USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.13 USER MOD Single : A 5 SER OG : rot -91:sc= 1.22 USER MOD Single : A 7 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.22!) USER MOD Single : A 8 MET CE :methyl -141:sc= -0.762 (180deg=-3.82!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= -0.971 (180deg=-2.17!) USER MOD Single : A 16 TYR OH : rot 120:sc= 0 USER MOD Single : A 19 SER OG : rot 62:sc= -0.914 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -1.98! (180deg=-2.52!) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.228) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -1.14! C(o=-2.4!,f=-1.1!) USER MOD Single : A 41 THR OG1 : rot 12:sc= 0.606! USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 41:sc= 0.625 USER MOD Single : A 54 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.7) USER MOD Single : A 55 SER OG : rot 70:sc= 0.657 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -5.79! C(o=-9!,f=-5.8!) USER MOD Single : A 68 THR OG1 : rot 82:sc= -2.97! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 115:sc= 0.345 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00171 X(o=-0.0017,f=0.00095) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.378 -12.356 -0.649 1.00 0.00 N ATOM 2 CA ARG A 1 5.329 -11.315 -0.296 1.00 0.00 C ATOM 3 C ARG A 1 5.891 -10.660 -1.561 1.00 0.00 C ATOM 4 O ARG A 1 5.599 -9.500 -1.845 1.00 0.00 O ATOM 5 CB ARG A 1 6.484 -11.882 0.533 1.00 0.00 C ATOM 6 CG ARG A 1 6.145 -11.869 2.024 1.00 0.00 C ATOM 7 CD ARG A 1 6.725 -10.629 2.709 1.00 0.00 C ATOM 8 NE ARG A 1 6.206 -10.525 4.091 1.00 0.00 N ATOM 9 CZ ARG A 1 6.583 -11.324 5.097 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.483 -12.294 4.881 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.059 -11.157 6.319 1.00 0.00 N ATOM 0 H1 ARG A 1 4.004 -12.793 0.218 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.595 -11.941 -1.193 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.854 -13.080 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 1 4.801 -10.570 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 1 6.699 -12.902 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.386 -11.296 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.063 -11.888 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.539 -12.768 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.813 -10.687 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.461 -9.735 2.144 1.00 0.00 H new ATOM 0 HE ARG A 1 5.518 -9.799 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.880 -12.423 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.770 -12.903 5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.372 -10.421 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.347 -11.766 7.085 1.00 0.00 H new ATOM 25 N SER A 2 6.688 -11.433 -2.284 1.00 0.00 N ATOM 26 CA SER A 2 7.293 -10.942 -3.511 1.00 0.00 C ATOM 27 C SER A 2 6.414 -11.305 -4.710 1.00 0.00 C ATOM 28 O SER A 2 6.477 -12.425 -5.214 1.00 0.00 O ATOM 29 CB SER A 2 8.702 -11.509 -3.695 1.00 0.00 C ATOM 30 OG SER A 2 8.683 -12.911 -3.952 1.00 0.00 O ATOM 0 H SER A 2 6.929 -12.395 -2.044 1.00 0.00 H new ATOM 0 HA SER A 2 7.373 -9.857 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.195 -10.996 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.292 -11.312 -2.800 1.00 0.00 H new ATOM 0 HG SER A 2 7.940 -13.123 -4.555 1.00 0.00 H new ATOM 36 N ALA A 3 5.615 -10.336 -5.131 1.00 0.00 N ATOM 37 CA ALA A 3 4.724 -10.540 -6.261 1.00 0.00 C ATOM 38 C ALA A 3 3.652 -9.447 -6.264 1.00 0.00 C ATOM 39 O ALA A 3 3.385 -8.837 -7.297 1.00 0.00 O ATOM 40 CB ALA A 3 4.124 -11.945 -6.192 1.00 0.00 C ATOM 0 H ALA A 3 5.566 -9.408 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 3 5.273 -10.466 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.456 -12.097 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.924 -12.684 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.564 -12.056 -5.264 1.00 0.00 H new ATOM 46 N LEU A 4 3.067 -9.235 -5.094 1.00 0.00 N ATOM 47 CA LEU A 4 2.029 -8.228 -4.948 1.00 0.00 C ATOM 48 C LEU A 4 2.345 -7.350 -3.735 1.00 0.00 C ATOM 49 O LEU A 4 2.457 -6.132 -3.858 1.00 0.00 O ATOM 50 CB LEU A 4 0.649 -8.884 -4.890 1.00 0.00 C ATOM 51 CG LEU A 4 -0.079 -9.034 -6.227 1.00 0.00 C ATOM 52 CD1 LEU A 4 -0.470 -7.668 -6.795 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.757 -9.847 -7.218 1.00 0.00 C ATOM 0 H LEU A 4 3.292 -9.743 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 4 2.007 -7.574 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.757 -9.873 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.019 -8.300 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.002 -9.587 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.986 -7.803 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.130 -7.158 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.427 -7.069 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.217 -9.939 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.707 -9.342 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.943 -10.840 -6.808 1.00 0.00 H new ATOM 65 N SER A 5 2.478 -8.004 -2.591 1.00 0.00 N ATOM 66 CA SER A 5 2.778 -7.298 -1.355 1.00 0.00 C ATOM 67 C SER A 5 3.622 -6.058 -1.654 1.00 0.00 C ATOM 68 O SER A 5 3.264 -4.949 -1.258 1.00 0.00 O ATOM 69 CB SER A 5 3.505 -8.209 -0.364 1.00 0.00 C ATOM 70 OG SER A 5 2.870 -8.222 0.912 1.00 0.00 O ATOM 0 H SER A 5 2.384 -9.015 -2.493 1.00 0.00 H new ATOM 0 HA SER A 5 1.837 -6.988 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.540 -9.223 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.536 -7.874 -0.253 1.00 0.00 H new ATOM 0 HG SER A 5 3.257 -7.521 1.477 1.00 0.00 H new ATOM 76 N CYS A 6 4.726 -6.286 -2.349 1.00 0.00 N ATOM 77 CA CYS A 6 5.624 -5.200 -2.704 1.00 0.00 C ATOM 78 C CYS A 6 4.825 -4.149 -3.478 1.00 0.00 C ATOM 79 O CYS A 6 4.650 -3.026 -3.006 1.00 0.00 O ATOM 80 CB CYS A 6 6.829 -5.701 -3.503 1.00 0.00 C ATOM 81 SG CYS A 6 8.139 -4.453 -3.781 1.00 0.00 S ATOM 0 H CYS A 6 5.019 -7.207 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 6 6.032 -4.751 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.264 -6.554 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.481 -6.063 -4.470 1.00 0.00 H new ATOM 86 N GLN A 7 4.359 -4.551 -4.651 1.00 0.00 N ATOM 87 CA GLN A 7 3.582 -3.658 -5.494 1.00 0.00 C ATOM 88 C GLN A 7 2.623 -2.825 -4.641 1.00 0.00 C ATOM 89 O GLN A 7 2.570 -1.604 -4.774 1.00 0.00 O ATOM 90 CB GLN A 7 2.824 -4.440 -6.569 1.00 0.00 C ATOM 91 CG GLN A 7 2.503 -3.549 -7.770 1.00 0.00 C ATOM 92 CD GLN A 7 1.999 -4.381 -8.951 1.00 0.00 C ATOM 93 OE1 GLN A 7 0.817 -4.434 -9.248 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.961 -5.027 -9.606 1.00 0.00 N ATOM 0 H GLN A 7 4.505 -5.483 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 7 4.268 -2.980 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.421 -5.292 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.900 -4.839 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.749 -2.814 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.394 -2.995 -8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.931 -4.939 -9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.728 -5.610 -10.410 1.00 0.00 H new ATOM 103 N MET A 8 1.887 -3.519 -3.785 1.00 0.00 N ATOM 104 CA MET A 8 0.933 -2.859 -2.911 1.00 0.00 C ATOM 105 C MET A 8 1.571 -1.657 -2.211 1.00 0.00 C ATOM 106 O MET A 8 0.921 -0.631 -2.018 1.00 0.00 O ATOM 107 CB MET A 8 0.428 -3.853 -1.864 1.00 0.00 C ATOM 108 CG MET A 8 -0.133 -5.113 -2.528 1.00 0.00 C ATOM 109 SD MET A 8 -1.466 -5.779 -1.545 1.00 0.00 S ATOM 110 CE MET A 8 -2.284 -6.784 -2.773 1.00 0.00 C ATOM 0 H MET A 8 1.933 -4.532 -3.678 1.00 0.00 H new ATOM 0 HA MET A 8 0.100 -2.502 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.242 -4.124 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.345 -3.384 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.492 -4.877 -3.530 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.655 -5.858 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.364 -6.709 -2.644 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.013 -6.434 -3.769 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.976 -7.823 -2.657 1.00 0.00 H new ATOM 120 N CYS A 9 2.833 -1.827 -1.848 1.00 0.00 N ATOM 121 CA CYS A 9 3.566 -0.769 -1.173 1.00 0.00 C ATOM 122 C CYS A 9 3.662 0.429 -2.119 1.00 0.00 C ATOM 123 O CYS A 9 3.699 1.575 -1.674 1.00 0.00 O ATOM 124 CB CYS A 9 4.945 -1.243 -0.710 1.00 0.00 C ATOM 125 SG CYS A 9 6.283 -1.029 -1.941 1.00 0.00 S ATOM 0 H CYS A 9 3.367 -2.681 -2.008 1.00 0.00 H new ATOM 0 HA CYS A 9 3.033 -0.474 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.214 -0.701 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.881 -2.298 -0.444 1.00 0.00 H new ATOM 130 N GLU A 10 3.700 0.123 -3.408 1.00 0.00 N ATOM 131 CA GLU A 10 3.791 1.160 -4.421 1.00 0.00 C ATOM 132 C GLU A 10 2.415 1.783 -4.668 1.00 0.00 C ATOM 133 O GLU A 10 2.305 2.803 -5.347 1.00 0.00 O ATOM 134 CB GLU A 10 4.384 0.609 -5.719 1.00 0.00 C ATOM 135 CG GLU A 10 5.619 1.409 -6.141 1.00 0.00 C ATOM 136 CD GLU A 10 6.657 0.504 -6.808 1.00 0.00 C ATOM 137 OE1 GLU A 10 7.008 -0.517 -6.177 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.075 0.854 -7.933 1.00 0.00 O ATOM 0 H GLU A 10 3.669 -0.829 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 10 4.461 1.939 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.654 -0.438 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.635 0.646 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.326 2.201 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.059 1.892 -5.269 1.00 0.00 H new ATOM 146 N LEU A 11 1.402 1.143 -4.104 1.00 0.00 N ATOM 147 CA LEU A 11 0.038 1.622 -4.254 1.00 0.00 C ATOM 148 C LEU A 11 -0.284 2.596 -3.119 1.00 0.00 C ATOM 149 O LEU A 11 -0.901 3.635 -3.345 1.00 0.00 O ATOM 150 CB LEU A 11 -0.935 0.445 -4.350 1.00 0.00 C ATOM 151 CG LEU A 11 -2.371 0.793 -4.749 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.474 1.051 -6.253 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.346 -0.290 -4.284 1.00 0.00 C ATOM 0 H LEU A 11 1.498 0.297 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.072 2.174 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.541 -0.269 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.959 -0.060 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.652 1.717 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.504 1.296 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.824 1.883 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.167 0.158 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.359 -0.019 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.077 -1.242 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.297 -0.382 -3.199 1.00 0.00 H new ATOM 165 N VAL A 12 0.148 2.224 -1.923 1.00 0.00 N ATOM 166 CA VAL A 12 -0.086 3.052 -0.752 1.00 0.00 C ATOM 167 C VAL A 12 0.727 4.342 -0.874 1.00 0.00 C ATOM 168 O VAL A 12 0.223 5.427 -0.588 1.00 0.00 O ATOM 169 CB VAL A 12 0.231 2.262 0.520 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.514 0.925 0.534 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.738 2.053 0.673 1.00 0.00 C ATOM 0 H VAL A 12 0.659 1.360 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.137 3.335 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.114 2.846 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.272 0.383 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.588 1.107 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.214 0.332 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.936 1.489 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.118 1.500 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.236 3.021 0.730 1.00 0.00 H new ATOM 181 N VAL A 13 1.972 4.181 -1.297 1.00 0.00 N ATOM 182 CA VAL A 13 2.861 5.320 -1.460 1.00 0.00 C ATOM 183 C VAL A 13 2.252 6.297 -2.466 1.00 0.00 C ATOM 184 O VAL A 13 2.014 7.459 -2.143 1.00 0.00 O ATOM 185 CB VAL A 13 4.257 4.840 -1.860 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.831 3.884 -0.813 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.236 4.187 -3.244 1.00 0.00 C ATOM 0 H VAL A 13 2.387 3.279 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 13 2.974 5.855 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 13 4.909 5.712 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.824 3.559 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.900 4.395 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.179 3.016 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.241 3.854 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.562 3.330 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.890 4.910 -3.982 1.00 0.00 H new ATOM 197 N LYS A 14 2.017 5.788 -3.668 1.00 0.00 N ATOM 198 CA LYS A 14 1.440 6.603 -4.724 1.00 0.00 C ATOM 199 C LYS A 14 0.230 7.360 -4.175 1.00 0.00 C ATOM 200 O LYS A 14 -0.098 8.445 -4.655 1.00 0.00 O ATOM 201 CB LYS A 14 1.124 5.743 -5.950 1.00 0.00 C ATOM 202 CG LYS A 14 1.282 6.550 -7.240 1.00 0.00 C ATOM 203 CD LYS A 14 2.013 5.736 -8.311 1.00 0.00 C ATOM 204 CE LYS A 14 1.036 5.218 -9.368 1.00 0.00 C ATOM 205 NZ LYS A 14 0.820 6.237 -10.418 1.00 0.00 N ATOM 0 H LYS A 14 2.215 4.823 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 14 2.156 7.351 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.788 4.879 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.106 5.361 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.301 6.846 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.835 7.466 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.774 6.355 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.529 4.897 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.426 4.304 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.085 4.963 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.154 5.869 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.427 7.099 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.726 6.460 -10.877 1.00 0.00 H new ATOM 219 N LYS A 15 -0.402 6.759 -3.178 1.00 0.00 N ATOM 220 CA LYS A 15 -1.570 7.364 -2.559 1.00 0.00 C ATOM 221 C LYS A 15 -1.117 8.447 -1.577 1.00 0.00 C ATOM 222 O LYS A 15 -1.715 9.521 -1.514 1.00 0.00 O ATOM 223 CB LYS A 15 -2.455 6.290 -1.924 1.00 0.00 C ATOM 224 CG LYS A 15 -3.233 5.518 -2.992 1.00 0.00 C ATOM 225 CD LYS A 15 -4.065 6.467 -3.857 1.00 0.00 C ATOM 226 CE LYS A 15 -3.333 6.811 -5.154 1.00 0.00 C ATOM 227 NZ LYS A 15 -3.256 8.278 -5.332 1.00 0.00 N ATOM 0 H LYS A 15 -0.128 5.859 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.190 7.853 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.839 5.600 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.152 6.754 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.539 4.961 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.887 4.788 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.025 6.006 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.276 7.381 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.329 6.388 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.852 6.363 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.597 8.531 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.847 8.746 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.270 8.590 -5.224 1.00 0.00 H new ATOM 241 N TYR A 16 -0.066 8.129 -0.837 1.00 0.00 N ATOM 242 CA TYR A 16 0.473 9.062 0.138 1.00 0.00 C ATOM 243 C TYR A 16 1.332 10.131 -0.542 1.00 0.00 C ATOM 244 O TYR A 16 0.967 11.306 -0.560 1.00 0.00 O ATOM 245 CB TYR A 16 1.357 8.233 1.071 1.00 0.00 C ATOM 246 CG TYR A 16 1.909 9.017 2.264 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.592 10.350 2.420 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.724 8.389 3.184 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.111 11.087 3.543 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.244 9.125 4.307 1.00 0.00 C ATOM 251 CZ TYR A 16 2.911 10.438 4.431 1.00 0.00 C ATOM 252 OH TYR A 16 3.402 11.134 5.491 1.00 0.00 O ATOM 0 H TYR A 16 0.427 7.238 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.332 9.571 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.782 7.385 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.191 7.827 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.954 10.841 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.972 7.345 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.870 12.131 3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.883 8.646 5.034 1.00 0.00 H new ATOM 0 HH TYR A 16 3.095 10.720 6.325 1.00 0.00 H new ATOM 262 N GLU A 17 2.455 9.685 -1.085 1.00 0.00 N ATOM 263 CA GLU A 17 3.367 10.588 -1.765 1.00 0.00 C ATOM 264 C GLU A 17 2.589 11.558 -2.656 1.00 0.00 C ATOM 265 O GLU A 17 2.932 12.736 -2.745 1.00 0.00 O ATOM 266 CB GLU A 17 4.406 9.811 -2.576 1.00 0.00 C ATOM 267 CG GLU A 17 5.363 9.050 -1.657 1.00 0.00 C ATOM 268 CD GLU A 17 6.418 9.988 -1.068 1.00 0.00 C ATOM 269 OE1 GLU A 17 6.081 10.666 -0.073 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.537 10.004 -1.623 1.00 0.00 O ATOM 0 H GLU A 17 2.754 8.710 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 17 3.902 11.167 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.903 9.111 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.971 10.499 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.801 8.577 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.852 8.252 -2.216 1.00 0.00 H new ATOM 278 N GLY A 18 1.556 11.027 -3.294 1.00 0.00 N ATOM 279 CA GLY A 18 0.727 11.831 -4.174 1.00 0.00 C ATOM 280 C GLY A 18 -0.705 11.926 -3.643 1.00 0.00 C ATOM 281 O GLY A 18 -1.662 11.721 -4.388 1.00 0.00 O ATOM 0 H GLY A 18 1.275 10.049 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.151 12.831 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.720 11.394 -5.173 1.00 0.00 H new ATOM 285 N SER A 19 -0.806 12.237 -2.359 1.00 0.00 N ATOM 286 CA SER A 19 -2.105 12.362 -1.720 1.00 0.00 C ATOM 287 C SER A 19 -2.530 13.831 -1.681 1.00 0.00 C ATOM 288 O SER A 19 -3.632 14.174 -2.107 1.00 0.00 O ATOM 289 CB SER A 19 -2.081 11.778 -0.307 1.00 0.00 C ATOM 290 OG SER A 19 -3.235 10.986 -0.037 1.00 0.00 O ATOM 0 H SER A 19 -0.010 12.406 -1.744 1.00 0.00 H new ATOM 0 HA SER A 19 -2.830 11.797 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.186 11.169 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.019 12.588 0.419 1.00 0.00 H new ATOM 0 HG SER A 19 -3.263 10.227 -0.656 1.00 0.00 H new ATOM 296 N ALA A 20 -1.634 14.660 -1.165 1.00 0.00 N ATOM 297 CA ALA A 20 -1.902 16.084 -1.064 1.00 0.00 C ATOM 298 C ALA A 20 -2.844 16.339 0.115 1.00 0.00 C ATOM 299 O ALA A 20 -3.223 17.480 0.375 1.00 0.00 O ATOM 300 CB ALA A 20 -2.477 16.590 -2.389 1.00 0.00 C ATOM 0 H ALA A 20 -0.721 14.372 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.981 16.636 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.678 17.659 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.759 16.412 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.404 16.061 -2.609 1.00 0.00 H new ATOM 306 N ASP A 21 -3.192 15.258 0.797 1.00 0.00 N ATOM 307 CA ASP A 21 -4.082 15.351 1.942 1.00 0.00 C ATOM 308 C ASP A 21 -3.302 15.017 3.215 1.00 0.00 C ATOM 309 O ASP A 21 -3.765 15.294 4.322 1.00 0.00 O ATOM 310 CB ASP A 21 -5.239 14.357 1.823 1.00 0.00 C ATOM 311 CG ASP A 21 -6.574 14.849 2.386 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.997 15.948 1.966 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.142 14.115 3.224 1.00 0.00 O ATOM 0 H ASP A 21 -2.874 14.314 0.579 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.480 16.365 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.376 14.106 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.962 13.437 2.337 1.00 0.00 H new ATOM 319 N LYS A 22 -2.133 14.427 3.018 1.00 0.00 N ATOM 320 CA LYS A 22 -1.285 14.052 4.137 1.00 0.00 C ATOM 321 C LYS A 22 -2.123 13.313 5.182 1.00 0.00 C ATOM 322 O LYS A 22 -1.991 13.561 6.378 1.00 0.00 O ATOM 323 CB LYS A 22 -0.555 15.278 4.690 1.00 0.00 C ATOM 324 CG LYS A 22 0.105 16.077 3.565 1.00 0.00 C ATOM 325 CD LYS A 22 1.250 15.286 2.929 1.00 0.00 C ATOM 326 CE LYS A 22 2.605 15.897 3.291 1.00 0.00 C ATOM 327 NZ LYS A 22 3.641 14.843 3.382 1.00 0.00 N ATOM 0 H LYS A 22 -1.752 14.199 2.100 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.505 13.365 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.259 15.913 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.201 14.962 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.637 16.324 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.484 17.020 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.212 14.250 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.130 15.273 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.891 16.633 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.530 16.425 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.555 15.275 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.374 14.156 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.723 14.357 2.466 1.00 0.00 H new ATOM 341 N ASP A 23 -2.968 12.417 4.690 1.00 0.00 N ATOM 342 CA ASP A 23 -3.827 11.639 5.566 1.00 0.00 C ATOM 343 C ASP A 23 -3.607 10.149 5.298 1.00 0.00 C ATOM 344 O ASP A 23 -3.895 9.662 4.205 1.00 0.00 O ATOM 345 CB ASP A 23 -5.302 11.953 5.310 1.00 0.00 C ATOM 346 CG ASP A 23 -6.190 11.952 6.557 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.744 11.372 7.569 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.293 12.532 6.468 1.00 0.00 O ATOM 0 H ASP A 23 -3.075 12.213 3.696 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.577 11.893 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.372 12.931 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.695 11.224 4.602 1.00 0.00 H new ATOM 354 N ALA A 24 -3.098 9.467 6.312 1.00 0.00 N ATOM 355 CA ALA A 24 -2.836 8.042 6.199 1.00 0.00 C ATOM 356 C ALA A 24 -4.164 7.281 6.206 1.00 0.00 C ATOM 357 O ALA A 24 -4.189 6.068 6.004 1.00 0.00 O ATOM 358 CB ALA A 24 -1.906 7.602 7.332 1.00 0.00 C ATOM 0 H ALA A 24 -2.860 9.874 7.216 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.333 7.818 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.710 6.533 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.966 8.150 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.379 7.809 8.292 1.00 0.00 H new ATOM 364 N ASN A 25 -5.234 8.025 6.441 1.00 0.00 N ATOM 365 CA ASN A 25 -6.562 7.437 6.476 1.00 0.00 C ATOM 366 C ASN A 25 -7.143 7.415 5.061 1.00 0.00 C ATOM 367 O ASN A 25 -7.566 6.367 4.576 1.00 0.00 O ATOM 368 CB ASN A 25 -7.504 8.255 7.362 1.00 0.00 C ATOM 369 CG ASN A 25 -8.382 7.342 8.219 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.510 6.153 7.975 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.978 7.961 9.233 1.00 0.00 N ATOM 0 H ASN A 25 -5.209 9.031 6.609 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.473 6.428 6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.922 8.915 8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.133 8.891 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.586 7.438 9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.828 8.959 9.381 1.00 0.00 H new ATOM 378 N VAL A 26 -7.147 8.585 4.439 1.00 0.00 N ATOM 379 CA VAL A 26 -7.669 8.713 3.089 1.00 0.00 C ATOM 380 C VAL A 26 -6.675 8.100 2.101 1.00 0.00 C ATOM 381 O VAL A 26 -6.990 7.925 0.925 1.00 0.00 O ATOM 382 CB VAL A 26 -7.983 10.180 2.787 1.00 0.00 C ATOM 383 CG1 VAL A 26 -9.048 10.299 1.695 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.413 10.921 4.055 1.00 0.00 C ATOM 0 H VAL A 26 -6.797 9.453 4.845 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.606 8.165 2.989 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.071 10.649 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.253 11.352 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.688 9.824 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.963 9.806 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.630 11.961 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.306 10.450 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.610 10.880 4.790 1.00 0.00 H new ATOM 394 N ILE A 27 -5.494 7.790 2.616 1.00 0.00 N ATOM 395 CA ILE A 27 -4.452 7.198 1.793 1.00 0.00 C ATOM 396 C ILE A 27 -4.666 5.686 1.714 1.00 0.00 C ATOM 397 O ILE A 27 -5.062 5.165 0.672 1.00 0.00 O ATOM 398 CB ILE A 27 -3.069 7.597 2.313 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.712 9.023 1.886 1.00 0.00 C ATOM 400 CG2 ILE A 27 -2.007 6.585 1.877 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.502 9.541 2.665 1.00 0.00 C ATOM 0 H ILE A 27 -5.236 7.937 3.592 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.508 7.581 0.774 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.097 7.585 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.497 9.044 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.565 9.681 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.033 6.892 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.258 5.601 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.972 6.541 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.269 10.556 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.729 9.542 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.644 8.895 2.477 1.00 0.00 H new ATOM 413 N LYS A 28 -4.395 5.023 2.829 1.00 0.00 N ATOM 414 CA LYS A 28 -4.553 3.580 2.898 1.00 0.00 C ATOM 415 C LYS A 28 -5.887 3.186 2.260 1.00 0.00 C ATOM 416 O LYS A 28 -5.985 2.147 1.611 1.00 0.00 O ATOM 417 CB LYS A 28 -4.394 3.093 4.340 1.00 0.00 C ATOM 418 CG LYS A 28 -5.755 2.932 5.018 1.00 0.00 C ATOM 419 CD LYS A 28 -5.606 2.306 6.407 1.00 0.00 C ATOM 420 CE LYS A 28 -4.918 3.273 7.372 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.903 3.859 8.309 1.00 0.00 N ATOM 0 H LYS A 28 -4.067 5.458 3.691 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.768 3.083 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.864 2.140 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.786 3.802 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.240 3.905 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.401 2.307 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.588 2.036 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.027 1.385 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.143 2.748 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.424 4.066 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.419 4.513 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.628 4.377 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.355 3.100 8.857 1.00 0.00 H new ATOM 435 N LYS A 29 -6.880 4.038 2.468 1.00 0.00 N ATOM 436 CA LYS A 29 -8.204 3.792 1.922 1.00 0.00 C ATOM 437 C LYS A 29 -8.149 3.902 0.396 1.00 0.00 C ATOM 438 O LYS A 29 -8.772 3.110 -0.310 1.00 0.00 O ATOM 439 CB LYS A 29 -9.232 4.722 2.568 1.00 0.00 C ATOM 440 CG LYS A 29 -9.875 4.063 3.791 1.00 0.00 C ATOM 441 CD LYS A 29 -10.275 5.110 4.832 1.00 0.00 C ATOM 442 CE LYS A 29 -11.041 6.264 4.182 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.404 5.832 3.801 1.00 0.00 N ATOM 0 H LYS A 29 -6.794 4.900 3.007 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.532 2.780 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.750 5.654 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.003 4.979 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.754 3.497 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.177 3.352 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.893 4.646 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.384 5.494 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.100 7.105 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.504 6.614 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.910 6.627 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.342 5.044 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.919 5.520 4.649 1.00 0.00 H new ATOM 457 N ASP A 30 -7.399 4.891 -0.067 1.00 0.00 N ATOM 458 CA ASP A 30 -7.255 5.114 -1.496 1.00 0.00 C ATOM 459 C ASP A 30 -6.598 3.890 -2.135 1.00 0.00 C ATOM 460 O ASP A 30 -7.061 3.397 -3.163 1.00 0.00 O ATOM 461 CB ASP A 30 -6.368 6.329 -1.776 1.00 0.00 C ATOM 462 CG ASP A 30 -6.784 7.168 -2.986 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.508 6.613 -3.840 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.369 8.346 -3.030 1.00 0.00 O ATOM 0 H ASP A 30 -6.885 5.547 0.521 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.247 5.288 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.364 6.968 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.344 5.986 -1.925 1.00 0.00 H new ATOM 470 N PHE A 31 -5.527 3.434 -1.502 1.00 0.00 N ATOM 471 CA PHE A 31 -4.802 2.276 -1.996 1.00 0.00 C ATOM 472 C PHE A 31 -5.764 1.160 -2.408 1.00 0.00 C ATOM 473 O PHE A 31 -5.670 0.630 -3.513 1.00 0.00 O ATOM 474 CB PHE A 31 -3.920 1.778 -0.850 1.00 0.00 C ATOM 475 CG PHE A 31 -3.516 0.307 -0.969 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.388 -0.671 -0.606 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.284 -0.024 -1.442 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.013 -2.036 -0.717 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.907 -1.388 -1.553 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.780 -2.366 -1.189 1.00 0.00 C ATOM 0 H PHE A 31 -5.144 3.846 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.214 2.551 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.019 2.389 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.449 1.924 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.367 -0.409 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.592 0.752 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.706 -2.812 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.928 -1.649 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.495 -3.404 -1.275 1.00 0.00 H new ATOM 490 N ASP A 32 -6.667 0.835 -1.494 1.00 0.00 N ATOM 491 CA ASP A 32 -7.646 -0.209 -1.748 1.00 0.00 C ATOM 492 C ASP A 32 -8.592 0.245 -2.861 1.00 0.00 C ATOM 493 O ASP A 32 -9.114 -0.579 -3.611 1.00 0.00 O ATOM 494 CB ASP A 32 -8.486 -0.491 -0.500 1.00 0.00 C ATOM 495 CG ASP A 32 -9.508 -1.619 -0.651 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.202 -2.566 -1.408 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.574 -1.509 -0.006 1.00 0.00 O ATOM 0 H ASP A 32 -6.741 1.276 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.109 -1.113 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.815 -0.736 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.013 0.422 -0.221 1.00 0.00 H new ATOM 503 N ALA A 33 -8.783 1.553 -2.936 1.00 0.00 N ATOM 504 CA ALA A 33 -9.656 2.126 -3.946 1.00 0.00 C ATOM 505 C ALA A 33 -9.210 1.649 -5.329 1.00 0.00 C ATOM 506 O ALA A 33 -9.823 0.752 -5.908 1.00 0.00 O ATOM 507 CB ALA A 33 -9.646 3.651 -3.825 1.00 0.00 C ATOM 0 H ALA A 33 -8.348 2.233 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.684 1.794 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.301 4.080 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.999 3.940 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.631 4.021 -3.971 1.00 0.00 H new ATOM 513 N GLU A 34 -8.148 2.269 -5.821 1.00 0.00 N ATOM 514 CA GLU A 34 -7.614 1.918 -7.126 1.00 0.00 C ATOM 515 C GLU A 34 -7.421 0.404 -7.231 1.00 0.00 C ATOM 516 O GLU A 34 -7.702 -0.190 -8.270 1.00 0.00 O ATOM 517 CB GLU A 34 -6.303 2.658 -7.399 1.00 0.00 C ATOM 518 CG GLU A 34 -5.327 2.495 -6.231 1.00 0.00 C ATOM 519 CD GLU A 34 -4.445 3.735 -6.076 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.299 4.457 -7.086 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.936 3.933 -4.952 1.00 0.00 O ATOM 0 H GLU A 34 -7.643 3.013 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.332 2.227 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.849 2.275 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.506 3.716 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.883 2.322 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.701 1.618 -6.395 1.00 0.00 H new ATOM 529 N CYS A 35 -6.942 -0.177 -6.140 1.00 0.00 N ATOM 530 CA CYS A 35 -6.708 -1.610 -6.096 1.00 0.00 C ATOM 531 C CYS A 35 -7.970 -2.318 -6.593 1.00 0.00 C ATOM 532 O CYS A 35 -7.914 -3.110 -7.533 1.00 0.00 O ATOM 533 CB CYS A 35 -6.306 -2.075 -4.695 1.00 0.00 C ATOM 534 SG CYS A 35 -6.739 -3.811 -4.310 1.00 0.00 S ATOM 0 H CYS A 35 -6.710 0.319 -5.280 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.870 -1.865 -6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.229 -1.950 -4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.782 -1.425 -3.961 1.00 0.00 H new ATOM 539 N LYS A 36 -9.081 -2.008 -5.940 1.00 0.00 N ATOM 540 CA LYS A 36 -10.354 -2.603 -6.303 1.00 0.00 C ATOM 541 C LYS A 36 -10.614 -2.374 -7.793 1.00 0.00 C ATOM 542 O LYS A 36 -11.478 -3.021 -8.384 1.00 0.00 O ATOM 543 CB LYS A 36 -11.469 -2.080 -5.397 1.00 0.00 C ATOM 544 CG LYS A 36 -11.396 -2.721 -4.010 1.00 0.00 C ATOM 545 CD LYS A 36 -12.111 -4.073 -3.992 1.00 0.00 C ATOM 546 CE LYS A 36 -12.289 -4.581 -2.560 1.00 0.00 C ATOM 547 NZ LYS A 36 -10.998 -4.551 -1.835 1.00 0.00 N ATOM 0 H LYS A 36 -9.125 -1.351 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.328 -3.681 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.390 -0.997 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.438 -2.291 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.353 -2.853 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.849 -2.056 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.085 -3.979 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.539 -4.798 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.021 -3.965 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.681 -5.598 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.989 -5.297 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.219 -4.710 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.878 -3.624 -1.378 1.00 0.00 H new ATOM 561 N LYS A 37 -9.851 -1.449 -8.359 1.00 0.00 N ATOM 562 CA LYS A 37 -9.988 -1.125 -9.768 1.00 0.00 C ATOM 563 C LYS A 37 -8.942 -1.904 -10.570 1.00 0.00 C ATOM 564 O LYS A 37 -9.280 -2.827 -11.307 1.00 0.00 O ATOM 565 CB LYS A 37 -9.923 0.388 -9.979 1.00 0.00 C ATOM 566 CG LYS A 37 -10.780 1.123 -8.946 1.00 0.00 C ATOM 567 CD LYS A 37 -12.211 1.307 -9.453 1.00 0.00 C ATOM 568 CE LYS A 37 -13.127 0.201 -8.926 1.00 0.00 C ATOM 569 NZ LYS A 37 -13.666 -0.603 -10.045 1.00 0.00 N ATOM 0 H LYS A 37 -9.136 -0.914 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.967 -1.432 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.889 0.725 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.267 0.634 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.791 0.562 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.339 2.096 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.590 2.279 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.218 1.301 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.574 -0.442 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.947 0.640 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.978 -1.529 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.474 -0.106 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.926 -0.739 -10.763 1.00 0.00 H new ATOM 583 N LEU A 38 -7.691 -1.501 -10.397 1.00 0.00 N ATOM 584 CA LEU A 38 -6.593 -2.148 -11.095 1.00 0.00 C ATOM 585 C LEU A 38 -6.412 -3.565 -10.546 1.00 0.00 C ATOM 586 O LEU A 38 -6.332 -4.525 -11.312 1.00 0.00 O ATOM 587 CB LEU A 38 -5.328 -1.292 -11.016 1.00 0.00 C ATOM 588 CG LEU A 38 -4.324 -1.678 -9.928 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.889 -1.425 -10.393 1.00 0.00 C ATOM 590 CD2 LEU A 38 -4.635 -0.959 -8.614 1.00 0.00 C ATOM 0 H LEU A 38 -7.414 -0.735 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.819 -2.242 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.823 -1.336 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.624 -0.255 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.419 -2.747 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.195 -1.708 -9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.685 -2.019 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.763 -0.368 -10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.906 -1.251 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.585 0.119 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.636 -1.231 -8.278 1.00 0.00 H new ATOM 602 N PHE A 39 -6.352 -3.652 -9.226 1.00 0.00 N ATOM 603 CA PHE A 39 -6.182 -4.936 -8.567 1.00 0.00 C ATOM 604 C PHE A 39 -7.526 -5.644 -8.390 1.00 0.00 C ATOM 605 O PHE A 39 -7.725 -6.374 -7.421 1.00 0.00 O ATOM 606 CB PHE A 39 -5.581 -4.654 -7.188 1.00 0.00 C ATOM 607 CG PHE A 39 -4.065 -4.449 -7.199 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.261 -5.364 -7.803 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.522 -3.353 -6.605 1.00 0.00 C ATOM 610 CE1 PHE A 39 -1.853 -5.174 -7.814 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.115 -3.163 -6.615 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.310 -4.078 -7.220 1.00 0.00 C ATOM 0 H PHE A 39 -6.418 -2.854 -8.594 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.540 -5.580 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.054 -3.765 -6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.820 -5.483 -6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.692 -6.235 -8.274 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.161 -2.627 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.214 -5.900 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.684 -2.293 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.240 -3.934 -7.228 1.00 0.00 H new ATOM 622 N HIS A 40 -8.416 -5.403 -9.342 1.00 0.00 N ATOM 623 CA HIS A 40 -9.736 -6.009 -9.304 1.00 0.00 C ATOM 624 C HIS A 40 -9.700 -7.364 -10.015 1.00 0.00 C ATOM 625 O HIS A 40 -10.029 -8.389 -9.422 1.00 0.00 O ATOM 626 CB HIS A 40 -10.786 -5.061 -9.887 1.00 0.00 C ATOM 627 CG HIS A 40 -11.253 -5.440 -11.272 1.00 0.00 C ATOM 628 ND1 HIS A 40 -10.776 -5.089 -12.500 1.00 0.00 N flip ATOM 629 CD2 HIS A 40 -12.335 -6.273 -11.497 1.00 0.00 C flip ATOM 630 CE1 HIS A 40 -11.524 -5.677 -13.425 1.00 0.00 C flip ATOM 631 NE2 HIS A 40 -12.491 -6.412 -12.805 1.00 0.00 N flip ATOM 0 H HIS A 40 -8.248 -4.796 -10.144 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.028 -6.189 -8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.647 -5.034 -9.219 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.374 -4.052 -9.917 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -9.979 -4.478 -12.678 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.948 -6.732 -10.735 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.389 -5.588 -14.493 1.00 0.00 H new ATOM 640 N THR A 41 -9.297 -7.323 -11.276 1.00 0.00 N ATOM 641 CA THR A 41 -9.214 -8.534 -12.075 1.00 0.00 C ATOM 642 C THR A 41 -8.222 -9.518 -11.449 1.00 0.00 C ATOM 643 O THR A 41 -8.190 -10.692 -11.818 1.00 0.00 O ATOM 644 CB THR A 41 -8.851 -8.133 -13.505 1.00 0.00 C ATOM 645 OG1 THR A 41 -8.319 -9.326 -14.076 1.00 0.00 O ATOM 646 CG2 THR A 41 -7.685 -7.145 -13.558 1.00 0.00 C ATOM 0 H THR A 41 -9.024 -6.470 -11.765 1.00 0.00 H new ATOM 0 HA THR A 41 -10.170 -9.057 -12.102 1.00 0.00 H new ATOM 0 HB THR A 41 -9.722 -7.693 -13.990 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.510 -10.085 -13.486 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.468 -6.893 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.951 -6.239 -13.013 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.804 -7.597 -13.103 1.00 0.00 H new ATOM 654 N ILE A 42 -7.437 -9.003 -10.514 1.00 0.00 N ATOM 655 CA ILE A 42 -6.448 -9.822 -9.834 1.00 0.00 C ATOM 656 C ILE A 42 -7.154 -10.753 -8.847 1.00 0.00 C ATOM 657 O ILE A 42 -8.121 -10.358 -8.199 1.00 0.00 O ATOM 658 CB ILE A 42 -5.376 -8.942 -9.190 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.645 -8.106 -10.244 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.408 -9.779 -8.352 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.789 -8.994 -11.150 1.00 0.00 C ATOM 0 H ILE A 42 -7.466 -8.029 -10.212 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.921 -10.455 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.870 -8.246 -8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.370 -7.558 -10.846 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.014 -7.366 -9.753 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.656 -9.128 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.959 -10.291 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.918 -10.515 -8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.280 -8.376 -11.890 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.049 -9.522 -10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.427 -9.717 -11.658 1.00 0.00 H new ATOM 673 N PRO A 43 -6.629 -12.005 -8.761 1.00 0.00 N ATOM 674 CA PRO A 43 -7.199 -12.996 -7.863 1.00 0.00 C ATOM 675 C PRO A 43 -6.821 -12.700 -6.410 1.00 0.00 C ATOM 676 O PRO A 43 -5.679 -12.911 -6.007 1.00 0.00 O ATOM 677 CB PRO A 43 -6.662 -14.328 -8.357 1.00 0.00 C ATOM 678 CG PRO A 43 -5.452 -13.999 -9.216 1.00 0.00 C ATOM 679 CD PRO A 43 -5.485 -12.508 -9.513 1.00 0.00 C ATOM 0 HA PRO A 43 -8.289 -12.994 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.384 -14.971 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.416 -14.863 -8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.531 -14.265 -8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.473 -14.574 -10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.561 -12.022 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.599 -12.319 -10.580 1.00 0.00 H new ATOM 687 N PHE A 44 -7.803 -12.217 -5.663 1.00 0.00 N ATOM 688 CA PHE A 44 -7.588 -11.891 -4.265 1.00 0.00 C ATOM 689 C PHE A 44 -6.853 -10.557 -4.118 1.00 0.00 C ATOM 690 O PHE A 44 -6.641 -10.079 -3.006 1.00 0.00 O ATOM 691 CB PHE A 44 -6.721 -13.004 -3.674 1.00 0.00 C ATOM 692 CG PHE A 44 -7.012 -14.391 -4.249 1.00 0.00 C ATOM 693 CD1 PHE A 44 -8.286 -14.738 -4.576 1.00 0.00 C ATOM 694 CD2 PHE A 44 -5.997 -15.278 -4.434 1.00 0.00 C ATOM 695 CE1 PHE A 44 -8.557 -16.026 -5.110 1.00 0.00 C ATOM 696 CE2 PHE A 44 -6.268 -16.565 -4.968 1.00 0.00 C ATOM 697 CZ PHE A 44 -7.542 -16.912 -5.295 1.00 0.00 C ATOM 0 H PHE A 44 -8.750 -12.044 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.546 -11.805 -3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.672 -12.763 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.869 -13.031 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.092 -14.034 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.985 -15.003 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.569 -16.302 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.462 -17.269 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.747 -17.891 -5.702 1.00 0.00 H new ATOM 707 N GLY A 45 -6.486 -9.992 -5.260 1.00 0.00 N ATOM 708 CA GLY A 45 -5.779 -8.723 -5.273 1.00 0.00 C ATOM 709 C GLY A 45 -6.448 -7.712 -4.341 1.00 0.00 C ATOM 710 O GLY A 45 -5.782 -6.844 -3.781 1.00 0.00 O ATOM 0 H GLY A 45 -6.665 -10.390 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.744 -8.876 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.755 -8.327 -6.288 1.00 0.00 H new ATOM 714 N THR A 46 -7.758 -7.860 -4.202 1.00 0.00 N ATOM 715 CA THR A 46 -8.525 -6.971 -3.346 1.00 0.00 C ATOM 716 C THR A 46 -8.480 -7.458 -1.896 1.00 0.00 C ATOM 717 O THR A 46 -8.230 -6.674 -0.982 1.00 0.00 O ATOM 718 CB THR A 46 -9.943 -6.877 -3.911 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.520 -8.146 -3.616 1.00 0.00 O ATOM 720 CG2 THR A 46 -9.960 -6.808 -5.440 1.00 0.00 C ATOM 0 H THR A 46 -8.307 -8.582 -4.668 1.00 0.00 H new ATOM 0 HA THR A 46 -8.098 -5.968 -3.333 1.00 0.00 H new ATOM 0 HB THR A 46 -10.439 -5.997 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.442 -8.171 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.990 -6.742 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.408 -5.928 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.494 -7.704 -5.850 1.00 0.00 H new ATOM 728 N ARG A 47 -8.727 -8.749 -1.731 1.00 0.00 N ATOM 729 CA ARG A 47 -8.719 -9.349 -0.407 1.00 0.00 C ATOM 730 C ARG A 47 -7.445 -8.959 0.345 1.00 0.00 C ATOM 731 O ARG A 47 -7.507 -8.507 1.487 1.00 0.00 O ATOM 732 CB ARG A 47 -8.805 -10.874 -0.493 1.00 0.00 C ATOM 733 CG ARG A 47 -10.128 -11.314 -1.123 1.00 0.00 C ATOM 734 CD ARG A 47 -11.243 -11.364 -0.078 1.00 0.00 C ATOM 735 NE ARG A 47 -10.965 -12.432 0.908 1.00 0.00 N ATOM 736 CZ ARG A 47 -10.336 -12.232 2.076 1.00 0.00 C ATOM 737 NH1 ARG A 47 -9.919 -11.003 2.409 1.00 0.00 N ATOM 738 NH2 ARG A 47 -10.127 -13.260 2.909 1.00 0.00 N ATOM 0 H ARG A 47 -8.934 -9.396 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.591 -8.977 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.972 -11.256 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.712 -11.304 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.403 -10.623 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.008 -12.296 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.322 -10.402 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.201 -11.547 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.271 -13.379 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.080 -10.221 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.441 -10.850 3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.446 -14.195 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.649 -13.108 3.797 1.00 0.00 H new ATOM 752 N GLU A 48 -6.318 -9.147 -0.327 1.00 0.00 N ATOM 753 CA GLU A 48 -5.032 -8.821 0.263 1.00 0.00 C ATOM 754 C GLU A 48 -4.927 -7.314 0.507 1.00 0.00 C ATOM 755 O GLU A 48 -4.464 -6.884 1.563 1.00 0.00 O ATOM 756 CB GLU A 48 -3.882 -9.313 -0.619 1.00 0.00 C ATOM 757 CG GLU A 48 -2.734 -9.858 0.231 1.00 0.00 C ATOM 758 CD GLU A 48 -2.378 -8.888 1.359 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.994 -7.746 1.026 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.497 -9.311 2.530 1.00 0.00 O ATOM 0 H GLU A 48 -6.270 -9.521 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.955 -9.333 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.242 -10.091 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.521 -8.495 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.015 -10.823 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.860 -10.027 -0.398 1.00 0.00 H new ATOM 768 N CYS A 49 -5.365 -6.553 -0.485 1.00 0.00 N ATOM 769 CA CYS A 49 -5.327 -5.104 -0.391 1.00 0.00 C ATOM 770 C CYS A 49 -5.939 -4.694 0.950 1.00 0.00 C ATOM 771 O CYS A 49 -5.264 -4.098 1.789 1.00 0.00 O ATOM 772 CB CYS A 49 -6.039 -4.441 -1.571 1.00 0.00 C ATOM 773 SG CYS A 49 -5.015 -4.245 -3.074 1.00 0.00 S ATOM 0 H CYS A 49 -5.748 -6.913 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.293 -4.761 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.920 -5.031 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.392 -3.458 -1.258 1.00 0.00 H new ATOM 778 N ASP A 50 -7.211 -5.029 1.111 1.00 0.00 N ATOM 779 CA ASP A 50 -7.922 -4.703 2.335 1.00 0.00 C ATOM 780 C ASP A 50 -7.151 -5.263 3.532 1.00 0.00 C ATOM 781 O ASP A 50 -7.249 -4.735 4.639 1.00 0.00 O ATOM 782 CB ASP A 50 -9.321 -5.323 2.341 1.00 0.00 C ATOM 783 CG ASP A 50 -10.283 -4.738 3.378 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.856 -3.668 3.080 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.422 -5.374 4.445 1.00 0.00 O ATOM 0 H ASP A 50 -7.767 -5.523 0.413 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.008 -3.618 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.760 -5.202 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.227 -6.394 2.519 1.00 0.00 H new ATOM 791 N HIS A 51 -6.402 -6.323 3.268 1.00 0.00 N ATOM 792 CA HIS A 51 -5.614 -6.960 4.311 1.00 0.00 C ATOM 793 C HIS A 51 -4.201 -6.377 4.315 1.00 0.00 C ATOM 794 O HIS A 51 -3.305 -6.914 4.966 1.00 0.00 O ATOM 795 CB HIS A 51 -5.628 -8.481 4.149 1.00 0.00 C ATOM 796 CG HIS A 51 -5.714 -9.237 5.453 1.00 0.00 C ATOM 797 ND1 HIS A 51 -4.597 -9.691 6.133 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.795 -9.613 6.196 1.00 0.00 C ATOM 799 CE1 HIS A 51 -5.001 -10.311 7.232 1.00 0.00 C ATOM 800 NE2 HIS A 51 -6.363 -10.262 7.269 1.00 0.00 N ATOM 0 H HIS A 51 -6.324 -6.757 2.348 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.057 -6.752 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.474 -8.761 3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.725 -8.788 3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.828 -9.415 5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.363 -10.774 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.952 -10.659 8.001 1.00 0.00 H new ATOM 809 N TYR A 52 -4.042 -5.286 3.580 1.00 0.00 N ATOM 810 CA TYR A 52 -2.752 -4.624 3.489 1.00 0.00 C ATOM 811 C TYR A 52 -2.794 -3.247 4.154 1.00 0.00 C ATOM 812 O TYR A 52 -1.905 -2.900 4.929 1.00 0.00 O ATOM 813 CB TYR A 52 -2.472 -4.448 1.996 1.00 0.00 C ATOM 814 CG TYR A 52 -1.015 -4.111 1.672 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.009 -4.986 2.029 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.707 -2.933 1.022 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.363 -4.669 1.724 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.665 -2.617 0.717 1.00 0.00 C ATOM 819 CZ TYR A 52 1.632 -3.500 1.083 1.00 0.00 C ATOM 820 OH TYR A 52 2.926 -3.201 0.794 1.00 0.00 O ATOM 0 H TYR A 52 -4.787 -4.844 3.041 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.984 -5.211 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.747 -5.365 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.112 -3.656 1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.250 -5.908 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.494 -2.249 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.160 -5.344 1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.920 -1.699 0.209 1.00 0.00 H new ATOM 0 HH TYR A 52 3.387 -4.008 0.483 1.00 0.00 H new ATOM 830 N VAL A 53 -3.839 -2.500 3.828 1.00 0.00 N ATOM 831 CA VAL A 53 -4.009 -1.168 4.384 1.00 0.00 C ATOM 832 C VAL A 53 -4.425 -1.282 5.852 1.00 0.00 C ATOM 833 O VAL A 53 -5.458 -0.747 6.252 1.00 0.00 O ATOM 834 CB VAL A 53 -5.007 -0.373 3.540 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.752 -0.582 2.047 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.448 -0.736 3.907 1.00 0.00 C ATOM 0 H VAL A 53 -4.576 -2.792 3.186 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.068 -0.619 4.355 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.862 0.685 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.475 -0.006 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.744 -0.250 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.855 -1.640 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.137 -0.157 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.611 -1.799 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.623 -0.511 4.959 1.00 0.00 H new ATOM 846 N ASN A 54 -3.599 -1.983 6.615 1.00 0.00 N ATOM 847 CA ASN A 54 -3.867 -2.174 8.029 1.00 0.00 C ATOM 848 C ASN A 54 -2.810 -3.108 8.624 1.00 0.00 C ATOM 849 O ASN A 54 -3.136 -4.010 9.393 1.00 0.00 O ATOM 850 CB ASN A 54 -5.240 -2.814 8.248 1.00 0.00 C ATOM 851 CG ASN A 54 -5.563 -2.921 9.740 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.529 -1.952 10.480 1.00 0.00 O ATOM 853 ND2 ASN A 54 -5.880 -4.150 10.138 1.00 0.00 N ATOM 0 H ASN A 54 -2.743 -2.426 6.280 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.843 -1.197 8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.006 -2.221 7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.259 -3.806 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.114 -4.325 11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.889 -4.917 9.466 1.00 0.00 H new ATOM 860 N SER A 55 -1.566 -2.859 8.243 1.00 0.00 N ATOM 861 CA SER A 55 -0.459 -3.666 8.728 1.00 0.00 C ATOM 862 C SER A 55 0.787 -3.410 7.879 1.00 0.00 C ATOM 863 O SER A 55 1.909 -3.519 8.369 1.00 0.00 O ATOM 864 CB SER A 55 -0.815 -5.154 8.713 1.00 0.00 C ATOM 865 OG SER A 55 -1.124 -5.642 10.016 1.00 0.00 O ATOM 0 H SER A 55 -1.300 -2.110 7.604 1.00 0.00 H new ATOM 0 HA SER A 55 -0.253 -3.379 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.668 -5.316 8.053 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.019 -5.722 8.301 1.00 0.00 H new ATOM 0 HG SER A 55 -1.978 -5.264 10.313 1.00 0.00 H new ATOM 871 N LYS A 56 0.547 -3.076 6.619 1.00 0.00 N ATOM 872 CA LYS A 56 1.636 -2.803 5.697 1.00 0.00 C ATOM 873 C LYS A 56 1.634 -1.317 5.335 1.00 0.00 C ATOM 874 O LYS A 56 2.557 -0.831 4.685 1.00 0.00 O ATOM 875 CB LYS A 56 1.555 -3.731 4.482 1.00 0.00 C ATOM 876 CG LYS A 56 1.361 -5.186 4.916 1.00 0.00 C ATOM 877 CD LYS A 56 2.643 -5.749 5.533 1.00 0.00 C ATOM 878 CE LYS A 56 2.324 -6.705 6.684 1.00 0.00 C ATOM 879 NZ LYS A 56 3.140 -7.935 6.577 1.00 0.00 N ATOM 0 H LYS A 56 -0.386 -2.988 6.215 1.00 0.00 H new ATOM 0 HA LYS A 56 2.595 -3.015 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.728 -3.426 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.466 -3.642 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.547 -5.248 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.071 -5.790 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.219 -6.273 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.265 -4.931 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.519 -6.214 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.265 -6.962 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.911 -8.573 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.934 -8.411 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.149 -7.686 6.614 1.00 0.00 H new ATOM 893 N VAL A 57 0.585 -0.636 5.774 1.00 0.00 N ATOM 894 CA VAL A 57 0.450 0.786 5.506 1.00 0.00 C ATOM 895 C VAL A 57 0.998 1.579 6.693 1.00 0.00 C ATOM 896 O VAL A 57 1.774 2.517 6.513 1.00 0.00 O ATOM 897 CB VAL A 57 -1.007 1.122 5.183 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.429 2.431 5.853 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.235 1.180 3.671 1.00 0.00 C ATOM 0 H VAL A 57 -0.179 -1.043 6.313 1.00 0.00 H new ATOM 0 HA VAL A 57 1.035 1.067 4.630 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.632 0.324 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.469 2.647 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.323 2.337 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.796 3.243 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.279 1.421 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.595 1.948 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.994 0.213 3.229 1.00 0.00 H new ATOM 909 N ASP A 58 0.573 1.174 7.881 1.00 0.00 N ATOM 910 CA ASP A 58 1.012 1.835 9.099 1.00 0.00 C ATOM 911 C ASP A 58 2.535 1.969 9.080 1.00 0.00 C ATOM 912 O ASP A 58 3.073 3.028 9.404 1.00 0.00 O ATOM 913 CB ASP A 58 0.623 1.024 10.336 1.00 0.00 C ATOM 914 CG ASP A 58 -0.444 1.668 11.222 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.819 2.820 10.914 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.862 0.993 12.189 1.00 0.00 O ATOM 0 H ASP A 58 -0.071 0.396 8.026 1.00 0.00 H new ATOM 0 HA ASP A 58 0.533 2.813 9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.264 0.047 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.517 0.853 10.936 1.00 0.00 H new ATOM 922 N PRO A 59 3.206 0.854 8.687 1.00 0.00 N ATOM 923 CA PRO A 59 4.658 0.837 8.623 1.00 0.00 C ATOM 924 C PRO A 59 5.161 1.611 7.402 1.00 0.00 C ATOM 925 O PRO A 59 5.955 2.540 7.536 1.00 0.00 O ATOM 926 CB PRO A 59 5.033 -0.636 8.589 1.00 0.00 C ATOM 927 CG PRO A 59 3.775 -1.377 8.168 1.00 0.00 C ATOM 928 CD PRO A 59 2.603 -0.417 8.297 1.00 0.00 C ATOM 0 HA PRO A 59 5.123 1.333 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.846 -0.816 7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.377 -0.974 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.867 -1.732 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.621 -2.254 8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.061 -0.326 7.356 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.889 -0.762 9.044 1.00 0.00 H new ATOM 936 N ILE A 60 4.678 1.198 6.240 1.00 0.00 N ATOM 937 CA ILE A 60 5.069 1.840 4.996 1.00 0.00 C ATOM 938 C ILE A 60 5.029 3.359 5.177 1.00 0.00 C ATOM 939 O ILE A 60 6.048 4.032 5.034 1.00 0.00 O ATOM 940 CB ILE A 60 4.206 1.336 3.838 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.683 -0.034 3.355 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.160 2.361 2.702 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.794 -0.557 2.225 1.00 0.00 C ATOM 0 H ILE A 60 4.019 0.427 6.133 1.00 0.00 H new ATOM 0 HA ILE A 60 6.094 1.576 4.737 1.00 0.00 H new ATOM 0 HB ILE A 60 3.186 1.212 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.714 0.037 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.674 -0.740 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.540 1.978 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.737 3.295 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.170 2.541 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.155 -1.533 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.768 -0.650 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.824 0.139 1.387 1.00 0.00 H new ATOM 955 N ILE A 61 3.841 3.855 5.490 1.00 0.00 N ATOM 956 CA ILE A 61 3.655 5.282 5.692 1.00 0.00 C ATOM 957 C ILE A 61 4.609 5.766 6.785 1.00 0.00 C ATOM 958 O ILE A 61 4.961 6.944 6.830 1.00 0.00 O ATOM 959 CB ILE A 61 2.184 5.594 5.977 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.272 4.923 4.949 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.950 7.105 6.052 1.00 0.00 C ATOM 962 CD1 ILE A 61 0.030 5.777 4.678 1.00 0.00 C ATOM 0 H ILE A 61 2.997 3.294 5.609 1.00 0.00 H new ATOM 0 HA ILE A 61 3.904 5.832 4.785 1.00 0.00 H new ATOM 0 HB ILE A 61 1.929 5.179 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.819 4.766 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.970 3.940 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.897 7.300 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.559 7.528 6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.227 7.564 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.602 5.277 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.528 5.912 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.335 6.750 4.293 1.00 0.00 H new ATOM 974 N HIS A 62 5.001 4.833 7.640 1.00 0.00 N ATOM 975 CA HIS A 62 5.909 5.150 8.731 1.00 0.00 C ATOM 976 C HIS A 62 7.283 5.511 8.165 1.00 0.00 C ATOM 977 O HIS A 62 8.015 6.301 8.760 1.00 0.00 O ATOM 978 CB HIS A 62 5.966 4.003 9.741 1.00 0.00 C ATOM 979 CG HIS A 62 7.322 3.347 9.849 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.176 2.901 8.884 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.933 3.086 11.063 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.252 2.397 9.475 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 9.103 2.510 10.826 1.00 0.00 N flip ATOM 0 H HIS A 62 4.707 3.857 7.600 1.00 0.00 H new ATOM 0 HA HIS A 62 5.540 6.018 9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.678 4.381 10.722 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.230 3.249 9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.526 3.313 12.037 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.105 1.968 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.774 2.205 11.531 1.00 0.00 H new ATOM 992 N GLU A 63 7.593 4.915 7.022 1.00 0.00 N ATOM 993 CA GLU A 63 8.868 5.165 6.370 1.00 0.00 C ATOM 994 C GLU A 63 8.750 6.351 5.411 1.00 0.00 C ATOM 995 O GLU A 63 9.678 7.147 5.286 1.00 0.00 O ATOM 996 CB GLU A 63 9.362 3.915 5.638 1.00 0.00 C ATOM 997 CG GLU A 63 10.480 3.227 6.425 1.00 0.00 C ATOM 998 CD GLU A 63 11.758 4.068 6.411 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.654 5.263 6.765 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.809 3.498 6.049 1.00 0.00 O ATOM 0 H GLU A 63 6.984 4.260 6.531 1.00 0.00 H new ATOM 0 HA GLU A 63 9.604 5.414 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.533 3.222 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.725 4.188 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.159 3.065 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.681 2.246 5.995 1.00 0.00 H new ATOM 1008 N LEU A 64 7.600 6.430 4.757 1.00 0.00 N ATOM 1009 CA LEU A 64 7.349 7.506 3.813 1.00 0.00 C ATOM 1010 C LEU A 64 7.297 8.837 4.564 1.00 0.00 C ATOM 1011 O LEU A 64 7.820 9.844 4.089 1.00 0.00 O ATOM 1012 CB LEU A 64 6.092 7.214 2.990 1.00 0.00 C ATOM 1013 CG LEU A 64 6.131 5.949 2.131 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.728 5.565 1.656 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.107 6.109 0.964 1.00 0.00 C ATOM 0 H LEU A 64 6.832 5.767 4.862 1.00 0.00 H new ATOM 0 HA LEU A 64 8.164 7.579 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.245 7.140 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.903 8.066 2.338 1.00 0.00 H new ATOM 0 HG LEU A 64 6.498 5.129 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.784 4.662 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.089 5.381 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.310 6.378 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.116 5.196 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.794 6.946 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.108 6.300 1.351 1.00 0.00 H new ATOM 1027 N GLU A 65 6.662 8.799 5.727 1.00 0.00 N ATOM 1028 CA GLU A 65 6.535 9.991 6.549 1.00 0.00 C ATOM 1029 C GLU A 65 7.845 10.268 7.288 1.00 0.00 C ATOM 1030 O GLU A 65 8.164 11.418 7.585 1.00 0.00 O ATOM 1031 CB GLU A 65 5.369 9.858 7.531 1.00 0.00 C ATOM 1032 CG GLU A 65 5.821 9.187 8.830 1.00 0.00 C ATOM 1033 CD GLU A 65 6.438 10.207 9.788 1.00 0.00 C ATOM 1034 OE1 GLU A 65 5.850 11.304 9.906 1.00 0.00 O ATOM 1035 OE2 GLU A 65 7.486 9.868 10.381 1.00 0.00 O ATOM 0 H GLU A 65 6.230 7.962 6.119 1.00 0.00 H new ATOM 0 HA GLU A 65 6.323 10.838 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.959 10.844 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.569 9.274 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.970 8.702 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.548 8.407 8.606 1.00 0.00 H new ATOM 1043 N GLY A 66 8.570 9.193 7.566 1.00 0.00 N ATOM 1044 CA GLY A 66 9.839 9.306 8.264 1.00 0.00 C ATOM 1045 C GLY A 66 10.854 10.096 7.434 1.00 0.00 C ATOM 1046 O GLY A 66 11.477 11.030 7.935 1.00 0.00 O ATOM 0 H GLY A 66 8.302 8.240 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.687 9.799 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.232 8.311 8.475 1.00 0.00 H new ATOM 1050 N GLY A 67 10.986 9.690 6.180 1.00 0.00 N ATOM 1051 CA GLY A 67 11.915 10.348 5.276 1.00 0.00 C ATOM 1052 C GLY A 67 12.253 9.447 4.085 1.00 0.00 C ATOM 1053 O GLY A 67 12.622 9.935 3.019 1.00 0.00 O ATOM 0 H GLY A 67 10.466 8.915 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.480 11.282 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.828 10.606 5.812 1.00 0.00 H new ATOM 1057 N THR A 68 12.112 8.149 4.309 1.00 0.00 N ATOM 1058 CA THR A 68 12.398 7.176 3.268 1.00 0.00 C ATOM 1059 C THR A 68 11.656 7.539 1.981 1.00 0.00 C ATOM 1060 O THR A 68 10.720 8.337 2.003 1.00 0.00 O ATOM 1061 CB THR A 68 12.038 5.790 3.806 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.018 5.541 4.810 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.272 4.683 2.776 1.00 0.00 C ATOM 0 H THR A 68 11.804 7.748 5.195 1.00 0.00 H new ATOM 0 HA THR A 68 13.456 7.175 3.007 1.00 0.00 H new ATOM 0 HB THR A 68 10.993 5.782 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.752 5.983 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.001 3.720 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.659 4.870 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.324 4.669 2.490 1.00 0.00 H new ATOM 1071 N ALA A 69 12.101 6.937 0.888 1.00 0.00 N ATOM 1072 CA ALA A 69 11.492 7.187 -0.407 1.00 0.00 C ATOM 1073 C ALA A 69 10.475 6.085 -0.708 1.00 0.00 C ATOM 1074 O ALA A 69 10.491 5.030 -0.076 1.00 0.00 O ATOM 1075 CB ALA A 69 12.583 7.281 -1.475 1.00 0.00 C ATOM 0 H ALA A 69 12.877 6.276 0.873 1.00 0.00 H new ATOM 0 HA ALA A 69 10.958 8.137 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.126 7.469 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.263 8.097 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.139 6.344 -1.510 1.00 0.00 H new ATOM 1081 N PRO A 70 9.590 6.375 -1.699 1.00 0.00 N ATOM 1082 CA PRO A 70 8.566 5.421 -2.092 1.00 0.00 C ATOM 1083 C PRO A 70 9.168 4.280 -2.915 1.00 0.00 C ATOM 1084 O PRO A 70 8.875 4.145 -4.102 1.00 0.00 O ATOM 1085 CB PRO A 70 7.544 6.237 -2.866 1.00 0.00 C ATOM 1086 CG PRO A 70 8.256 7.516 -3.276 1.00 0.00 C ATOM 1087 CD PRO A 70 9.540 7.614 -2.469 1.00 0.00 C ATOM 0 HA PRO A 70 8.099 4.929 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.189 5.691 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.672 6.456 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.476 7.505 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.621 8.383 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.410 7.712 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.531 8.486 -1.815 1.00 0.00 H new ATOM 1095 N LYS A 71 9.997 3.487 -2.252 1.00 0.00 N ATOM 1096 CA LYS A 71 10.642 2.362 -2.908 1.00 0.00 C ATOM 1097 C LYS A 71 11.512 1.618 -1.894 1.00 0.00 C ATOM 1098 O LYS A 71 11.600 0.392 -1.927 1.00 0.00 O ATOM 1099 CB LYS A 71 11.406 2.831 -4.148 1.00 0.00 C ATOM 1100 CG LYS A 71 12.391 3.947 -3.795 1.00 0.00 C ATOM 1101 CD LYS A 71 13.270 4.302 -4.997 1.00 0.00 C ATOM 1102 CE LYS A 71 13.285 5.813 -5.239 1.00 0.00 C ATOM 1103 NZ LYS A 71 14.514 6.415 -4.676 1.00 0.00 N ATOM 0 H LYS A 71 10.237 3.601 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 71 9.897 1.653 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.944 1.991 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.702 3.187 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.843 4.830 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.019 3.633 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.286 3.948 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.900 3.791 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.230 6.017 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.407 6.269 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.509 7.441 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.550 6.236 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.348 5.992 -5.131 1.00 0.00 H new ATOM 1117 N ASP A 72 12.136 2.391 -1.017 1.00 0.00 N ATOM 1118 CA ASP A 72 12.997 1.819 0.005 1.00 0.00 C ATOM 1119 C ASP A 72 12.188 1.604 1.285 1.00 0.00 C ATOM 1120 O ASP A 72 12.707 1.081 2.272 1.00 0.00 O ATOM 1121 CB ASP A 72 14.160 2.758 0.333 1.00 0.00 C ATOM 1122 CG ASP A 72 15.321 2.110 1.089 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.040 1.172 1.866 1.00 0.00 O ATOM 1124 OD2 ASP A 72 16.465 2.566 0.871 1.00 0.00 O ATOM 0 H ASP A 72 12.063 3.408 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 72 13.390 0.876 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.542 3.178 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.779 3.590 0.926 1.00 0.00 H new ATOM 1130 N VAL A 73 10.930 2.015 1.230 1.00 0.00 N ATOM 1131 CA VAL A 73 10.044 1.873 2.372 1.00 0.00 C ATOM 1132 C VAL A 73 9.755 0.389 2.607 1.00 0.00 C ATOM 1133 O VAL A 73 10.418 -0.255 3.421 1.00 0.00 O ATOM 1134 CB VAL A 73 8.775 2.701 2.157 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.640 2.210 3.058 1.00 0.00 C ATOM 1136 CG2 VAL A 73 9.048 4.190 2.382 1.00 0.00 C ATOM 0 H VAL A 73 10.503 2.447 0.411 1.00 0.00 H new ATOM 0 HA VAL A 73 10.520 2.259 3.274 1.00 0.00 H new ATOM 0 HB VAL A 73 8.461 2.570 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.750 2.816 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.419 1.167 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.941 2.297 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.130 4.756 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.398 4.346 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.810 4.530 1.681 1.00 0.00 H new ATOM 1146 N CYS A 74 8.768 -0.112 1.879 1.00 0.00 N ATOM 1147 CA CYS A 74 8.384 -1.508 1.998 1.00 0.00 C ATOM 1148 C CYS A 74 9.639 -2.327 2.304 1.00 0.00 C ATOM 1149 O CYS A 74 9.679 -3.067 3.286 1.00 0.00 O ATOM 1150 CB CYS A 74 7.669 -2.007 0.741 1.00 0.00 C ATOM 1151 SG CYS A 74 8.073 -1.087 -0.788 1.00 0.00 S ATOM 0 H CYS A 74 8.222 0.424 1.204 1.00 0.00 H new ATOM 0 HA CYS A 74 7.669 -1.623 2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.917 -3.058 0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.593 -1.954 0.907 1.00 0.00 H new ATOM 1156 N THR A 75 10.636 -2.167 1.446 1.00 0.00 N ATOM 1157 CA THR A 75 11.889 -2.883 1.611 1.00 0.00 C ATOM 1158 C THR A 75 12.363 -2.798 3.063 1.00 0.00 C ATOM 1159 O THR A 75 12.581 -3.821 3.710 1.00 0.00 O ATOM 1160 CB THR A 75 12.895 -2.312 0.610 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.194 -2.323 -0.631 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.082 -3.249 0.374 1.00 0.00 C ATOM 0 H THR A 75 10.601 -1.551 0.634 1.00 0.00 H new ATOM 0 HA THR A 75 11.768 -3.946 1.402 1.00 0.00 H new ATOM 0 HB THR A 75 13.258 -1.349 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.064 -1.403 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.766 -2.796 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.605 -3.418 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.722 -4.200 -0.018 1.00 0.00 H new ATOM 1170 N LYS A 76 12.511 -1.567 3.533 1.00 0.00 N ATOM 1171 CA LYS A 76 12.956 -1.335 4.897 1.00 0.00 C ATOM 1172 C LYS A 76 12.205 -2.276 5.840 1.00 0.00 C ATOM 1173 O LYS A 76 12.819 -2.958 6.660 1.00 0.00 O ATOM 1174 CB LYS A 76 12.814 0.144 5.261 1.00 0.00 C ATOM 1175 CG LYS A 76 14.077 0.924 4.891 1.00 0.00 C ATOM 1176 CD LYS A 76 14.805 1.415 6.144 1.00 0.00 C ATOM 1177 CE LYS A 76 15.810 0.373 6.638 1.00 0.00 C ATOM 1178 NZ LYS A 76 15.435 -0.111 7.985 1.00 0.00 N ATOM 0 H LYS A 76 12.331 -0.720 2.993 1.00 0.00 H new ATOM 0 HA LYS A 76 14.017 -1.564 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.955 0.569 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.622 0.242 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.742 0.290 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.812 1.775 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.322 2.349 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.080 1.628 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.846 -0.465 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.809 0.808 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.128 -0.818 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.423 0.688 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.490 -0.544 7.948 1.00 0.00 H new ATOM 1192 N LEU A 77 10.888 -2.283 5.694 1.00 0.00 N ATOM 1193 CA LEU A 77 10.048 -3.130 6.523 1.00 0.00 C ATOM 1194 C LEU A 77 9.890 -4.496 5.855 1.00 0.00 C ATOM 1195 O LEU A 77 8.828 -5.112 5.934 1.00 0.00 O ATOM 1196 CB LEU A 77 8.717 -2.435 6.823 1.00 0.00 C ATOM 1197 CG LEU A 77 8.662 -0.936 6.523 1.00 0.00 C ATOM 1198 CD1 LEU A 77 9.965 -0.246 6.930 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.313 -0.683 5.055 1.00 0.00 C ATOM 0 H LEU A 77 10.382 -1.715 5.014 1.00 0.00 H new ATOM 0 HA LEU A 77 10.518 -3.301 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.934 -2.930 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.481 -2.584 7.877 1.00 0.00 H new ATOM 0 HG LEU A 77 7.865 -0.497 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.898 0.819 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.130 -0.382 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.796 -0.682 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.280 0.390 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.070 -1.139 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.340 -1.120 4.832 1.00 0.00 H new ATOM 1211 N ASN A 78 10.963 -4.932 5.212 1.00 0.00 N ATOM 1212 CA ASN A 78 10.958 -6.216 4.530 1.00 0.00 C ATOM 1213 C ASN A 78 9.595 -6.431 3.868 1.00 0.00 C ATOM 1214 O ASN A 78 9.137 -7.565 3.737 1.00 0.00 O ATOM 1215 CB ASN A 78 11.192 -7.363 5.514 1.00 0.00 C ATOM 1216 CG ASN A 78 12.199 -8.369 4.952 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.938 -9.081 3.995 1.00 0.00 O ATOM 1218 ND2 ASN A 78 13.361 -8.390 5.598 1.00 0.00 N ATOM 0 H ASN A 78 11.842 -4.419 5.149 1.00 0.00 H new ATOM 0 HA ASN A 78 11.758 -6.208 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.558 -6.966 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.248 -7.866 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.099 -9.028 5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.515 -7.768 6.391 1.00 0.00 H new ATOM 1225 N GLU A 79 8.986 -5.324 3.468 1.00 0.00 N ATOM 1226 CA GLU A 79 7.685 -5.378 2.824 1.00 0.00 C ATOM 1227 C GLU A 79 7.847 -5.424 1.303 1.00 0.00 C ATOM 1228 O GLU A 79 6.883 -5.668 0.579 1.00 0.00 O ATOM 1229 CB GLU A 79 6.815 -4.192 3.246 1.00 0.00 C ATOM 1230 CG GLU A 79 5.382 -4.642 3.543 1.00 0.00 C ATOM 1231 CD GLU A 79 4.715 -5.212 2.290 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.843 -4.558 1.232 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.093 -6.288 2.419 1.00 0.00 O ATOM 0 H GLU A 79 9.369 -4.385 3.578 1.00 0.00 H new ATOM 0 HA GLU A 79 7.180 -6.290 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.242 -3.719 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.808 -3.442 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.390 -5.396 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.802 -3.798 3.916 1.00 0.00 H new ATOM 1241 N CYS A 80 9.074 -5.186 0.863 1.00 0.00 N ATOM 1242 CA CYS A 80 9.375 -5.197 -0.558 1.00 0.00 C ATOM 1243 C CYS A 80 10.667 -5.989 -0.769 1.00 0.00 C ATOM 1244 O CYS A 80 11.750 -5.408 -0.841 1.00 0.00 O ATOM 1245 CB CYS A 80 9.474 -3.780 -1.127 1.00 0.00 C ATOM 1246 SG CYS A 80 8.005 -3.226 -2.067 1.00 0.00 S ATOM 0 H CYS A 80 9.871 -4.984 1.466 1.00 0.00 H new ATOM 0 HA CYS A 80 8.562 -5.679 -1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.645 -3.085 -0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.346 -3.725 -1.778 1.00 0.00 H new ATOM 1251 N PRO A 81 10.507 -7.335 -0.865 1.00 0.00 N ATOM 1252 CA PRO A 81 9.190 -7.942 -0.769 1.00 0.00 C ATOM 1253 C PRO A 81 8.695 -7.951 0.679 1.00 0.00 C ATOM 1254 O PRO A 81 9.354 -8.500 1.560 1.00 0.00 O ATOM 1255 CB PRO A 81 9.357 -9.337 -1.349 1.00 0.00 C ATOM 1256 CG PRO A 81 10.849 -9.626 -1.319 1.00 0.00 C ATOM 1257 CD PRO A 81 11.572 -8.314 -1.066 1.00 0.00 C ATOM 0 HA PRO A 81 8.429 -7.386 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.805 -10.072 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.970 -9.385 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.082 -10.348 -0.536 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.172 -10.064 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.218 -8.381 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.205 -8.042 -1.910 1.00 0.00 H new TER 1265 PRO A 81