0.00 S ATOM 25 CE MET A 2 7.752 11.280 -8.685 1.00 0.00 C ATOM 0 H MET A 2 2.019 8.926 -10.424 1.00 0.00 H new ATOM 0 HA MET A 2 3.339 8.209 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.278 11.070 -8.960 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.572 10.626 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.623 9.406 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.334 9.896 -9.650 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.438 11.873 -8.081 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.896 10.222 -8.465 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.949 11.461 -9.742 1.00 0.00 H new ATOM 35 N THR A 3 1.037 8.607 -7.022 1.00 0.00 N ATOM 36 CA THR A 3 -0.289 8.795 -6.502 1.00 0.00 C ATOM 37 C THR A 3 -0.247 9.474 -5.139 1.00 0.00 C ATOM 38 O THR A 3 0.474 9.043 -4.221 1.00 0.00 O ATOM 39 CB THR A 3 -1.089 7.462 -6.438 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.412 7.679 -5.909 1.00 0.00 O ATOM 41 CG2 THR A 3 -0.367 6.421 -5.598 1.00 0.00 C ATOM 0 H THR A 3 1.600 7.922 -6.518 1.00 0.00 H new ATOM 0 HA THR A 3 -0.816 9.450 -7.196 1.00 0.00 H new ATOM 0 HB THR A 3 -1.172 7.088 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.582 7.044 -5.182 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.953 5.502 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.611 6.216 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.240 6.797 -4.583 1.00 0.00 H new ATOM 49 N PHE A 4 -0.961 10.573 -5.027 1.00 0.00 N ATOM 50 CA PHE A 4 -1.058 11.298 -3.779 1.00 0.00 C ATOM 51 C PHE A 4 -2.512 11.496 -3.425 1.00 0.00 C ATOM 52 O PHE A 4 -2.858 12.139 -2.434 1.00 0.00 O ATOM 53 CB PHE A 4 -0.293 12.623 -3.850 1.00 0.00 C ATOM 54 CG PHE A 4 1.138 12.398 -4.208 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.963 11.703 -3.349 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.639 12.810 -5.424 1.00 0.00 C ATOM 57 CE1 PHE A 4 3.260 11.430 -3.691 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.939 12.531 -5.775 1.00 0.00 C ATOM 59 CZ PHE A 4 3.750 11.839 -4.904 1.00 0.00 C ATOM 0 H PHE A 4 -1.489 10.988 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.591 10.715 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.758 13.276 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.355 13.134 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.581 11.370 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.005 13.356 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.897 10.892 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.323 12.854 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.772 11.619 -5.176 1.00 0.00 H new ATOM 69 N CYS A 5 -3.351 10.860 -4.204 1.00 0.00 N ATOM 70 CA CYS A 5 -4.768 10.930 -4.032 1.00 0.00 C ATOM 71 C CYS A 5 -5.247 9.743 -3.191 1.00 0.00 C ATOM 72 O CYS A 5 -5.379 8.625 -3.686 1.00 0.00 O ATOM 73 CB CYS A 5 -5.448 10.928 -5.402 1.00 0.00 C ATOM 74 SG CYS A 5 -4.901 12.260 -6.498 1.00 0.00 S ATOM 0 H CYS A 5 -3.058 10.273 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.029 11.851 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.259 9.971 -5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.526 11.007 -5.261 1.00 0.00 H new ATOM 0 HG CYS A 5 -5.530 12.174 -7.633 1.00 0.00 H new ATOM 80 N LEU A 6 -5.408 9.956 -1.913 1.00 0.00 N ATOM 81 CA LEU A 6 -5.899 8.915 -1.038 1.00 0.00 C ATOM 82 C LEU A 6 -7.374 9.115 -0.757 1.00 0.00 C ATOM 83 O LEU A 6 -8.178 8.193 -0.823 1.00 0.00 O ATOM 84 CB LEU A 6 -5.059 8.823 0.281 1.00 0.00 C ATOM 85 CG LEU A 6 -4.888 10.085 1.155 1.00 0.00 C ATOM 86 CD1 LEU A 6 -6.108 10.411 1.997 1.00 0.00 C ATOM 87 CD2 LEU A 6 -3.718 9.941 2.041 1.00 0.00 C ATOM 0 H LEU A 6 -5.207 10.842 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.781 7.959 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.510 8.051 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.062 8.473 0.012 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.745 10.911 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.915 11.309 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.965 10.581 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.321 9.578 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.611 10.838 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.857 9.076 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.820 9.802 1.439 1.00 0.00 H new ATOM 99 N GLU A 7 -7.727 10.356 -0.585 1.00 0.00 N ATOM 100 CA GLU A 7 -9.053 10.757 -0.218 1.00 0.00 C ATOM 101 C GLU A 7 -9.988 10.710 -1.409 1.00 0.00 C ATOM 102 O GLU A 7 -11.187 10.720 -1.255 1.00 0.00 O ATOM 103 CB GLU A 7 -8.978 12.135 0.423 1.00 0.00 C ATOM 104 CG GLU A 7 -10.215 12.615 1.131 1.00 0.00 C ATOM 105 CD GLU A 7 -9.981 13.967 1.729 1.00 0.00 C ATOM 106 OE1 GLU A 7 -10.192 14.972 1.026 1.00 0.00 O ATOM 107 OE2 GLU A 7 -9.547 14.056 2.902 1.00 0.00 O ATOM 0 H GLU A 7 -7.082 11.138 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.471 10.061 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.155 12.134 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.727 12.859 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.049 12.659 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.492 11.908 1.912 1.00 0.00 H new ATOM 114 N THR A 8 -9.433 10.602 -2.583 1.00 0.00 N ATOM 115 CA THR A 8 -10.209 10.487 -3.787 1.00 0.00 C ATOM 116 C THR A 8 -10.911 9.128 -3.775 1.00 0.00 C ATOM 117 O THR A 8 -12.051 8.981 -4.206 1.00 0.00 O ATOM 118 CB THR A 8 -9.268 10.558 -4.973 1.00 0.00 C ATOM 119 OG1 THR A 8 -8.439 11.717 -4.817 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.029 10.625 -6.283 1.00 0.00 C ATOM 0 H THR A 8 -8.424 10.591 -2.733 1.00 0.00 H new ATOM 0 HA THR A 8 -10.946 11.287 -3.853 1.00 0.00 H new ATOM 0 HB THR A 8 -8.658 9.655 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.253 12.107 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.323 10.675 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.650 9.736 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.662 11.513 -6.291 1.00 0.00 H new ATOM 128 N TYR A 9 -10.232 8.162 -3.199 1.00 0.00 N ATOM 129 CA TYR A 9 -10.755 6.836 -3.080 1.00 0.00 C ATOM 130 C TYR A 9 -11.715 6.770 -1.908 1.00 0.00 C ATOM 131 O TYR A 9 -12.670 5.999 -1.901 1.00 0.00 O ATOM 132 CB TYR A 9 -9.613 5.833 -2.970 1.00 0.00 C ATOM 133 CG TYR A 9 -8.845 5.681 -4.279 1.00 0.00 C ATOM 134 CD1 TYR A 9 -7.868 6.601 -4.648 1.00 0.00 C ATOM 135 CD2 TYR A 9 -9.118 4.634 -5.155 1.00 0.00 C ATOM 136 CE1 TYR A 9 -7.187 6.485 -5.845 1.00 0.00 C ATOM 137 CE2 TYR A 9 -8.435 4.507 -6.357 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.473 5.438 -6.697 1.00 0.00 C ATOM 139 OH TYR A 9 -6.777 5.323 -7.896 1.00 0.00 O ATOM 0 H TYR A 9 -9.300 8.282 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.320 6.572 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.928 6.152 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.012 4.864 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.637 7.422 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.874 3.908 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.434 7.211 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.655 3.685 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.093 4.534 -8.383 1.00 0.00 H new ATOM 149 N LEU A 10 -11.487 7.653 -0.961 1.00 0.00 N ATOM 150 CA LEU A 10 -12.317 7.799 0.218 1.00 0.00 C ATOM 151 C LEU A 10 -13.642 8.477 -0.202 1.00 0.00 C ATOM 152 O LEU A 10 -14.694 8.254 0.391 1.00 0.00 O ATOM 153 CB LEU A 10 -11.518 8.613 1.256 1.00 0.00 C ATOM 154 CG LEU A 10 -12.045 8.712 2.692 1.00 0.00 C ATOM 155 CD1 LEU A 10 -10.902 9.101 3.603 1.00 0.00 C ATOM 156 CD2 LEU A 10 -13.147 9.752 2.812 1.00 0.00 C ATOM 0 H LEU A 10 -10.703 8.305 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.576 6.843 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.514 8.190 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.419 9.628 0.872 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.459 7.744 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.263 9.175 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.119 8.345 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.499 10.064 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.496 9.795 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.760 10.728 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.976 9.480 2.159 1.00 0.00 H new ATOM 168 N GLN A 11 -13.578 9.262 -1.284 1.00 0.00 N ATOM 169 CA GLN A 11 -14.747 9.924 -1.853 1.00 0.00 C ATOM 170 C GLN A 11 -15.646 8.872 -2.455 1.00 0.00 C ATOM 171 O GLN A 11 -16.855 9.007 -2.494 1.00 0.00 O ATOM 172 CB GLN A 11 -14.340 10.915 -2.958 1.00 0.00 C ATOM 173 CG GLN A 11 -13.591 12.145 -2.488 1.00 0.00 C ATOM 174 CD GLN A 11 -13.183 13.049 -3.640 1.00 0.00 C ATOM 175 OE1 GLN A 11 -13.857 13.126 -4.671 1.00 0.00 O ATOM 176 NE2 GLN A 11 -12.083 13.721 -3.495 1.00 0.00 N ATOM 0 H GLN A 11 -12.711 9.453 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.258 10.475 -1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.720 10.389 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.240 11.237 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.217 12.705 -1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.702 11.838 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.545 13.639 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.756 14.332 -4.244 1.00 0.00 H new ATOM 185 N GLN A 12 -15.028 7.805 -2.910 1.00 0.00 N ATOM 186 CA GLN A 12 -15.742 6.717 -3.525 1.00 0.00 C ATOM 187 C GLN A 12 -16.083 5.645 -2.508 1.00 0.00 C ATOM 188 O GLN A 12 -16.800 4.688 -2.813 1.00 0.00 O ATOM 189 CB GLN A 12 -14.945 6.148 -4.699 1.00 0.00 C ATOM 190 CG GLN A 12 -14.690 7.174 -5.793 1.00 0.00 C ATOM 191 CD GLN A 12 -15.975 7.682 -6.413 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.968 6.955 -6.503 1.00 0.00 O ATOM 193 NE2 GLN A 12 -15.983 8.922 -6.818 1.00 0.00 N ATOM 0 H GLN A 12 -14.018 7.670 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.684 7.101 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.991 5.769 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.485 5.300 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.132 8.014 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.066 6.729 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.143 9.493 -6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.829 9.320 -7.225 1.00 0.00 H new ATOM 202 N SER A 13 -15.552 5.820 -1.303 1.00 0.00 N ATOM 203 CA SER A 13 -15.783 4.937 -0.179 1.00 0.00 C ATOM 204 C SER A 13 -15.229 3.543 -0.457 1.00 0.00 C ATOM 205 O SER A 13 -15.791 2.510 -0.049 1.00 0.00 O ATOM 206 CB SER A 13 -17.264 4.937 0.204 1.00 0.00 C ATOM 207 OG SER A 13 -17.671 6.269 0.525 1.00 0.00 O ATOM 0 H SER A 13 -14.934 6.601 -1.081 1.00 0.00 H new ATOM 0 HA SER A 13 -15.237 5.309 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.864 4.550 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.431 4.279 1.057 1.00 0.00 H new ATOM 0 HG SER A 13 -18.620 6.271 0.769 1.00 0.00 H new ATOM 213 N GLY A 14 -14.101 3.547 -1.115 1.00 0.00 N ATOM 214 CA GLY A 14 -13.400 2.367 -1.442 1.00 0.00 C ATOM 215 C GLY A 14 -11.940 2.638 -1.333 1.00 0.00 C ATOM 216 O GLY A 14 -11.200 2.513 -2.311 1.00 0.00 O ATOM 0 H GLY A 14 -13.645 4.400 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.686 1.558 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.651 2.045 -2.453 1.00 0.00 H new ATOM 220 N GLU A 15 -11.546 3.096 -0.174 1.00 0.00 N ATOM 221 CA GLU A 15 -10.184 3.436 0.112 1.00 0.00 C ATOM 222 C GLU A 15 -9.476 2.313 0.900 1.00 0.00 C ATOM 223 O GLU A 15 -10.096 1.297 1.275 1.00 0.00 O ATOM 224 CB GLU A 15 -10.101 4.758 0.921 1.00 0.00 C ATOM 225 CG GLU A 15 -10.691 4.707 2.351 1.00 0.00 C ATOM 226 CD GLU A 15 -12.208 4.856 2.470 1.00 0.00 C ATOM 227 OE1 GLU A 15 -12.975 4.152 1.788 1.00 0.00 O ATOM 228 OE2 GLU A 15 -12.660 5.698 3.285 1.00 0.00 O ATOM 0 H GLU A 15 -12.179 3.245 0.612 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.679 3.566 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.055 5.055 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.618 5.538 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.405 3.758 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.224 5.495 2.941 1.00 0.00 H new ATOM 235 N TYR A 16 -8.186 2.493 1.102 1.00 0.00 N ATOM 236 CA TYR A 16 -7.334 1.595 1.880 1.00 0.00 C ATOM 237 C TYR A 16 -6.333 2.505 2.569 1.00 0.00 C ATOM 238 O TYR A 16 -5.235 2.106 2.977 1.00 0.00 O ATOM 239 CB TYR A 16 -6.616 0.617 0.920 1.00 0.00 C ATOM 240 CG TYR A 16 -5.771 -0.486 1.558 1.00 0.00 C ATOM 241 CD1 TYR A 16 -6.365 -1.541 2.224 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.380 -0.472 1.469 1.00 0.00 C ATOM 243 CE1 TYR A 16 -5.609 -2.552 2.793 1.00 0.00 C ATOM 244 CE2 TYR A 16 -3.615 -1.478 2.035 1.00 0.00 C ATOM 245 CZ TYR A 16 -4.238 -2.515 2.700 1.00 0.00 C ATOM 246 OH TYR A 16 -3.482 -3.526 3.266 1.00 0.00 O ATOM 0 H TYR A 16 -7.679 3.291 0.720 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.891 0.996 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.370 0.145 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.971 1.200 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.442 -1.578 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.890 0.338 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.095 -3.367 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.538 -1.451 1.957 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.655 -3.642 2.753 1.00 0.00 H new ATOM 256 N GLU A 17 -6.768 3.730 2.745 1.00 0.00 N ATOM 257 CA GLU A 17 -5.956 4.766 3.287 1.00 0.00 C ATOM 258 C GLU A 17 -6.778 5.604 4.283 1.00 0.00 C ATOM 259 O GLU A 17 -8.017 5.551 4.289 1.00 0.00 O ATOM 260 CB GLU A 17 -5.409 5.686 2.156 1.00 0.00 C ATOM 261 CG GLU A 17 -4.536 5.020 1.047 1.00 0.00 C ATOM 262 CD GLU A 17 -5.304 4.243 -0.055 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.520 4.446 -0.207 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.644 3.485 -0.861 1.00 0.00 O ATOM 0 H GLU A 17 -7.714 4.029 2.508 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.111 4.309 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.259 6.166 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.819 6.476 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.941 5.797 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.838 4.334 1.526 1.00 0.00 H new ATOM 271 N ILE A 18 -6.093 6.383 5.103 1.00 0.00 N ATOM 272 CA ILE A 18 -6.756 7.231 6.085 1.00 0.00 C ATOM 273 C ILE A 18 -6.469 8.707 5.735 1.00 0.00 C ATOM 274 O ILE A 18 -5.592 8.957 4.893 1.00 0.00 O ATOM 275 CB ILE A 18 -6.322 6.871 7.572 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.036 7.746 8.640 1.00 0.00 C ATOM 277 CG2 ILE A 18 -4.828 6.926 7.744 1.00 0.00 C ATOM 278 CD1 ILE A 18 -6.634 7.462 10.077 1.00 0.00 C ATOM 0 H ILE A 18 -5.075 6.447 5.110 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.831 7.057 6.045 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.646 5.844 7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.834 8.795 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.112 7.603 8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.571 6.674 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.357 6.213 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.472 7.931 7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.186 8.122 10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.863 6.425 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.565 7.635 10.197 1.00 0.00 H new ATOM 290 N HIS A 19 -7.225 9.676 6.323 1.00 0.00 N ATOM 291 CA HIS A 19 -7.009 11.126 6.111 1.00 0.00 C ATOM 292 C HIS A 19 -5.665 11.542 6.691 1.00 0.00 C ATOM 293 O HIS A 19 -5.568 12.131 7.777 1.00 0.00 O ATOM 294 CB HIS A 19 -8.097 12.032 6.739 1.00 0.00 C ATOM 295 CG HIS A 19 -9.506 11.894 6.243 1.00 0.00 C ATOM 296 ND1 HIS A 19 -9.996 12.479 5.086 1.00 0.00 N ATOM 297 CD2 HIS A 19 -10.564 11.299 6.824 1.00 0.00 C ATOM 298 CE1 HIS A 19 -11.300 12.228 5.018 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.700 11.513 6.052 1.00 0.00 N ATOM 0 H HIS A 19 -7.998 9.469 6.955 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.050 11.266 5.031 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.103 11.850 7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.792 13.068 6.593 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -9.452 13.009 4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.535 10.741 7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.947 12.565 4.221 1.00 0.00 H new ATOM 307 N MET A 20 -4.679 11.129 6.025 1.00 0.00 N ATOM 308 CA MET A 20 -3.301 11.398 6.300 1.00 0.00 C ATOM 309 C MET A 20 -2.644 11.743 4.970 1.00 0.00 C ATOM 310 O MET A 20 -3.319 12.293 4.093 1.00 0.00 O ATOM 311 CB MET A 20 -2.663 10.161 6.953 1.00 0.00 C ATOM 312 CG MET A 20 -2.920 10.009 8.443 1.00 0.00 C ATOM 313 SD MET A 20 -2.043 8.596 9.160 1.00 0.00 S ATOM 314 CE MET A 20 -2.611 8.670 10.850 1.00 0.00 C ATOM 0 H MET A 20 -4.800 10.543 5.199 1.00 0.00 H new ATOM 0 HA MET A 20 -3.174 12.228 6.995 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.033 9.271 6.444 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.586 10.198 6.789 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.613 10.921 8.956 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.990 9.892 8.613 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.397 7.724 11.347 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.098 9.478 11.371 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.685 8.853 10.865 1.00 0.00 H new ATOM 324 N LYS A 21 -1.385 11.431 4.786 1.00 0.00 N ATOM 325 CA LYS A 21 -0.719 11.785 3.556 1.00 0.00 C ATOM 326 C LYS A 21 -0.133 10.505 2.922 1.00 0.00 C ATOM 327 O LYS A 21 0.614 9.778 3.577 1.00 0.00 O ATOM 328 CB LYS A 21 0.358 12.856 3.890 1.00 0.00 C ATOM 329 CG LYS A 21 0.956 13.623 2.714 1.00 0.00 C ATOM 330 CD LYS A 21 1.902 12.788 1.892 1.00 0.00 C ATOM 331 CE LYS A 21 2.374 13.547 0.682 1.00 0.00 C ATOM 332 NZ LYS A 21 3.265 12.734 -0.158 1.00 0.00 N ATOM 0 H LYS A 21 -0.805 10.937 5.465 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.401 12.216 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.083 13.578 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.172 12.364 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.150 13.986 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.485 14.499 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.758 12.496 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.405 11.870 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.513 13.867 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.897 14.449 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.583 13.297 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.090 12.435 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.753 11.894 -0.496 1.00 0.00 H new ATOM 346 N ARG A 22 -0.514 10.209 1.675 1.00 0.00 N ATOM 347 CA ARG A 22 -0.030 9.007 1.000 1.00 0.00 C ATOM 348 C ARG A 22 1.124 9.401 0.080 1.00 0.00 C ATOM 349 O ARG A 22 1.310 10.603 -0.221 1.00 0.00 O ATOM 350 CB ARG A 22 -1.156 8.367 0.138 1.00 0.00 C ATOM 351 CG ARG A 22 -1.305 8.992 -1.252 1.00 0.00 C ATOM 352 CD ARG A 22 -2.297 8.252 -2.128 1.00 0.00 C ATOM 353 NE ARG A 22 -2.001 6.841 -2.221 1.00 0.00 N ATOM 354 CZ ARG A 22 -2.901 5.889 -2.115 1.00 0.00 C ATOM 355 NH1 ARG A 22 -4.204 6.158 -2.265 1.00 0.00 N ATOM 356 NH2 ARG A 22 -2.503 4.658 -1.965 1.00 0.00 N ATOM 0 H ARG A 22 -1.150 10.781 1.119 1.00 0.00 H new ATOM 0 HA ARG A 22 0.293 8.285 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.954 7.302 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.103 8.458 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.624 10.029 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.333 9.006 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.302 8.384 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.292 8.688 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.032 6.566 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.508 7.111 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.892 5.410 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.506 4.445 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.188 3.907 -1.881 1.00 0.00 H new ATOM 370 N ALA A 23 1.865 8.444 -0.387 1.00 0.00 N ATOM 371 CA ALA A 23 2.954 8.744 -1.323 1.00 0.00 C ATOM 372 C ALA A 23 3.313 7.534 -2.164 1.00 0.00 C ATOM 373 O ALA A 23 4.282 6.825 -1.876 1.00 0.00 O ATOM 374 CB ALA A 23 4.175 9.307 -0.611 1.00 0.00 C ATOM 0 H ALA A 23 1.755 7.457 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 23 2.590 9.518 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.958 9.515 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.903 10.229 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.540 8.581 0.115 1.00 0.00 H new ATOM 380 N GLY A 24 2.534 7.301 -3.195 1.00 0.00 N ATOM 381 CA GLY A 24 2.714 6.137 -4.021 1.00 0.00 C ATOM 382 C GLY A 24 3.496 6.358 -5.250 1.00 0.00 C ATOM 383 O GLY A 24 2.942 6.496 -6.321 1.00 0.00 O ATOM 0 H GLY A 24 1.766 7.908 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.205 5.364 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.733 5.751 -4.298 1.00 0.00 H new ATOM 387 N PHE A 25 4.778 6.338 -5.114 1.00 0.00 N ATOM 388 CA PHE A 25 5.657 6.538 -6.235 1.00 0.00 C ATOM 389 C PHE A 25 5.717 5.274 -7.091 1.00 0.00 C ATOM 390 O PHE A 25 5.187 5.226 -8.185 1.00 0.00 O ATOM 391 CB PHE A 25 7.056 6.919 -5.745 1.00 0.00 C ATOM 392 CG PHE A 25 7.091 8.178 -4.928 1.00 0.00 C ATOM 393 CD1 PHE A 25 7.089 9.407 -5.545 1.00 0.00 C ATOM 394 CD2 PHE A 25 7.126 8.129 -3.547 1.00 0.00 C ATOM 395 CE1 PHE A 25 7.118 10.569 -4.810 1.00 0.00 C ATOM 396 CE2 PHE A 25 7.156 9.291 -2.806 1.00 0.00 C ATOM 397 CZ PHE A 25 7.150 10.511 -3.439 1.00 0.00 C ATOM 0 H PHE A 25 5.255 6.183 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 25 5.269 7.352 -6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.458 6.099 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.713 7.038 -6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.064 9.460 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.130 7.173 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.116 11.526 -5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.184 9.243 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.170 11.422 -2.859 1.00 0.00 H new ATOM 407 N ARG A 26 6.257 4.214 -6.546 1.00 0.00 N ATOM 408 CA ARG A 26 6.399 2.997 -7.347 1.00 0.00 C ATOM 409 C ARG A 26 5.150 2.178 -7.302 1.00 0.00 C ATOM 410 O ARG A 26 4.738 1.573 -8.287 1.00 0.00 O ATOM 411 CB ARG A 26 7.562 2.117 -6.908 1.00 0.00 C ATOM 412 CG ARG A 26 8.950 2.628 -7.194 1.00 0.00 C ATOM 413 CD ARG A 26 9.361 3.748 -6.277 1.00 0.00 C ATOM 414 NE ARG A 26 10.629 4.351 -6.708 1.00 0.00 N ATOM 415 CZ ARG A 26 11.518 4.992 -5.931 1.00 0.00 C ATOM 416 NH1 ARG A 26 11.319 5.108 -4.622 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.621 5.508 -6.482 1.00 0.00 N ATOM 0 H ARG A 26 6.599 4.154 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 26 6.597 3.342 -8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.476 1.952 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.453 1.145 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.661 1.807 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.999 2.974 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.582 4.510 -6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.463 3.370 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 26 10.858 4.275 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.483 4.708 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.002 5.597 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.782 5.413 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.301 5.996 -5.900 1.00 0.00 H new ATOM 431 N GLU A 27 4.513 2.208 -6.175 1.00 0.00 N ATOM 432 CA GLU A 27 3.335 1.407 -5.969 1.00 0.00 C ATOM 433 C GLU A 27 2.088 2.049 -6.619 1.00 0.00 C ATOM 434 O GLU A 27 0.999 1.477 -6.563 1.00 0.00 O ATOM 435 CB GLU A 27 3.136 1.157 -4.498 1.00 0.00 C ATOM 436 CG GLU A 27 2.236 -0.012 -4.166 1.00 0.00 C ATOM 437 CD GLU A 27 2.106 -0.230 -2.690 1.00 0.00 C ATOM 438 OE1 GLU A 27 3.159 -0.267 -2.003 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.944 -0.404 -2.218 1.00 0.00 O ATOM 0 H GLU A 27 4.786 2.780 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 27 3.479 0.446 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.110 0.989 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.720 2.057 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.248 0.160 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.631 -0.915 -4.631 1.00 0.00 H new ATOM 446 N CYS A 28 2.244 3.257 -7.214 1.00 0.00 N ATOM 447 CA CYS A 28 1.140 3.902 -7.934 1.00 0.00 C ATOM 448 C CYS A 28 0.574 2.936 -8.985 1.00 0.00 C ATOM 449 O CYS A 28 -0.636 2.805 -9.137 1.00 0.00 O ATOM 450 CB CYS A 28 1.630 5.166 -8.639 1.00 0.00 C ATOM 451 SG CYS A 28 0.340 6.110 -9.483 1.00 0.00 S ATOM 0 H CYS A 28 3.113 3.790 -7.206 1.00 0.00 H new ATOM 0 HA CYS A 28 0.366 4.167 -7.214 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.112 5.812 -7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.392 4.887 -9.367 1.00 0.00 H new ATOM 0 HG CYS A 28 0.080 5.559 -10.631 1.00 0.00 H new ATOM 457 N ALA A 29 1.471 2.237 -9.677 1.00 0.00 N ATOM 458 CA ALA A 29 1.071 1.262 -10.683 1.00 0.00 C ATOM 459 C ALA A 29 0.322 0.102 -10.055 1.00 0.00 C ATOM 460 O ALA A 29 -0.708 -0.347 -10.574 1.00 0.00 O ATOM 461 CB ALA A 29 2.263 0.776 -11.481 1.00 0.00 C ATOM 0 H ALA A 29 2.480 2.329 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 29 0.391 1.760 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.932 0.050 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.733 1.621 -11.984 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.983 0.307 -10.810 1.00 0.00 H new ATOM 467 N ALA A 30 0.821 -0.347 -8.925 1.00 0.00 N ATOM 468 CA ALA A 30 0.234 -1.440 -8.195 1.00 0.00 C ATOM 469 C ALA A 30 -1.160 -1.131 -7.730 1.00 0.00 C ATOM 470 O ALA A 30 -2.044 -1.945 -7.897 1.00 0.00 O ATOM 471 CB ALA A 30 1.064 -1.762 -6.989 1.00 0.00 C ATOM 0 H ALA A 30 1.655 0.043 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 30 0.197 -2.287 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.610 -2.590 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.069 -2.042 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.117 -0.888 -6.340 1.00 0.00 H new ATOM 477 N MET A 31 -1.362 0.068 -7.163 1.00 0.00 N ATOM 478 CA MET A 31 -2.670 0.438 -6.597 1.00 0.00 C ATOM 479 C MET A 31 -3.795 0.317 -7.601 1.00 0.00 C ATOM 480 O MET A 31 -4.887 -0.110 -7.252 1.00 0.00 O ATOM 481 CB MET A 31 -2.690 1.824 -5.941 1.00 0.00 C ATOM 482 CG MET A 31 -2.731 3.003 -6.894 1.00 0.00 C ATOM 483 SD MET A 31 -3.019 4.561 -6.046 1.00 0.00 S ATOM 484 CE MET A 31 -4.567 4.229 -5.212 1.00 0.00 C ATOM 0 H MET A 31 -0.647 0.791 -7.084 1.00 0.00 H new ATOM 0 HA MET A 31 -2.838 -0.292 -5.806 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.557 1.882 -5.283 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.806 1.920 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.789 3.058 -7.440 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.518 2.843 -7.631 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.138 5.153 -5.122 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.141 3.502 -5.787 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.366 3.829 -4.218 1.00 0.00 H new ATOM 494 N ILE A 32 -3.491 0.635 -8.848 1.00 0.00 N ATOM 495 CA ILE A 32 -4.458 0.580 -9.930 1.00 0.00 C ATOM 496 C ILE A 32 -4.992 -0.843 -10.079 1.00 0.00 C ATOM 497 O ILE A 32 -6.199 -1.075 -10.138 1.00 0.00 O ATOM 498 CB ILE A 32 -3.800 1.048 -11.266 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.314 2.508 -11.160 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.740 0.877 -12.452 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.408 3.513 -10.850 1.00 0.00 C ATOM 0 H ILE A 32 -2.562 0.940 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.287 1.248 -9.696 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.935 0.409 -11.440 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.551 2.569 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.836 2.788 -12.099 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.243 1.214 -13.362 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.009 -0.174 -12.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.641 1.468 -12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.978 4.513 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.161 3.486 -11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.872 3.263 -9.896 1.00 0.00 H new ATOM 513 N GLU A 33 -4.094 -1.786 -10.071 1.00 0.00 N ATOM 514 CA GLU A 33 -4.458 -3.160 -10.245 1.00 0.00 C ATOM 515 C GLU A 33 -4.936 -3.778 -8.926 1.00 0.00 C ATOM 516 O GLU A 33 -5.789 -4.662 -8.922 1.00 0.00 O ATOM 517 CB GLU A 33 -3.305 -3.930 -10.883 1.00 0.00 C ATOM 518 CG GLU A 33 -2.927 -3.368 -12.247 1.00 0.00 C ATOM 519 CD GLU A 33 -1.844 -4.142 -12.941 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.104 -5.274 -13.392 1.00 0.00 O ATOM 521 OE2 GLU A 33 -0.726 -3.616 -13.101 1.00 0.00 O ATOM 0 H GLU A 33 -3.095 -1.624 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.304 -3.223 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.438 -3.895 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.584 -4.979 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.813 -3.352 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.602 -2.334 -12.127 1.00 0.00 H new ATOM 528 N LYS A 34 -4.425 -3.256 -7.801 1.00 0.00 N ATOM 529 CA LYS A 34 -4.810 -3.697 -6.444 1.00 0.00 C ATOM 530 C LYS A 34 -6.309 -3.561 -6.234 1.00 0.00 C ATOM 531 O LYS A 34 -6.903 -4.326 -5.479 1.00 0.00 O ATOM 532 CB LYS A 34 -4.057 -2.866 -5.385 1.00 0.00 C ATOM 533 CG LYS A 34 -2.626 -3.338 -5.073 1.00 0.00 C ATOM 534 CD LYS A 34 -1.739 -2.224 -4.463 1.00 0.00 C ATOM 535 CE LYS A 34 -2.433 -1.424 -3.350 1.00 0.00 C ATOM 536 NZ LYS A 34 -1.579 -0.314 -2.814 1.00 0.00 N ATOM 0 H LYS A 34 -3.728 -2.511 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.540 -4.748 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.015 -1.830 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.635 -2.877 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.670 -4.179 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.162 -3.703 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.830 -2.673 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.434 -1.540 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.364 -1.007 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.698 -2.098 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.872 -0.089 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.582 -0.611 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.690 0.529 -3.412 1.00 0.00 H new ATOM 550 N LYS A 35 -6.904 -2.623 -6.970 1.00 0.00 N ATOM 551 CA LYS A 35 -8.326 -2.313 -6.912 1.00 0.00 C ATOM 552 C LYS A 35 -9.188 -3.533 -7.350 1.00 0.00 C ATOM 553 O LYS A 35 -10.355 -3.643 -6.988 1.00 0.00 O ATOM 554 CB LYS A 35 -8.580 -1.033 -7.782 1.00 0.00 C ATOM 555 CG LYS A 35 -10.008 -0.437 -7.806 1.00 0.00 C ATOM 556 CD LYS A 35 -10.974 -1.219 -8.697 1.00 0.00 C ATOM 557 CE LYS A 35 -12.367 -0.613 -8.693 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.945 -0.552 -7.338 1.00 0.00 N ATOM 0 H LYS A 35 -6.395 -2.045 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.631 -2.102 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.900 -0.255 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.300 -1.267 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.401 -0.412 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.958 0.595 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.590 -1.240 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.027 -2.253 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.325 0.392 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.019 -1.202 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.965 -0.360 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.795 -1.461 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.484 0.207 -6.798 1.00 0.00 H new ATOM 572 N ALA A 36 -8.596 -4.457 -8.092 1.00 0.00 N ATOM 573 CA ALA A 36 -9.325 -5.622 -8.574 1.00 0.00 C ATOM 574 C ALA A 36 -9.624 -6.597 -7.432 1.00 0.00 C ATOM 575 O ALA A 36 -10.729 -7.164 -7.349 1.00 0.00 O ATOM 576 CB ALA A 36 -8.546 -6.317 -9.680 1.00 0.00 C ATOM 0 H ALA A 36 -7.616 -4.424 -8.373 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.277 -5.280 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.105 -7.185 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.396 -5.625 -10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.578 -6.639 -9.296 1.00 0.00 H new ATOM 582 N ARG A 37 -8.660 -6.758 -6.535 1.00 0.00 N ATOM 583 CA ARG A 37 -8.776 -7.677 -5.408 1.00 0.00 C ATOM 584 C ARG A 37 -7.554 -7.542 -4.544 1.00 0.00 C ATOM 585 O ARG A 37 -7.627 -7.136 -3.398 1.00 0.00 O ATOM 586 CB ARG A 37 -8.873 -9.137 -5.884 1.00 0.00 C ATOM 587 CG ARG A 37 -9.092 -10.156 -4.766 1.00 0.00 C ATOM 588 CD ARG A 37 -9.108 -11.581 -5.308 1.00 0.00 C ATOM 589 NE ARG A 37 -10.180 -11.787 -6.289 1.00 0.00 N ATOM 590 CZ ARG A 37 -10.320 -12.872 -7.069 1.00 0.00 C ATOM 591 NH1 ARG A 37 -9.444 -13.868 -7.007 1.00 0.00 N ATOM 592 NH2 ARG A 37 -11.333 -12.948 -7.911 1.00 0.00 N ATOM 0 H ARG A 37 -7.774 -6.255 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.681 -7.427 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.692 -9.219 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.958 -9.393 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.302 -10.057 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.035 -9.947 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.146 -11.803 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.234 -12.281 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.875 -11.047 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.655 -13.814 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.560 -14.687 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.007 -12.184 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.442 -13.770 -8.505 1.00 0.00 H new ATOM 606 N ARG A 38 -6.442 -7.919 -5.114 1.00 0.00 N ATOM 607 CA ARG A 38 -5.150 -7.866 -4.512 1.00 0.00 C ATOM 608 C ARG A 38 -4.161 -8.151 -5.620 1.00 0.00 C ATOM 609 O ARG A 38 -4.396 -9.054 -6.423 1.00 0.00 O ATOM 610 CB ARG A 38 -5.025 -8.887 -3.355 1.00 0.00 C ATOM 611 CG ARG A 38 -5.188 -10.340 -3.754 1.00 0.00 C ATOM 612 CD ARG A 38 -5.211 -11.256 -2.551 1.00 0.00 C ATOM 613 NE ARG A 38 -6.385 -11.023 -1.690 1.00 0.00 N ATOM 614 CZ ARG A 38 -6.951 -11.953 -0.909 1.00 0.00 C ATOM 615 NH1 ARG A 38 -6.535 -13.220 -0.965 1.00 0.00 N ATOM 616 NH2 ARG A 38 -7.968 -11.622 -0.113 1.00 0.00 N ATOM 0 H ARG A 38 -6.419 -8.291 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.961 -6.891 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.049 -8.763 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.773 -8.649 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.112 -10.460 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.371 -10.629 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.210 -12.293 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.302 -11.109 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.795 -10.089 -1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.784 -13.483 -1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.968 -13.926 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.314 -10.662 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.400 -12.328 0.482 1.00 0.00 H new ATOM 630 N VAL A 39 -3.134 -7.358 -5.727 1.00 0.00 N ATOM 631 CA VAL A 39 -2.154 -7.516 -6.792 1.00 0.00 C ATOM 632 C VAL A 39 -0.764 -7.338 -6.246 1.00 0.00 C ATOM 633 O VAL A 39 -0.560 -6.550 -5.301 1.00 0.00 O ATOM 634 CB VAL A 39 -2.438 -6.504 -7.959 1.00 0.00 C ATOM 635 CG1 VAL A 39 -1.286 -6.408 -8.956 1.00 0.00 C ATOM 636 CG2 VAL A 39 -3.684 -6.926 -8.705 1.00 0.00 C ATOM 0 H VAL A 39 -2.942 -6.585 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.235 -8.524 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.565 -5.524 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.541 -5.694 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.385 -6.075 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.108 -7.387 -9.402 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.879 -6.222 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.540 -7.924 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.532 -6.936 -8.020 1.00 0.00 H new ATOM 646 N VAL A 40 0.166 -8.081 -6.807 1.00 0.00 N ATOM 647 CA VAL A 40 1.536 -8.012 -6.409 1.00 0.00 C ATOM 648 C VAL A 40 2.311 -7.118 -7.365 1.00 0.00 C ATOM 649 O VAL A 40 2.066 -7.132 -8.583 1.00 0.00 O ATOM 650 CB VAL A 40 2.206 -9.432 -6.261 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.130 -10.239 -7.546 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.656 -9.335 -5.779 1.00 0.00 C ATOM 0 H VAL A 40 -0.019 -8.750 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 40 1.566 -7.570 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 40 1.631 -9.959 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.604 -11.209 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.086 -10.385 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.645 -9.703 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.078 -10.336 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.240 -8.757 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.684 -8.843 -4.807 1.00 0.00 H new ATOM 662 N HIS A 41 3.196 -6.315 -6.826 1.00 0.00 N ATOM 663 CA HIS A 41 3.966 -5.427 -7.632 1.00 0.00 C ATOM 664 C HIS A 41 5.385 -5.455 -7.129 1.00 0.00 C ATOM 665 O HIS A 41 5.628 -5.235 -5.926 1.00 0.00 O ATOM 666 CB HIS A 41 3.399 -4.008 -7.518 1.00 0.00 C ATOM 667 CG HIS A 41 3.877 -3.002 -8.554 1.00 0.00 C ATOM 668 ND1 HIS A 41 4.880 -2.066 -8.348 1.00 0.00 N ATOM 669 CD2 HIS A 41 3.420 -2.768 -9.813 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.996 -1.333 -9.452 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.139 -1.719 -10.373 1.00 0.00 N ATOM 0 H HIS A 41 3.394 -6.265 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 41 3.932 -5.732 -8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.312 -4.069 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.643 -3.621 -6.529 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.433 -1.958 -7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.624 -3.311 -10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.702 -0.525 -9.576 1.00 0.00 H new ATOM 679 N ILE A 42 6.298 -5.774 -8.000 1.00 0.00 N ATOM 680 CA ILE A 42 7.691 -5.781 -7.648 1.00 0.00 C ATOM 681 C ILE A 42 8.181 -4.340 -7.693 1.00 0.00 C ATOM 682 O ILE A 42 7.781 -3.574 -8.584 1.00 0.00 O ATOM 683 CB ILE A 42 8.536 -6.710 -8.585 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.017 -6.734 -8.157 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.393 -6.301 -10.046 1.00 0.00 C ATOM 686 CD1 ILE A 42 10.903 -7.636 -8.999 1.00 0.00 C ATOM 0 H ILE A 42 6.102 -6.035 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 42 7.815 -6.192 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 42 8.144 -7.722 -8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.410 -5.718 -8.199 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.076 -7.056 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.991 -6.965 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.346 -6.370 -10.342 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.739 -5.275 -10.172 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.927 -7.591 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.540 -8.662 -8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.879 -7.303 -10.037 1.00 0.00 H new ATOM 698 N LYS A 43 8.982 -3.962 -6.708 1.00 0.00 N ATOM 699 CA LYS A 43 9.487 -2.601 -6.569 1.00 0.00 C ATOM 700 C LYS A 43 8.352 -1.621 -6.256 1.00 0.00 C ATOM 701 O LYS A 43 7.955 -0.836 -7.096 1.00 0.00 O ATOM 702 CB LYS A 43 10.331 -2.115 -7.777 1.00 0.00 C ATOM 703 CG LYS A 43 11.625 -2.874 -7.964 1.00 0.00 C ATOM 704 CD LYS A 43 12.405 -2.406 -9.177 1.00 0.00 C ATOM 705 CE LYS A 43 13.707 -3.179 -9.296 1.00 0.00 C ATOM 706 NZ LYS A 43 14.480 -2.800 -10.493 1.00 0.00 N ATOM 0 H LYS A 43 9.303 -4.595 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 43 10.174 -2.626 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.734 -2.205 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.557 -1.057 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.242 -2.758 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.407 -3.937 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.808 -2.545 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.614 -1.339 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.312 -3.005 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.490 -4.247 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.359 -3.355 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.915 -2.990 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.712 -1.787 -10.450 1.00 0.00 H new ATOM 720 N PRO A 44 7.696 -1.770 -5.093 1.00 0.00 N ATOM 721 CA PRO A 44 6.675 -0.864 -4.676 1.00 0.00 C ATOM 722 C PRO A 44 7.242 0.215 -3.752 1.00 0.00 C ATOM 723 O PRO A 44 8.158 -0.035 -2.965 1.00 0.00 O ATOM 724 CB PRO A 44 5.689 -1.760 -3.951 1.00 0.00 C ATOM 725 CG PRO A 44 6.491 -2.943 -3.492 1.00 0.00 C ATOM 726 CD PRO A 44 7.825 -2.881 -4.158 1.00 0.00 C ATOM 0 HA PRO A 44 6.219 -0.320 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.234 -1.242 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.878 -2.067 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.605 -2.929 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.980 -3.872 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.624 -2.707 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.058 -3.813 -4.674 1.00 0.00 H new ATOM 734 N GLY A 45 6.664 1.378 -3.802 1.00 0.00 N ATOM 735 CA GLY A 45 7.163 2.471 -3.037 1.00 0.00 C ATOM 736 C GLY A 45 6.091 3.456 -2.742 1.00 0.00 C ATOM 737 O GLY A 45 6.076 4.551 -3.298 1.00 0.00 O ATOM 0 H GLY A 45 5.843 1.590 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.587 2.101 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.970 2.961 -3.582 1.00 0.00 H new ATOM 741 N GLU A 46 5.146 3.012 -1.993 1.00 0.00 N ATOM 742 CA GLU A 46 4.046 3.810 -1.527 1.00 0.00 C ATOM 743 C GLU A 46 4.133 3.943 -0.031 1.00 0.00 C ATOM 744 O GLU A 46 4.213 2.956 0.701 1.00 0.00 O ATOM 745 CB GLU A 46 2.730 3.196 -2.000 1.00 0.00 C ATOM 746 CG GLU A 46 1.456 3.569 -1.264 1.00 0.00 C ATOM 747 CD GLU A 46 1.007 4.991 -1.450 1.00 0.00 C ATOM 748 OE1 GLU A 46 1.390 5.850 -0.652 1.00 0.00 O ATOM 749 OE2 GLU A 46 0.200 5.249 -2.373 1.00 0.00 O ATOM 0 H GLU A 46 5.107 2.045 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 46 4.090 4.816 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.598 3.461 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.834 2.112 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.657 2.906 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.603 3.387 -0.199 1.00 0.00 H new ATOM 756 N LYS A 47 4.174 5.153 0.402 1.00 0.00 N ATOM 757 CA LYS A 47 4.267 5.471 1.776 1.00 0.00 C ATOM 758 C LYS A 47 2.964 5.982 2.206 1.00 0.00 C ATOM 759 O LYS A 47 2.726 7.182 2.364 1.00 0.00 O ATOM 760 CB LYS A 47 5.336 6.454 2.018 1.00 0.00 C ATOM 761 CG LYS A 47 6.673 5.957 1.589 1.00 0.00 C ATOM 762 CD LYS A 47 7.673 7.042 1.572 1.00 0.00 C ATOM 763 CE LYS A 47 7.335 8.118 0.542 1.00 0.00 C ATOM 764 NZ LYS A 47 8.368 9.177 0.472 1.00 0.00 N ATOM 0 H LYS A 47 4.143 5.969 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 47 4.525 4.583 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.106 7.376 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.366 6.700 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.003 5.167 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.597 5.515 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.733 7.494 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.656 6.625 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.225 7.656 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.374 8.568 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.982 10.006 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.651 9.450 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.197 8.820 -0.045 1.00 0.00 H new ATOM 778 N ILE A 48 2.119 5.079 2.277 1.00 0.00 N ATOM 779 CA ILE A 48 0.762 5.321 2.635 1.00 0.00 C ATOM 780 C ILE A 48 0.610 5.569 4.099 1.00 0.00 C ATOM 781 O ILE A 48 0.599 4.633 4.888 1.00 0.00 O ATOM 782 CB ILE A 48 -0.231 4.202 2.244 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.353 2.771 2.361 1.00 0.00 C ATOM 784 CG2 ILE A 48 -0.999 4.471 0.983 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.630 1.661 2.036 1.00 0.00 C ATOM 0 H ILE A 48 2.327 4.099 2.086 1.00 0.00 H new ATOM 0 HA ILE A 48 0.507 6.208 2.054 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.998 4.233 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.210 2.687 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.723 2.625 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.672 3.637 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.580 5.386 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.304 4.585 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.137 0.695 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.477 1.714 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.983 1.776 1.011 1.00 0.00 H new ATOM 797 N LEU A 49 0.615 6.834 4.463 1.00 0.00 N ATOM 798 CA LEU A 49 0.382 7.339 5.839 1.00 0.00 C ATOM 799 C LEU A 49 1.461 6.898 6.841 1.00 0.00 C ATOM 800 O LEU A 49 1.475 7.337 7.990 1.00 0.00 O ATOM 801 CB LEU A 49 -1.004 6.887 6.412 1.00 0.00 C ATOM 802 CG LEU A 49 -2.271 6.864 5.503 1.00 0.00 C ATOM 803 CD1 LEU A 49 -2.265 7.862 4.381 1.00 0.00 C ATOM 804 CD2 LEU A 49 -2.628 5.464 5.036 1.00 0.00 C ATOM 0 H LEU A 49 0.787 7.586 3.795 1.00 0.00 H new ATOM 0 HA LEU A 49 0.413 8.423 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.875 5.880 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.228 7.536 7.259 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.076 7.200 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.186 7.769 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.193 8.870 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.411 7.673 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.517 5.506 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.798 5.049 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.825 4.831 5.901 1.00 0.00 H new ATOM 816 N GLY A 50 2.322 6.030 6.423 1.00 0.00 N ATOM 817 CA GLY A 50 3.331 5.488 7.291 1.00 0.00 C ATOM 818 C GLY A 50 2.842 4.191 7.946 1.00 0.00 C ATOM 819 O GLY A 50 3.605 3.505 8.624 1.00 0.00 O ATOM 0 H GLY A 50 2.351 5.672 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.241 5.294 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.585 6.217 8.061 1.00 0.00 H new ATOM 823 N ALA A 51 1.567 3.857 7.723 1.00 0.00 N ATOM 824 CA ALA A 51 0.943 2.669 8.267 1.00 0.00 C ATOM 825 C ALA A 51 -0.298 2.391 7.450 1.00 0.00 C ATOM 826 O ALA A 51 -0.891 3.316 6.908 1.00 0.00 O ATOM 827 CB ALA A 51 0.584 2.871 9.732 1.00 0.00 C ATOM 0 H ALA A 51 0.939 4.420 7.149 1.00 0.00 H new ATOM 0 HA ALA A 51 1.630 1.824 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.116 1.966 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.488 3.086 10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.110 3.706 9.825 1.00 0.00 H new ATOM 833 N ARG A 52 -0.700 1.157 7.365 1.00 0.00 N ATOM 834 CA ARG A 52 -1.842 0.800 6.554 1.00 0.00 C ATOM 835 C ARG A 52 -3.141 0.889 7.339 1.00 0.00 C ATOM 836 O ARG A 52 -3.467 -0.004 8.124 1.00 0.00 O ATOM 837 CB ARG A 52 -1.704 -0.614 5.985 1.00 0.00 C ATOM 838 CG ARG A 52 -0.421 -0.871 5.215 1.00 0.00 C ATOM 839 CD ARG A 52 -0.382 -2.294 4.674 1.00 0.00 C ATOM 840 NE ARG A 52 -0.609 -3.294 5.731 1.00 0.00 N ATOM 841 CZ ARG A 52 -0.035 -4.523 5.786 1.00 0.00 C ATOM 842 NH1 ARG A 52 0.904 -4.872 4.916 1.00 0.00 N ATOM 843 NH2 ARG A 52 -0.398 -5.393 6.719 1.00 0.00 N ATOM 0 H ARG A 52 -0.257 0.374 7.846 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.872 1.518 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.767 -1.328 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.551 -0.809 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.340 -0.163 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.437 -0.702 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.140 -2.408 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.584 -2.477 4.204 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.250 -3.043 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.202 -4.214 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.328 -5.798 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.113 -5.140 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.038 -6.315 6.754 1.00 0.00 H new ATOM 857 N ILE A 53 -3.850 1.959 7.157 1.00 0.00 N ATOM 858 CA ILE A 53 -5.133 2.133 7.776 1.00 0.00 C ATOM 859 C ILE A 53 -6.098 2.152 6.637 1.00 0.00 C ATOM 860 O ILE A 53 -6.005 3.006 5.793 1.00 0.00 O ATOM 861 CB ILE A 53 -5.288 3.452 8.618 1.00 0.00 C ATOM 862 CG1 ILE A 53 -4.355 3.498 9.852 1.00 0.00 C ATOM 863 CG2 ILE A 53 -6.733 3.636 9.073 1.00 0.00 C ATOM 864 CD1 ILE A 53 -2.909 3.809 9.553 1.00 0.00 C ATOM 0 H ILE A 53 -3.556 2.742 6.573 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.296 1.333 8.498 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.997 4.267 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.735 4.247 10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.405 2.536 10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.817 4.555 9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.384 3.697 8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.031 2.788 9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.339 3.818 10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.504 3.048 8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.838 4.786 9.074 1.00 0.00 H new ATOM 876 N ILE A 54 -6.994 1.210 6.609 1.00 0.00 N ATOM 877 CA ILE A 54 -7.925 1.071 5.526 1.00 0.00 C ATOM 878 C ILE A 54 -9.020 2.129 5.616 1.00 0.00 C ATOM 879 O ILE A 54 -9.413 2.718 4.630 1.00 0.00 O ATOM 880 CB ILE A 54 -8.601 -0.350 5.515 1.00 0.00 C ATOM 881 CG1 ILE A 54 -7.580 -1.517 5.426 1.00 0.00 C ATOM 882 CG2 ILE A 54 -9.584 -0.464 4.373 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.808 -1.835 6.699 1.00 0.00 C ATOM 0 H ILE A 54 -7.101 0.510 7.343 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.356 1.199 4.605 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.118 -0.440 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.113 -2.416 5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.862 -1.285 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.040 -1.454 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.359 0.294 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.062 -0.315 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.127 -2.666 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.236 -0.959 7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.507 -2.108 7.490 1.00 0.00 H new ATOM 895 N GLY A 55 -9.514 2.329 6.811 1.00 0.00 N ATOM 896 CA GLY A 55 -10.597 3.266 7.032 1.00 0.00 C ATOM 897 C GLY A 55 -11.944 2.579 6.889 1.00 0.00 C ATOM 898 O GLY A 55 -13.001 3.155 7.185 1.00 0.00 O ATOM 0 H GLY A 55 -9.185 1.856 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.510 3.701 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.525 4.087 6.318 1.00 0.00 H new ATOM 902 N ILE A 56 -11.889 1.363 6.414 1.00 0.00 N ATOM 903 CA ILE A 56 -13.019 0.498 6.228 1.00 0.00 C ATOM 904 C ILE A 56 -12.704 -0.765 6.988 1.00 0.00 C ATOM 905 O ILE A 56 -11.588 -1.240 6.871 1.00 0.00 O ATOM 906 CB ILE A 56 -13.168 0.101 4.714 1.00 0.00 C ATOM 907 CG1 ILE A 56 -13.332 1.341 3.837 1.00 0.00 C ATOM 908 CG2 ILE A 56 -14.339 -0.861 4.505 1.00 0.00 C ATOM 909 CD1 ILE A 56 -13.414 1.031 2.360 1.00 0.00 C ATOM 0 H ILE A 56 -11.010 0.929 6.133 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.932 0.992 6.561 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.253 -0.411 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.235 1.872 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.492 2.014 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.416 -1.117 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.173 -1.768 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.264 -0.385 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.530 1.959 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.501 0.527 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.270 0.384 2.171 1.00 0.00 H new ATOM 921 N PRO A 57 -13.613 -1.289 7.829 1.00 0.00 N ATOM 922 CA PRO A 57 -13.371 -2.552 8.529 1.00 0.00 C ATOM 923 C PRO A 57 -13.406 -3.710 7.514 1.00 0.00 C ATOM 924 O PRO A 57 -14.465 -4.034 6.973 1.00 0.00 O ATOM 925 CB PRO A 57 -14.554 -2.667 9.514 1.00 0.00 C ATOM 926 CG PRO A 57 -15.188 -1.313 9.531 1.00 0.00 C ATOM 927 CD PRO A 57 -14.915 -0.708 8.186 1.00 0.00 C ATOM 0 HA PRO A 57 -12.406 -2.589 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.263 -3.429 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.211 -2.953 10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.260 -1.387 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.770 -0.697 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.687 -0.967 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.874 0.380 8.232 1.00 0.00 H new ATOM 935 N PRO A 58 -12.255 -4.299 7.182 1.00 0.00 N ATOM 936 CA PRO A 58 -12.174 -5.347 6.209 1.00 0.00 C ATOM 937 C PRO A 58 -12.012 -6.699 6.864 1.00 0.00 C ATOM 938 O PRO A 58 -12.282 -6.867 8.061 1.00 0.00 O ATOM 939 CB PRO A 58 -10.875 -4.962 5.497 1.00 0.00 C ATOM 940 CG PRO A 58 -9.994 -4.413 6.592 1.00 0.00 C ATOM 941 CD PRO A 58 -10.915 -3.994 7.723 1.00 0.00 C ATOM 0 HA PRO A 58 -13.056 -5.434 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.417 -5.825 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.053 -4.218 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.283 -5.166 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.412 -3.564 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.712 -4.551 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.806 -2.936 7.963 1.00 0.00 H new ATOM 949 N VAL A 59 -11.614 -7.651 6.078 1.00 0.00 N ATOM 950 CA VAL A 59 -11.337 -8.962 6.570 1.00 0.00 C ATOM 951 C VAL A 59 -9.987 -8.859 7.281 1.00 0.00 C ATOM 952 O VAL A 59 -9.007 -8.511 6.665 1.00 0.00 O ATOM 953 CB VAL A 59 -11.272 -9.978 5.405 1.00 0.00 C ATOM 954 CG1 VAL A 59 -11.026 -11.390 5.914 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.549 -9.926 4.577 1.00 0.00 C ATOM 0 H VAL A 59 -11.472 -7.539 5.074 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.117 -9.313 7.245 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.431 -9.700 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.986 -12.079 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.080 -11.422 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.836 -11.682 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.484 -10.648 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.403 -10.168 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.675 -8.925 4.165 1.00 0.00 H new ATOM 965 N PRO A 60 -9.929 -9.097 8.580 1.00 0.00 N ATOM 966 CA PRO A 60 -8.714 -8.868 9.370 1.00 0.00 C ATOM 967 C PRO A 60 -7.713 -10.035 9.329 1.00 0.00 C ATOM 968 O PRO A 60 -7.115 -10.384 10.349 1.00 0.00 O ATOM 969 CB PRO A 60 -9.286 -8.697 10.775 1.00 0.00 C ATOM 970 CG PRO A 60 -10.474 -9.596 10.813 1.00 0.00 C ATOM 971 CD PRO A 60 -11.040 -9.612 9.415 1.00 0.00 C ATOM 0 HA PRO A 60 -8.134 -8.024 8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.556 -8.973 11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.567 -7.661 10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.191 -10.600 11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.213 -9.233 11.527 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.335 -10.617 9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.926 -8.983 9.335 1.00 0.00 H new ATOM 979 N ILE A 61 -7.475 -10.596 8.162 1.00 0.00 N ATOM 980 CA ILE A 61 -6.558 -11.718 8.065 1.00 0.00 C ATOM 981 C ILE A 61 -5.349 -11.268 7.224 1.00 0.00 C ATOM 982 O ILE A 61 -5.400 -10.203 6.593 1.00 0.00 O ATOM 983 CB ILE A 61 -7.277 -12.963 7.416 1.00 0.00 C ATOM 984 CG1 ILE A 61 -8.586 -13.266 8.171 1.00 0.00 C ATOM 985 CG2 ILE A 61 -6.384 -14.210 7.439 1.00 0.00 C ATOM 986 CD1 ILE A 61 -9.390 -14.416 7.592 1.00 0.00 C ATOM 0 H ILE A 61 -7.894 -10.302 7.280 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.222 -12.024 9.056 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.491 -12.713 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.348 -13.492 9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.206 -12.370 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.915 -15.046 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.469 -14.013 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.133 -14.459 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.294 -14.561 8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.662 -14.187 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.791 -15.327 7.615 1.00 0.00 H new ATOM 998 N GLY A 62 -4.255 -11.998 7.245 1.00 0.00 N ATOM 999 CA GLY A 62 -3.141 -11.622 6.422 1.00 0.00 C ATOM 1000 C GLY A 62 -1.863 -12.319 6.766 1.00 0.00 C ATOM 1001 O GLY A 62 -1.698 -12.822 7.882 1.00 0.00 O ATOM 0 H GLY A 62 -4.119 -12.836 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.386 -11.830 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.989 -10.546 6.505 1.00 0.00 H new ATOM 1005 N ILE A 63 -0.977 -12.402 5.792 1.00 0.00 N ATOM 1006 CA ILE A 63 0.319 -12.981 5.990 1.00 0.00 C ATOM 1007 C ILE A 63 1.432 -12.021 5.550 1.00 0.00 C ATOM 1008 O ILE A 63 1.883 -12.018 4.388 1.00 0.00 O ATOM 1009 CB ILE A 63 0.507 -14.405 5.358 1.00 0.00 C ATOM 1010 CG1 ILE A 63 0.188 -14.442 3.854 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -0.309 -15.444 6.109 1.00 0.00 C ATOM 1012 CD1 ILE A 63 0.426 -15.790 3.202 1.00 0.00 C ATOM 0 H ILE A 63 -1.145 -12.067 4.843 1.00 0.00 H new ATOM 0 HA ILE A 63 0.396 -13.140 7.066 1.00 0.00 H new ATOM 0 HB ILE A 63 1.565 -14.649 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.854 -14.159 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.796 -13.693 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.162 -16.422 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.014 -15.478 7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.365 -15.178 6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.177 -15.731 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.474 -16.068 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.202 -16.542 3.681 1.00 0.00 H new ATOM 1024 N ASP A 64 1.805 -11.142 6.451 1.00 0.00 N ATOM 1025 CA ASP A 64 2.894 -10.214 6.195 1.00 0.00 C ATOM 1026 C ASP A 64 4.171 -10.952 6.463 1.00 0.00 C ATOM 1027 O ASP A 64 4.573 -11.108 7.620 1.00 0.00 O ATOM 1028 CB ASP A 64 2.837 -8.939 7.082 1.00 0.00 C ATOM 1029 CG ASP A 64 1.771 -7.923 6.696 1.00 0.00 C ATOM 1030 OD1 ASP A 64 1.995 -7.141 5.764 1.00 0.00 O ATOM 1031 OD2 ASP A 64 0.712 -7.848 7.364 1.00 0.00 O ATOM 0 H ASP A 64 1.373 -11.046 7.370 1.00 0.00 H new ATOM 0 HA ASP A 64 2.821 -9.868 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.668 -9.243 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.810 -8.450 7.049 1.00 0.00 H new ATOM 1036 N GLU A 65 4.772 -11.490 5.426 1.00 0.00 N ATOM 1037 CA GLU A 65 5.968 -12.260 5.601 1.00 0.00 C ATOM 1038 C GLU A 65 7.153 -11.361 5.827 1.00 0.00 C ATOM 1039 O GLU A 65 7.808 -11.435 6.860 1.00 0.00 O ATOM 1040 CB GLU A 65 6.181 -13.198 4.418 1.00 0.00 C ATOM 1041 CG GLU A 65 5.039 -14.191 4.222 1.00 0.00 C ATOM 1042 CD GLU A 65 4.839 -15.113 5.408 1.00 0.00 C ATOM 1043 OE1 GLU A 65 4.091 -14.761 6.339 1.00 0.00 O ATOM 1044 OE2 GLU A 65 5.429 -16.212 5.418 1.00 0.00 O ATOM 0 H GLU A 65 4.450 -11.406 4.462 1.00 0.00 H new ATOM 0 HA GLU A 65 5.857 -12.879 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.298 -12.606 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.111 -13.748 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.116 -13.641 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.236 -14.790 3.333 1.00 0.00 H new ATOM 1051 N GLU A 66 7.381 -10.483 4.902 1.00 0.00 N ATOM 1052 CA GLU A 66 8.491 -9.575 4.943 1.00 0.00 C ATOM 1053 C GLU A 66 8.179 -8.546 3.865 1.00 0.00 C ATOM 1054 O GLU A 66 7.243 -8.769 3.090 1.00 0.00 O ATOM 1055 CB GLU A 66 9.789 -10.387 4.683 1.00 0.00 C ATOM 1056 CG GLU A 66 11.072 -9.817 5.272 1.00 0.00 C ATOM 1057 CD GLU A 66 11.829 -8.951 4.329 1.00 0.00 C ATOM 1058 OE1 GLU A 66 11.498 -7.773 4.225 1.00 0.00 O ATOM 1059 OE2 GLU A 66 12.783 -9.456 3.679 1.00 0.00 O ATOM 0 H GLU A 66 6.790 -10.372 4.078 1.00 0.00 H new ATOM 0 HA GLU A 66 8.642 -9.069 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.648 -11.393 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.921 -10.484 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.827 -9.241 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.712 -10.640 5.590 1.00 0.00 H new ATOM 1066 N ARG A 67 8.910 -7.469 3.792 1.00 0.00 N ATOM 1067 CA ARG A 67 8.615 -6.420 2.825 1.00 0.00 C ATOM 1068 C ARG A 67 9.342 -6.733 1.546 1.00 0.00 C ATOM 1069 O ARG A 67 8.884 -6.433 0.436 1.00 0.00 O ATOM 1070 CB ARG A 67 9.044 -5.053 3.374 1.00 0.00 C ATOM 1071 CG ARG A 67 8.153 -3.872 2.951 1.00 0.00 C ATOM 1072 CD ARG A 67 8.169 -3.565 1.454 1.00 0.00 C ATOM 1073 NE ARG A 67 7.064 -2.645 1.092 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.021 -1.788 0.057 1.00 0.00 C ATOM 1075 NH1 ARG A 67 8.127 -1.540 -0.661 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.868 -1.149 -0.219 1.00 0.00 N ATOM 0 H ARG A 67 9.718 -7.284 4.386 1.00 0.00 H new ATOM 0 HA ARG A 67 7.543 -6.379 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.060 -5.105 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.065 -4.852 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.127 -4.081 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.471 -2.982 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.125 -3.118 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.077 -4.492 0.887 1.00 0.00 H new ATOM 0 HE ARG A 67 6.243 -2.665 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.004 -2.002 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.090 -0.889 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.041 -1.318 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.821 -0.496 -1.001 1.00 0.00 H new ATOM 1090 N SER A 68 10.455 -7.347 1.707 1.00 0.00 N ATOM 1091 CA SER A 68 11.266 -7.768 0.626 1.00 0.00 C ATOM 1092 C SER A 68 10.923 -9.218 0.274 1.00 0.00 C ATOM 1093 O SER A 68 11.754 -10.016 -0.148 1.00 0.00 O ATOM 1094 CB SER A 68 12.693 -7.596 1.048 1.00 0.00 C ATOM 1095 OG SER A 68 12.870 -6.284 1.543 1.00 0.00 O ATOM 0 H SER A 68 10.839 -7.578 2.623 1.00 0.00 H new ATOM 0 HA SER A 68 11.094 -7.178 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.949 -8.326 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.360 -7.773 0.204 1.00 0.00 H new ATOM 0 HG SER A 68 13.502 -5.801 0.971 1.00 0.00 H new ATOM 1101 N THR A 69 9.675 -9.512 0.429 1.00 0.00 N ATOM 1102 CA THR A 69 9.072 -10.781 0.157 1.00 0.00 C ATOM 1103 C THR A 69 7.607 -10.460 -0.129 1.00 0.00 C ATOM 1104 O THR A 69 7.178 -9.342 0.143 1.00 0.00 O ATOM 1105 CB THR A 69 9.208 -11.727 1.395 1.00 0.00 C ATOM 1106 OG1 THR A 69 10.598 -11.872 1.734 1.00 0.00 O ATOM 1107 CG2 THR A 69 8.629 -13.117 1.131 1.00 0.00 C ATOM 0 H THR A 69 9.001 -8.828 0.772 1.00 0.00 H new ATOM 0 HA THR A 69 9.546 -11.298 -0.677 1.00 0.00 H new ATOM 0 HB THR A 69 8.647 -11.273 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.685 -12.463 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.748 -13.736 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.570 -13.030 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.156 -13.578 0.295 1.00 0.00 H new ATOM 1115 N VAL A 70 6.858 -11.385 -0.666 1.00 0.00 N ATOM 1116 CA VAL A 70 5.492 -11.122 -0.994 1.00 0.00 C ATOM 1117 C VAL A 70 4.614 -11.179 0.246 1.00 0.00 C ATOM 1118 O VAL A 70 4.396 -12.246 0.848 1.00 0.00 O ATOM 1119 CB VAL A 70 4.937 -12.048 -2.138 1.00 0.00 C ATOM 1120 CG1 VAL A 70 5.633 -11.764 -3.454 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.051 -13.536 -1.798 1.00 0.00 C ATOM 0 H VAL A 70 7.176 -12.329 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 70 5.460 -10.108 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 70 3.877 -11.814 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.230 -12.418 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.468 -10.724 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.702 -11.945 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.653 -14.129 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.098 -13.793 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.483 -13.747 -0.892 1.00 0.00 H new ATOM 1131 N MET A 71 4.206 -10.031 0.693 1.00 0.00 N ATOM 1132 CA MET A 71 3.313 -9.956 1.812 1.00 0.00 C ATOM 1133 C MET A 71 1.918 -10.077 1.271 1.00 0.00 C ATOM 1134 O MET A 71 1.530 -9.326 0.379 1.00 0.00 O ATOM 1135 CB MET A 71 3.484 -8.652 2.627 1.00 0.00 C ATOM 1136 CG MET A 71 3.203 -7.354 1.863 1.00 0.00 C ATOM 1137 SD MET A 71 3.353 -5.878 2.895 1.00 0.00 S ATOM 1138 CE MET A 71 5.051 -6.044 3.423 1.00 0.00 C ATOM 0 H MET A 71 4.477 -9.130 0.300 1.00 0.00 H new ATOM 0 HA MET A 71 3.536 -10.763 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.821 -8.695 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.504 -8.614 3.009 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.895 -7.276 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.198 -7.396 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.368 -5.129 3.923 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.137 -6.883 4.114 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.686 -6.222 2.555 1.00 0.00 H new ATOM 1148 N ILE A 72 1.182 -11.029 1.749 1.00 0.00 N ATOM 1149 CA ILE A 72 -0.144 -11.226 1.242 1.00 0.00 C ATOM 1150 C ILE A 72 -1.152 -11.047 2.356 1.00 0.00 C ATOM 1151 O ILE A 72 -1.481 -11.989 3.077 1.00 0.00 O ATOM 1152 CB ILE A 72 -0.338 -12.621 0.560 1.00 0.00 C ATOM 1153 CG1 ILE A 72 0.733 -12.845 -0.523 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -1.736 -12.713 -0.065 1.00 0.00 C ATOM 1155 CD1 ILE A 72 0.668 -14.200 -1.202 1.00 0.00 C ATOM 0 H ILE A 72 1.470 -11.678 2.482 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.304 -10.475 0.469 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.235 -13.394 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.633 -12.068 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.718 -12.726 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.860 -13.688 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.491 -12.587 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.852 -11.930 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.458 -14.271 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.800 -14.986 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.301 -14.318 -1.686 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.583 -9.825 2.611 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.579 -9.591 3.599 1.00 0.00 C ATOM 1169 C PRO A 73 -3.920 -10.023 3.037 1.00 0.00 C ATOM 1170 O PRO A 73 -4.147 -9.984 1.829 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.535 -8.070 3.849 1.00 0.00 C ATOM 1172 CG PRO A 73 -1.356 -7.574 3.069 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.135 -8.578 1.980 1.00 0.00 C ATOM 0 HA PRO A 73 -2.420 -10.142 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.456 -7.590 3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.425 -7.849 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.549 -6.584 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.475 -7.487 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.714 -8.343 1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.089 -8.628 1.678 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.779 -10.446 3.879 1.00 0.00 N ATOM 1182 CA TYR A 74 -6.058 -10.906 3.469 1.00 0.00 C ATOM 1183 C TYR A 74 -7.080 -9.947 3.992 1.00 0.00 C ATOM 1184 O TYR A 74 -8.119 -10.321 4.529 1.00 0.00 O ATOM 1185 CB TYR A 74 -6.298 -12.331 3.956 1.00 0.00 C ATOM 1186 CG TYR A 74 -5.319 -13.339 3.394 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -5.333 -13.665 2.052 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -4.389 -13.963 4.207 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -4.453 -14.584 1.532 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -3.505 -14.878 3.697 1.00 0.00 C ATOM 1191 CZ TYR A 74 -3.541 -15.186 2.358 1.00 0.00 C ATOM 1192 OH TYR A 74 -2.663 -16.106 1.850 1.00 0.00 O ATOM 0 H TYR A 74 -4.619 -10.486 4.886 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.126 -10.941 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.239 -12.348 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.310 -12.632 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.049 -13.189 1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.359 -13.725 5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.480 -14.829 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.784 -15.355 4.344 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.471 -15.892 0.913 1.00 0.00 H new ATOM 1202 N THR A 75 -6.736 -8.696 3.889 1.00 0.00 N ATOM 1203 CA THR A 75 -7.607 -7.670 4.267 1.00 0.00 C ATOM 1204 C THR A 75 -8.323 -7.226 3.030 1.00 0.00 C ATOM 1205 O THR A 75 -7.740 -6.543 2.172 1.00 0.00 O ATOM 1206 CB THR A 75 -6.874 -6.485 4.906 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.840 -6.008 4.010 1.00 0.00 O ATOM 1208 CG2 THR A 75 -6.257 -6.862 6.242 1.00 0.00 C ATOM 0 H THR A 75 -5.833 -8.378 3.536 1.00 0.00 H new ATOM 0 HA THR A 75 -8.299 -8.043 5.022 1.00 0.00 H new ATOM 0 HB THR A 75 -7.605 -5.696 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.172 -6.027 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.746 -5.996 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.041 -7.190 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.541 -7.671 6.097 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.532 -7.645 2.899 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.311 -7.343 1.740 1.00 0.00 C ATOM 1218 C LYS A 76 -11.285 -6.231 2.055 1.00 0.00 C ATOM 1219 O LYS A 76 -12.255 -6.445 2.777 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.053 -8.594 1.234 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.891 -8.344 -0.012 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.621 -9.594 -0.466 1.00 0.00 C ATOM 1223 CE LYS A 76 -13.543 -9.284 -1.631 1.00 0.00 C ATOM 1224 NZ LYS A 76 -14.317 -10.454 -2.072 1.00 0.00 N ATOM 0 H LYS A 76 -10.016 -8.211 3.595 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.643 -7.012 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.325 -9.377 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.700 -8.968 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.615 -7.555 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.247 -7.988 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.899 -10.356 -0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.199 -10.005 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.229 -8.487 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.952 -8.909 -2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.929 -10.185 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.666 -11.207 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.904 -10.798 -1.286 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.977 -5.012 1.618 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.830 -3.879 1.791 1.00 0.00 C ATOM 1240 C PRO A 77 -12.546 -3.571 0.509 1.00 0.00 C ATOM 1241 O PRO A 77 -12.634 -4.413 -0.384 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.821 -2.780 2.114 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.529 -3.215 1.475 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.743 -4.611 0.949 1.00 0.00 C ATOM 0 HA PRO A 77 -12.603 -4.010 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.149 -1.818 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.704 -2.659 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.251 -2.537 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.715 -3.197 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.846 -4.625 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.912 -5.271 1.199 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.005 -2.377 0.393 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.719 -1.953 -0.781 1.00 0.00 C ATOM 1254 C CYS A 78 -12.755 -1.291 -1.777 1.00 0.00 C ATOM 1255 O CYS A 78 -13.142 -0.510 -2.636 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.796 -1.017 -0.334 1.00 0.00 C ATOM 1257 SG CYS A 78 -15.983 -1.782 0.787 1.00 0.00 S ATOM 0 H CYS A 78 -12.901 -1.655 1.106 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.168 -2.800 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -14.340 -0.159 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -15.325 -0.638 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.882 -0.908 1.130 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.518 -1.679 -1.666 1.00 0.00 N ATOM 1264 CA TYR A 79 -10.431 -1.175 -2.462 1.00 0.00 C ATOM 1265 C TYR A 79 -9.704 -2.360 -3.056 1.00 0.00 C ATOM 1266 O TYR A 79 -9.893 -2.698 -4.212 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.514 -0.349 -1.541 1.00 0.00 C ATOM 1268 CG TYR A 79 -8.194 0.188 -2.096 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -7.056 -0.614 -2.114 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.059 1.509 -2.490 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -5.843 -0.133 -2.516 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -6.829 2.009 -2.873 1.00 0.00 C ATOM 1273 CZ TYR A 79 -5.726 1.175 -2.884 1.00 0.00 C ATOM 1274 OH TYR A 79 -4.490 1.675 -3.211 1.00 0.00 O ATOM 0 H TYR A 79 -11.224 -2.385 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.774 -0.535 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.091 0.503 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.280 -0.964 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.135 -1.645 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.924 2.155 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.982 -0.784 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.730 3.045 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.240 2.373 -2.571 1.00 0.00 H new ATOM 1284 N GLY A 80 -8.948 -3.024 -2.223 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.185 -4.148 -2.623 1.00 0.00 C ATOM 1286 C GLY A 80 -7.060 -4.337 -1.653 1.00 0.00 C ATOM 1287 O GLY A 80 -6.994 -3.627 -0.641 1.00 0.00 O ATOM 0 H GLY A 80 -8.852 -2.786 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.812 -5.039 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.794 -4.000 -3.630 1.00 0.00 H new ATOM 1291 N THR A 81 -6.199 -5.254 -1.917 1.00 0.00 N ATOM 1292 CA THR A 81 -5.112 -5.522 -1.032 1.00 0.00 C ATOM 1293 C THR A 81 -3.784 -5.339 -1.777 1.00 0.00 C ATOM 1294 O THR A 81 -3.719 -5.513 -3.001 1.00 0.00 O ATOM 1295 CB THR A 81 -5.218 -6.955 -0.499 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.587 -7.232 -0.147 1.00 0.00 O ATOM 1297 CG2 THR A 81 -4.367 -7.111 0.736 1.00 0.00 C ATOM 0 H THR A 81 -6.224 -5.842 -2.750 1.00 0.00 H new ATOM 0 HA THR A 81 -5.151 -4.827 -0.193 1.00 0.00 H new ATOM 0 HB THR A 81 -4.876 -7.645 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.799 -6.801 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.449 -8.132 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.327 -6.896 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.709 -6.417 1.504 1.00 0.00 H new ATOM 1305 N ALA A 82 -2.751 -4.992 -1.050 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.456 -4.742 -1.619 1.00 0.00 C ATOM 1307 C ALA A 82 -0.505 -5.876 -1.340 1.00 0.00 C ATOM 1308 O ALA A 82 -0.152 -6.122 -0.190 1.00 0.00 O ATOM 1309 CB ALA A 82 -0.877 -3.464 -1.027 1.00 0.00 C ATOM 0 H ALA A 82 -2.789 -4.875 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.578 -4.644 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.106 -3.275 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.539 -2.627 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.783 -3.574 0.053 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.137 -6.586 -2.362 1.00 0.00 N ATOM 1316 CA VAL A 83 0.836 -7.626 -2.229 1.00 0.00 C ATOM 1317 C VAL A 83 2.094 -7.002 -2.778 1.00 0.00 C ATOM 1318 O VAL A 83 2.326 -6.964 -3.959 1.00 0.00 O ATOM 1319 CB VAL A 83 0.456 -8.914 -3.022 1.00 0.00 C ATOM 1320 CG1 VAL A 83 1.489 -10.012 -2.802 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.932 -9.404 -2.624 1.00 0.00 C ATOM 0 H VAL A 83 -0.500 -6.462 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 83 0.932 -7.963 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 83 0.443 -8.663 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.202 -10.900 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.465 -9.667 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.540 -10.256 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.176 -10.303 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.946 -9.631 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.667 -8.629 -2.840 1.00 0.00 H new ATOM 1331 N VAL A 84 2.831 -6.403 -1.940 1.00 0.00 N ATOM 1332 CA VAL A 84 3.987 -5.708 -2.383 1.00 0.00 C ATOM 1333 C VAL A 84 5.246 -6.472 -2.064 1.00 0.00 C ATOM 1334 O VAL A 84 5.374 -7.054 -0.983 1.00 0.00 O ATOM 1335 CB VAL A 84 4.001 -4.269 -1.794 1.00 0.00 C ATOM 1336 CG1 VAL A 84 2.744 -3.541 -2.220 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.119 -4.269 -0.280 1.00 0.00 C ATOM 0 H VAL A 84 2.664 -6.372 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 84 3.951 -5.622 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 84 4.880 -3.756 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.751 -2.532 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.705 -3.489 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.870 -4.077 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.125 -3.242 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.272 -4.802 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.046 -4.763 0.013 1.00 0.00 H new ATOM 1347 N GLU A 85 6.136 -6.537 -3.027 1.00 0.00 N ATOM 1348 CA GLU A 85 7.392 -7.190 -2.834 1.00 0.00 C ATOM 1349 C GLU A 85 8.501 -6.288 -3.314 1.00 0.00 C ATOM 1350 O GLU A 85 8.579 -5.929 -4.502 1.00 0.00 O ATOM 1351 CB GLU A 85 7.461 -8.538 -3.547 1.00 0.00 C ATOM 1352 CG GLU A 85 8.790 -9.241 -3.321 1.00 0.00 C ATOM 1353 CD GLU A 85 8.928 -10.542 -4.047 1.00 0.00 C ATOM 1354 OE1 GLU A 85 8.719 -10.579 -5.274 1.00 0.00 O ATOM 1355 OE2 GLU A 85 9.331 -11.540 -3.415 1.00 0.00 O ATOM 0 H GLU A 85 6.003 -6.139 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 85 7.506 -7.389 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.650 -9.175 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.308 -8.390 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.597 -8.577 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.917 -9.419 -2.253 1.00 0.00 H new ATOM 1362 N LEU A 86 9.324 -5.885 -2.415 1.00 0.00 N ATOM 1363 CA LEU A 86 10.414 -5.034 -2.746 1.00 0.00 C ATOM 1364 C LEU A 86 11.672 -5.894 -2.867 1.00 0.00 C ATOM 1365 O LEU A 86 11.998 -6.612 -1.957 1.00 0.00 O ATOM 1366 CB LEU A 86 10.590 -3.987 -1.648 1.00 0.00 C ATOM 1367 CG LEU A 86 11.616 -2.885 -1.914 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.132 -1.916 -2.980 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.992 -2.162 -0.632 1.00 0.00 C ATOM 0 H LEU A 86 9.263 -6.135 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 86 10.229 -4.520 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.623 -3.517 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.872 -4.501 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 86 12.517 -3.362 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.887 -1.147 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.958 -2.456 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.203 -1.449 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.723 -1.384 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.102 -1.709 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.421 -2.873 0.074 1.00 0.00 H new ATOM 1381 N PRO A 87 12.384 -5.843 -3.995 1.00 0.00 N ATOM 1382 CA PRO A 87 13.617 -6.629 -4.186 1.00 0.00 C ATOM 1383 C PRO A 87 14.829 -5.954 -3.533 1.00 0.00 C ATOM 1384 O PRO A 87 15.973 -6.359 -3.725 1.00 0.00 O ATOM 1385 CB PRO A 87 13.763 -6.665 -5.698 1.00 0.00 C ATOM 1386 CG PRO A 87 13.171 -5.383 -6.151 1.00 0.00 C ATOM 1387 CD PRO A 87 12.051 -5.064 -5.193 1.00 0.00 C ATOM 0 HA PRO A 87 13.565 -7.617 -3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.808 -6.748 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.240 -7.519 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.918 -4.590 -6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.796 -5.468 -7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.002 -3.997 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.082 -5.351 -5.601 1.00 0.00 H new ATOM 1395 N VAL A 88 14.549 -4.917 -2.786 1.00 0.00 N ATOM 1396 CA VAL A 88 15.542 -4.183 -2.047 1.00 0.00 C ATOM 1397 C VAL A 88 15.349 -4.629 -0.617 1.00 0.00 C ATOM 1398 O VAL A 88 14.276 -5.110 -0.294 1.00 0.00 O ATOM 1399 CB VAL A 88 15.319 -2.637 -2.142 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.495 -1.862 -1.568 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.028 -2.198 -3.572 1.00 0.00 C ATOM 0 H VAL A 88 13.603 -4.552 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 88 16.543 -4.373 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 88 14.442 -2.407 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.302 -0.793 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.627 -2.125 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.400 -2.112 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.879 -1.119 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.869 -2.464 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.128 -2.697 -3.930 1.00 0.00 H new ATOM 1411 N ASP A 89 16.342 -4.494 0.208 1.00 0.00 N ATOM 1412 CA ASP A 89 16.268 -4.942 1.595 1.00 0.00 C ATOM 1413 C ASP A 89 15.262 -4.141 2.416 1.00 0.00 C ATOM 1414 O ASP A 89 15.019 -2.953 2.138 1.00 0.00 O ATOM 1415 CB ASP A 89 17.636 -4.880 2.250 1.00 0.00 C ATOM 1416 CG ASP A 89 18.575 -5.939 1.771 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.179 -5.768 0.701 1.00 0.00 O ATOM 1418 OD2 ASP A 89 18.767 -6.931 2.485 1.00 0.00 O ATOM 0 H ASP A 89 17.235 -4.071 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 89 15.922 -5.975 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.077 -3.902 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.518 -4.972 3.330 1.00 0.00 H new ATOM 1423 N PRO A 90 14.688 -4.765 3.479 1.00 0.00 N ATOM 1424 CA PRO A 90 13.668 -4.137 4.343 1.00 0.00 C ATOM 1425 C PRO A 90 14.229 -2.972 5.152 1.00 0.00 C ATOM 1426 O PRO A 90 13.492 -2.236 5.798 1.00 0.00 O ATOM 1427 CB PRO A 90 13.247 -5.265 5.286 1.00 0.00 C ATOM 1428 CG PRO A 90 14.406 -6.190 5.299 1.00 0.00 C ATOM 1429 CD PRO A 90 14.961 -6.159 3.913 1.00 0.00 C ATOM 0 HA PRO A 90 12.850 -3.720 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.030 -4.887 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.345 -5.764 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.152 -5.873 6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.099 -7.199 5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.027 -6.385 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.472 -6.887 3.265 1.00 0.00 H new ATOM 1437 N GLU A 91 15.540 -2.802 5.083 1.00 0.00 N ATOM 1438 CA GLU A 91 16.243 -1.721 5.747 1.00 0.00 C ATOM 1439 C GLU A 91 15.724 -0.368 5.249 1.00 0.00 C ATOM 1440 O GLU A 91 15.798 0.641 5.952 1.00 0.00 O ATOM 1441 CB GLU A 91 17.752 -1.849 5.494 1.00 0.00 C ATOM 1442 CG GLU A 91 18.141 -1.859 4.021 1.00 0.00 C ATOM 1443 CD GLU A 91 19.624 -2.043 3.818 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.369 -1.059 3.922 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.070 -3.170 3.542 1.00 0.00 O ATOM 0 H GLU A 91 16.153 -3.423 4.555 1.00 0.00 H new ATOM 0 HA GLU A 91 16.062 -1.783 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.263 -1.022 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.110 -2.768 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.605 -2.661 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.827 -0.923 3.559 1.00 0.00 H new ATOM 1452 N GLU A 92 15.173 -0.368 4.040 1.00 0.00 N ATOM 1453 CA GLU A 92 14.609 0.819 3.441 1.00 0.00 C ATOM 1454 C GLU A 92 13.403 1.340 4.244 1.00 0.00 C ATOM 1455 O GLU A 92 13.155 2.532 4.278 1.00 0.00 O ATOM 1456 CB GLU A 92 14.217 0.532 1.987 1.00 0.00 C ATOM 1457 CG GLU A 92 13.598 1.713 1.246 1.00 0.00 C ATOM 1458 CD GLU A 92 14.526 2.902 1.083 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.958 3.507 2.078 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.840 3.263 -0.057 1.00 0.00 O ATOM 0 H GLU A 92 15.109 -1.199 3.452 1.00 0.00 H new ATOM 0 HA GLU A 92 15.367 1.603 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.104 0.205 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.511 -0.298 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.276 1.380 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.704 2.035 1.781 1.00 0.00 H new ATOM 1467 N ILE A 93 12.707 0.445 4.941 1.00 0.00 N ATOM 1468 CA ILE A 93 11.508 0.813 5.714 1.00 0.00 C ATOM 1469 C ILE A 93 11.839 1.862 6.768 1.00 0.00 C ATOM 1470 O ILE A 93 11.101 2.805 6.936 1.00 0.00 O ATOM 1471 CB ILE A 93 10.872 -0.413 6.422 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.456 -1.485 5.412 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.671 -0.001 7.291 1.00 0.00 C ATOM 1474 CD1 ILE A 93 9.934 -2.749 6.064 1.00 0.00 C ATOM 0 H ILE A 93 12.948 -0.545 4.991 1.00 0.00 H new ATOM 0 HA ILE A 93 10.793 1.217 4.997 1.00 0.00 H new ATOM 0 HB ILE A 93 11.634 -0.837 7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.687 -1.078 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.311 -1.734 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.250 -0.884 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.999 0.706 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.912 0.467 6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.657 -3.468 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.710 -3.178 6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.060 -2.511 6.670 1.00 0.00 H new ATOM 1486 N GLU A 94 12.980 1.704 7.426 1.00 0.00 N ATOM 1487 CA GLU A 94 13.403 2.621 8.496 1.00 0.00 C ATOM 1488 C GLU A 94 13.530 4.028 7.942 1.00 0.00 C ATOM 1489 O GLU A 94 12.987 4.998 8.486 1.00 0.00 O ATOM 1490 CB GLU A 94 14.758 2.191 9.050 1.00 0.00 C ATOM 1491 CG GLU A 94 14.835 0.735 9.441 1.00 0.00 C ATOM 1492 CD GLU A 94 16.168 0.373 10.040 1.00 0.00 C ATOM 1493 OE1 GLU A 94 17.172 0.299 9.307 1.00 0.00 O ATOM 1494 OE2 GLU A 94 16.236 0.155 11.263 1.00 0.00 O ATOM 0 H GLU A 94 13.638 0.947 7.242 1.00 0.00 H new ATOM 0 HA GLU A 94 12.657 2.597 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.525 2.396 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.992 2.802 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.045 0.511 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.654 0.115 8.563 1.00 0.00 H new ATOM 1501 N ARG A 95 14.192 4.103 6.817 1.00 0.00 N ATOM 1502 CA ARG A 95 14.452 5.339 6.147 1.00 0.00 C ATOM 1503 C ARG A 95 13.114 5.890 5.619 1.00 0.00 C ATOM 1504 O ARG A 95 12.810 7.079 5.768 1.00 0.00 O ATOM 1505 CB ARG A 95 15.488 5.056 5.030 1.00 0.00 C ATOM 1506 CG ARG A 95 16.151 6.269 4.383 1.00 0.00 C ATOM 1507 CD ARG A 95 15.238 7.014 3.442 1.00 0.00 C ATOM 1508 NE ARG A 95 14.873 6.222 2.261 1.00 0.00 N ATOM 1509 CZ ARG A 95 14.463 6.745 1.110 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.348 8.066 0.982 1.00 0.00 N ATOM 1511 NH2 ARG A 95 14.203 5.956 0.077 1.00 0.00 N ATOM 0 H ARG A 95 14.571 3.287 6.336 1.00 0.00 H new ATOM 0 HA ARG A 95 14.874 6.100 6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.271 4.422 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.995 4.481 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.490 6.949 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 95 17.037 5.943 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.332 7.303 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.726 7.934 3.121 1.00 0.00 H new ATOM 0 HE ARG A 95 14.938 5.206 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.575 8.676 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.033 8.467 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.318 4.946 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.888 6.359 -0.806 1.00 0.00 H new ATOM 1525 N ILE A 96 12.308 4.995 5.082 1.00 0.00 N ATOM 1526 CA ILE A 96 10.996 5.300 4.545 1.00 0.00 C ATOM 1527 C ILE A 96 10.001 5.758 5.611 1.00 0.00 C ATOM 1528 O ILE A 96 9.120 6.520 5.317 1.00 0.00 O ATOM 1529 CB ILE A 96 10.440 4.102 3.704 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.925 4.185 2.244 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.920 3.908 3.807 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.360 3.106 1.331 1.00 0.00 C ATOM 0 H ILE A 96 12.555 4.008 5.005 1.00 0.00 H new ATOM 0 HA ILE A 96 11.124 6.151 3.876 1.00 0.00 H new ATOM 0 HB ILE A 96 10.857 3.200 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.658 5.162 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.013 4.121 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.619 3.058 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.647 3.722 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.414 4.807 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.753 3.240 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.649 2.124 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.273 3.181 1.309 1.00 0.00 H new ATOM 1544 N LEU A 97 10.163 5.315 6.834 1.00 0.00 N ATOM 1545 CA LEU A 97 9.255 5.690 7.911 1.00 0.00 C ATOM 1546 C LEU A 97 9.375 7.182 8.211 1.00 0.00 C ATOM 1547 O LEU A 97 8.385 7.859 8.483 1.00 0.00 O ATOM 1548 CB LEU A 97 9.532 4.855 9.171 1.00 0.00 C ATOM 1549 CG LEU A 97 8.582 5.077 10.360 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.148 4.705 9.997 1.00 0.00 C ATOM 1551 CD2 LEU A 97 9.048 4.282 11.566 1.00 0.00 C ATOM 0 H LEU A 97 10.918 4.690 7.118 1.00 0.00 H new ATOM 0 HA LEU A 97 8.234 5.485 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.496 3.801 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.549 5.064 9.503 1.00 0.00 H new ATOM 0 HG LEU A 97 8.600 6.137 10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.500 4.872 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.812 5.322 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.106 3.654 9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.365 4.450 12.399 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.064 3.221 11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.050 4.603 11.848 1.00 0.00 H new ATOM 1563 N GLU A 98 10.584 7.690 8.128 1.00 0.00 N ATOM 1564 CA GLU A 98 10.842 9.100 8.359 1.00 0.00 C ATOM 1565 C GLU A 98 10.439 9.889 7.116 1.00 0.00 C ATOM 1566 O GLU A 98 9.866 10.977 7.186 1.00 0.00 O ATOM 1567 CB GLU A 98 12.328 9.288 8.622 1.00 0.00 C ATOM 1568 CG GLU A 98 12.741 10.698 9.008 1.00 0.00 C ATOM 1569 CD GLU A 98 12.090 11.163 10.284 1.00 0.00 C ATOM 1570 OE1 GLU A 98 12.608 10.867 11.369 1.00 0.00 O ATOM 1571 OE2 GLU A 98 11.056 11.842 10.223 1.00 0.00 O ATOM 0 H GLU A 98 11.415 7.144 7.900 1.00 0.00 H new ATOM 0 HA GLU A 98 10.269 9.454 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.629 8.607 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.879 8.997 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.824 10.737 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.480 11.383 8.201 1.00 0.00 H new ATOM 1578 N VAL A 99 10.693 9.286 5.989 1.00 0.00 N ATOM 1579 CA VAL A 99 10.444 9.873 4.692 1.00 0.00 C ATOM 1580 C VAL A 99 9.014 9.501 4.196 1.00 0.00 C ATOM 1581 O VAL A 99 8.687 9.668 3.046 1.00 0.00 O ATOM 1582 CB VAL A 99 11.579 9.380 3.697 1.00 0.00 C ATOM 1583 CG1 VAL A 99 11.444 9.943 2.280 1.00 0.00 C ATOM 1584 CG2 VAL A 99 12.938 9.783 4.243 1.00 0.00 C ATOM 0 H VAL A 99 11.090 8.348 5.940 1.00 0.00 H new ATOM 0 HA VAL A 99 10.479 10.961 4.746 1.00 0.00 H new ATOM 0 HB VAL A 99 11.474 8.297 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.254 9.562 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.487 9.637 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.494 11.031 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.719 9.445 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.984 10.868 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.087 9.325 5.221 1.00 0.00 H new ATOM 1594 N ALA A 100 8.166 9.058 5.110 1.00 0.00 N ATOM 1595 CA ALA A 100 6.791 8.611 4.797 1.00 0.00 C ATOM 1596 C ALA A 100 5.970 9.639 4.025 1.00 0.00 C ATOM 1597 O ALA A 100 5.378 9.326 3.005 1.00 0.00 O ATOM 1598 CB ALA A 100 6.067 8.202 6.060 1.00 0.00 C ATOM 0 H ALA A 100 8.400 8.993 6.101 1.00 0.00 H new ATOM 0 HA ALA A 100 6.898 7.750 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.057 7.876 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.605 7.384 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.017 9.051 6.742 1.00 0.00 H new ATOM 1604 N GLU A 101 5.973 10.850 4.477 1.00 0.00 N ATOM 1605 CA GLU A 101 5.192 11.863 3.830 1.00 0.00 C ATOM 1606 C GLU A 101 5.931 12.506 2.651 1.00 0.00 C ATOM 1607 O GLU A 101 5.324 12.633 1.588 1.00 0.00 O ATOM 1608 CB GLU A 101 4.624 12.892 4.814 1.00 0.00 C ATOM 1609 CG GLU A 101 3.733 12.277 5.889 1.00 0.00 C ATOM 1610 CD GLU A 101 3.116 13.309 6.796 1.00 0.00 C ATOM 1611 OE1 GLU A 101 3.858 14.068 7.428 1.00 0.00 O ATOM 1612 OE2 GLU A 101 1.881 13.358 6.920 1.00 0.00 O ATOM 0 H GLU A 101 6.504 11.166 5.289 1.00 0.00 H new ATOM 0 HA GLU A 101 4.327 11.357 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.449 13.418 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.051 13.636 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.941 11.700 5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.320 11.580 6.486 1.00 0.00 H new ATOM 1619 N PRO A 102 7.240 12.939 2.818 1.00 0.00 N ATOM 1620 CA PRO A 102 8.047 13.523 1.742 1.00 0.00 C ATOM 1621 C PRO A 102 7.811 12.920 0.340 1.00 0.00 C ATOM 1622 O PRO A 102 8.268 11.782 0.058 1.00 0.00 O ATOM 1623 CB PRO A 102 9.461 13.276 2.212 1.00 0.00 C ATOM 1624 CG PRO A 102 9.378 13.494 3.674 1.00 0.00 C ATOM 1625 CD PRO A 102 8.025 12.964 4.090 1.00 0.00 C ATOM 1626 OXT PRO A 102 7.179 13.602 -0.494 1.00 0.00 O ATOM 0 HA PRO A 102 7.790 14.572 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.793 12.265 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.166 13.962 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.180 12.971 4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.476 14.552 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.104 11.970 4.530 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.557 13.606 4.836 1.00 0.00 H new