USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 42 GLN : amide:sc= 0.255 K(o=-0.34,f=-1) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.596 X(o=-0.34,f=-0.00091) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.129 (180deg=-0.64) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.39 (180deg=0.591) USER MOD Single : A 4 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0.0043) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 10 HIS : no HE2:sc= 0.154 K(o=0.15,f=-0.99) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -32:sc= 0.0469 USER MOD Single : A 30 MET CE :methyl -118:sc= -1.22 (180deg=-2.06) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0754) USER MOD Single : A 38 HIS : no HE2:sc= 0.971 K(o=0.97,f=-5.8!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0242 (180deg=-0.147) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.244 K(o=0.24,f=-0.94) USER MOD Single : A 62 SER OG : rot 180:sc= 0.236 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0.944 (180deg=-0.459!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.251 -7.609 5.760 1.00 0.00 N ATOM 2 CA MET A 1 60.686 -7.254 5.646 1.00 0.00 C ATOM 3 C MET A 1 61.011 -6.100 6.580 1.00 0.00 C ATOM 4 O MET A 1 60.356 -5.058 6.546 1.00 0.00 O ATOM 5 CB MET A 1 61.050 -6.873 4.204 1.00 0.00 C ATOM 6 CG MET A 1 60.976 -8.030 3.216 1.00 0.00 C ATOM 7 SD MET A 1 59.287 -8.543 2.849 1.00 0.00 S ATOM 8 CE MET A 1 58.661 -7.090 2.008 1.00 0.00 C ATOM 0 H1 MET A 1 58.948 -8.109 4.900 1.00 0.00 H new ATOM 0 H2 MET A 1 59.110 -8.225 6.586 1.00 0.00 H new ATOM 0 H3 MET A 1 58.687 -6.743 5.874 1.00 0.00 H new ATOM 0 HA MET A 1 61.274 -8.128 5.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 60.381 -6.080 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.060 -6.463 4.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 61.470 -7.740 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 61.527 -8.879 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 1 57.807 -7.367 1.390 1.00 0.00 H new ATOM 0 HE2 MET A 1 58.351 -6.349 2.744 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.444 -6.669 1.377 1.00 0.00 H new ATOM 18 N GLU A 2 62.024 -6.290 7.414 1.00 0.00 N ATOM 19 CA GLU A 2 62.376 -5.301 8.420 1.00 0.00 C ATOM 20 C GLU A 2 63.284 -4.230 7.836 1.00 0.00 C ATOM 21 O GLU A 2 64.456 -4.478 7.551 1.00 0.00 O ATOM 22 CB GLU A 2 63.069 -5.951 9.625 1.00 0.00 C ATOM 23 CG GLU A 2 62.294 -7.094 10.262 1.00 0.00 C ATOM 24 CD GLU A 2 62.542 -8.422 9.578 1.00 0.00 C ATOM 25 OE1 GLU A 2 63.548 -9.081 9.912 1.00 0.00 O ATOM 26 OE2 GLU A 2 61.739 -8.814 8.706 1.00 0.00 O ATOM 0 H GLU A 2 62.616 -7.121 7.413 1.00 0.00 H new ATOM 0 HA GLU A 2 61.447 -4.841 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 2 64.044 -6.322 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 2 63.248 -5.186 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 2 62.571 -7.174 11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 2 61.228 -6.867 10.230 1.00 0.00 H new ATOM 33 N LEU A 3 62.730 -3.047 7.644 1.00 0.00 N ATOM 34 CA LEU A 3 63.515 -1.902 7.220 1.00 0.00 C ATOM 35 C LEU A 3 63.958 -1.121 8.447 1.00 0.00 C ATOM 36 O LEU A 3 63.224 -1.038 9.432 1.00 0.00 O ATOM 37 CB LEU A 3 62.705 -1.010 6.279 1.00 0.00 C ATOM 38 CG LEU A 3 62.262 -1.675 4.974 1.00 0.00 C ATOM 39 CD1 LEU A 3 61.423 -0.713 4.148 1.00 0.00 C ATOM 40 CD2 LEU A 3 63.471 -2.149 4.179 1.00 0.00 C ATOM 0 H LEU A 3 61.737 -2.854 7.775 1.00 0.00 H new ATOM 0 HA LEU A 3 64.393 -2.249 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.819 -0.660 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 3 63.300 -0.130 6.036 1.00 0.00 H new ATOM 0 HG LEU A 3 61.651 -2.544 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 3 61.115 -1.201 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 3 60.539 -0.421 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 3 62.012 0.173 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 3 63.137 -2.619 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.108 -1.297 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 64.035 -2.871 4.770 1.00 0.00 H new ATOM 52 N HIS A 4 65.156 -0.565 8.403 1.00 0.00 N ATOM 53 CA HIS A 4 65.719 0.110 9.565 1.00 0.00 C ATOM 54 C HIS A 4 65.807 1.618 9.348 1.00 0.00 C ATOM 55 O HIS A 4 65.813 2.093 8.214 1.00 0.00 O ATOM 56 CB HIS A 4 67.104 -0.461 9.890 1.00 0.00 C ATOM 57 CG HIS A 4 67.078 -1.915 10.257 1.00 0.00 C ATOM 58 ND1 HIS A 4 67.786 -2.879 9.575 1.00 0.00 N ATOM 59 CD2 HIS A 4 66.430 -2.563 11.250 1.00 0.00 C ATOM 60 CE1 HIS A 4 67.573 -4.056 10.133 1.00 0.00 C ATOM 61 NE2 HIS A 4 66.753 -3.892 11.156 1.00 0.00 N ATOM 0 H HIS A 4 65.758 -0.566 7.580 1.00 0.00 H new ATOM 0 HA HIS A 4 65.052 -0.067 10.409 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.757 -0.323 9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.539 0.106 10.713 1.00 0.00 H new ATOM 0 HD2 HIS A 4 65.777 -2.115 11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 4 67.997 -4.995 9.808 1.00 0.00 H new ATOM 0 HE2 HIS A 4 66.416 -4.631 11.773 1.00 0.00 H new ATOM 70 N CYS A 5 65.858 2.363 10.450 1.00 0.00 N ATOM 71 CA CYS A 5 65.990 3.815 10.395 1.00 0.00 C ATOM 72 C CYS A 5 67.414 4.185 10.013 1.00 0.00 C ATOM 73 O CYS A 5 68.362 3.719 10.641 1.00 0.00 O ATOM 74 CB CYS A 5 65.653 4.439 11.759 1.00 0.00 C ATOM 75 SG CYS A 5 65.422 6.245 11.746 1.00 0.00 S ATOM 0 H CYS A 5 65.810 1.982 11.395 1.00 0.00 H new ATOM 0 HA CYS A 5 65.295 4.198 9.648 1.00 0.00 H new ATOM 0 HB2 CYS A 5 64.743 3.975 12.139 1.00 0.00 H new ATOM 0 HB3 CYS A 5 66.451 4.195 12.460 1.00 0.00 H new ATOM 80 N PRO A 6 67.583 5.030 8.989 1.00 0.00 N ATOM 81 CA PRO A 6 68.909 5.478 8.549 1.00 0.00 C ATOM 82 C PRO A 6 69.633 6.284 9.627 1.00 0.00 C ATOM 83 O PRO A 6 70.850 6.449 9.583 1.00 0.00 O ATOM 84 CB PRO A 6 68.612 6.353 7.326 1.00 0.00 C ATOM 85 CG PRO A 6 67.179 6.742 7.459 1.00 0.00 C ATOM 86 CD PRO A 6 66.503 5.602 8.164 1.00 0.00 C ATOM 0 HA PRO A 6 69.569 4.639 8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 6 69.258 7.231 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.787 5.806 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 6 67.077 7.667 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 6 66.730 6.917 6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.668 5.944 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 6 66.104 4.872 7.459 1.00 0.00 H new ATOM 94 N GLN A 7 68.874 6.780 10.598 1.00 0.00 N ATOM 95 CA GLN A 7 69.439 7.552 11.696 1.00 0.00 C ATOM 96 C GLN A 7 69.480 6.718 12.979 1.00 0.00 C ATOM 97 O GLN A 7 70.508 6.133 13.317 1.00 0.00 O ATOM 98 CB GLN A 7 68.623 8.823 11.923 1.00 0.00 C ATOM 99 CG GLN A 7 68.647 9.800 10.761 1.00 0.00 C ATOM 100 CD GLN A 7 67.656 10.932 10.947 1.00 0.00 C ATOM 101 OE1 GLN A 7 67.967 11.951 11.560 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.454 10.766 10.412 1.00 0.00 N ATOM 0 H GLN A 7 67.862 6.660 10.646 1.00 0.00 H new ATOM 0 HA GLN A 7 70.459 7.829 11.431 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.589 8.545 12.127 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.999 9.327 12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 7 69.651 10.211 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.421 9.269 9.837 1.00 0.00 H new ATOM 0 HE21 GLN A 7 66.233 9.906 9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.750 11.499 10.502 1.00 0.00 H new ATOM 111 N CYS A 8 68.351 6.640 13.676 1.00 0.00 N ATOM 112 CA CYS A 8 68.268 5.870 14.907 1.00 0.00 C ATOM 113 C CYS A 8 67.801 4.461 14.590 1.00 0.00 C ATOM 114 O CYS A 8 66.643 4.100 14.816 1.00 0.00 O ATOM 115 CB CYS A 8 67.350 6.541 15.945 1.00 0.00 C ATOM 116 SG CYS A 8 65.633 6.784 15.413 1.00 0.00 S ATOM 0 H CYS A 8 67.482 7.102 13.407 1.00 0.00 H new ATOM 0 HA CYS A 8 69.261 5.827 15.354 1.00 0.00 H new ATOM 0 HB2 CYS A 8 67.351 5.936 16.852 1.00 0.00 H new ATOM 0 HB3 CYS A 8 67.773 7.511 16.208 1.00 0.00 H new ATOM 121 N GLN A 9 68.706 3.731 13.957 1.00 0.00 N ATOM 122 CA GLN A 9 68.533 2.316 13.629 1.00 0.00 C ATOM 123 C GLN A 9 67.693 1.579 14.667 1.00 0.00 C ATOM 124 O GLN A 9 68.090 1.409 15.819 1.00 0.00 O ATOM 125 CB GLN A 9 69.899 1.648 13.480 1.00 0.00 C ATOM 126 CG GLN A 9 70.681 2.147 12.275 1.00 0.00 C ATOM 127 CD GLN A 9 72.036 1.484 12.138 1.00 0.00 C ATOM 128 OE1 GLN A 9 72.235 0.347 12.567 1.00 0.00 O ATOM 129 NE2 GLN A 9 72.982 2.181 11.531 1.00 0.00 N ATOM 0 H GLN A 9 69.602 4.109 13.649 1.00 0.00 H new ATOM 0 HA GLN A 9 67.993 2.261 12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 9 70.483 1.825 14.383 1.00 0.00 H new ATOM 0 HB3 GLN A 9 69.762 0.570 13.395 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.100 1.966 11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 9 70.816 3.226 12.357 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.782 3.121 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 9 73.911 1.779 11.406 1.00 0.00 H new ATOM 138 N HIS A 10 66.515 1.167 14.226 1.00 0.00 N ATOM 139 CA HIS A 10 65.534 0.492 15.062 1.00 0.00 C ATOM 140 C HIS A 10 64.662 -0.384 14.175 1.00 0.00 C ATOM 141 O HIS A 10 64.911 -1.576 14.008 1.00 0.00 O ATOM 142 CB HIS A 10 64.647 1.518 15.784 1.00 0.00 C ATOM 143 CG HIS A 10 64.976 1.747 17.227 1.00 0.00 C ATOM 144 ND1 HIS A 10 66.126 2.370 17.658 1.00 0.00 N ATOM 145 CD2 HIS A 10 64.262 1.475 18.341 1.00 0.00 C ATOM 146 CE1 HIS A 10 66.102 2.470 18.973 1.00 0.00 C ATOM 147 NE2 HIS A 10 64.981 1.936 19.414 1.00 0.00 N ATOM 0 H HIS A 10 66.208 1.294 13.262 1.00 0.00 H new ATOM 0 HA HIS A 10 66.051 -0.111 15.808 1.00 0.00 H new ATOM 0 HB2 HIS A 10 64.718 2.469 15.257 1.00 0.00 H new ATOM 0 HB3 HIS A 10 63.610 1.191 15.713 1.00 0.00 H new ATOM 0 HD1 HIS A 10 66.879 2.702 17.055 1.00 0.00 H new ATOM 0 HD2 HIS A 10 63.301 0.984 18.380 1.00 0.00 H new ATOM 0 HE1 HIS A 10 66.872 2.915 19.586 1.00 0.00 H new ATOM 156 N VAL A 11 63.662 0.250 13.572 1.00 0.00 N ATOM 157 CA VAL A 11 62.767 -0.395 12.628 1.00 0.00 C ATOM 158 C VAL A 11 61.792 0.642 12.077 1.00 0.00 C ATOM 159 O VAL A 11 61.409 1.579 12.784 1.00 0.00 O ATOM 160 CB VAL A 11 61.986 -1.568 13.277 1.00 0.00 C ATOM 161 CG1 VAL A 11 61.066 -1.073 14.384 1.00 0.00 C ATOM 162 CG2 VAL A 11 61.202 -2.348 12.229 1.00 0.00 C ATOM 0 H VAL A 11 63.451 1.236 13.729 1.00 0.00 H new ATOM 0 HA VAL A 11 63.367 -0.815 11.821 1.00 0.00 H new ATOM 0 HB VAL A 11 62.715 -2.242 13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 11 60.533 -1.918 14.819 1.00 0.00 H new ATOM 0 HG12 VAL A 11 61.658 -0.581 15.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.348 -0.365 13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.664 -3.164 12.710 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.491 -1.684 11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.890 -2.754 11.488 1.00 0.00 H new ATOM 172 N LEU A 12 61.436 0.513 10.811 1.00 0.00 N ATOM 173 CA LEU A 12 60.454 1.396 10.212 1.00 0.00 C ATOM 174 C LEU A 12 59.050 0.866 10.457 1.00 0.00 C ATOM 175 O LEU A 12 58.572 -0.019 9.741 1.00 0.00 O ATOM 176 CB LEU A 12 60.710 1.565 8.711 1.00 0.00 C ATOM 177 CG LEU A 12 61.986 2.334 8.356 1.00 0.00 C ATOM 178 CD1 LEU A 12 62.140 2.450 6.848 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.967 3.714 8.996 1.00 0.00 C ATOM 0 H LEU A 12 61.812 -0.194 10.180 1.00 0.00 H new ATOM 0 HA LEU A 12 60.545 2.376 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.759 0.577 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.858 2.080 8.268 1.00 0.00 H new ATOM 0 HG LEU A 12 62.841 1.781 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 12 63.052 3.000 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.196 1.453 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.282 2.980 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 62.880 4.249 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 61.104 4.272 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.904 3.612 10.079 1.00 0.00 H new ATOM 191 N ASP A 13 58.415 1.391 11.496 1.00 0.00 N ATOM 192 CA ASP A 13 57.056 1.008 11.853 1.00 0.00 C ATOM 193 C ASP A 13 56.101 1.471 10.761 1.00 0.00 C ATOM 194 O ASP A 13 55.832 2.659 10.625 1.00 0.00 O ATOM 195 CB ASP A 13 56.676 1.633 13.202 1.00 0.00 C ATOM 196 CG ASP A 13 55.392 1.075 13.785 1.00 0.00 C ATOM 197 OD1 ASP A 13 54.302 1.566 13.427 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.470 0.159 14.631 1.00 0.00 O ATOM 0 H ASP A 13 58.826 2.092 12.113 1.00 0.00 H new ATOM 0 HA ASP A 13 56.991 -0.076 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 13 57.488 1.471 13.911 1.00 0.00 H new ATOM 0 HB3 ASP A 13 56.571 2.711 13.078 1.00 0.00 H new ATOM 203 N GLN A 14 55.629 0.539 9.952 1.00 0.00 N ATOM 204 CA GLN A 14 54.805 0.881 8.805 1.00 0.00 C ATOM 205 C GLN A 14 53.374 0.393 8.986 1.00 0.00 C ATOM 206 O GLN A 14 53.137 -0.731 9.431 1.00 0.00 O ATOM 207 CB GLN A 14 55.426 0.309 7.528 1.00 0.00 C ATOM 208 CG GLN A 14 55.853 -1.144 7.653 1.00 0.00 C ATOM 209 CD GLN A 14 56.738 -1.589 6.508 1.00 0.00 C ATOM 210 OE1 GLN A 14 56.262 -2.100 5.496 1.00 0.00 O ATOM 211 NE2 GLN A 14 58.038 -1.389 6.662 1.00 0.00 N ATOM 0 H GLN A 14 55.802 -0.460 10.067 1.00 0.00 H new ATOM 0 HA GLN A 14 54.767 1.967 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 14 54.707 0.398 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 14 56.293 0.911 7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 14 56.385 -1.283 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 14 54.967 -1.778 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 14 58.390 -0.962 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 14 58.687 -1.662 5.924 1.00 0.00 H new ATOM 220 N ASP A 15 52.430 1.258 8.649 1.00 0.00 N ATOM 221 CA ASP A 15 51.011 0.954 8.783 1.00 0.00 C ATOM 222 C ASP A 15 50.230 1.681 7.697 1.00 0.00 C ATOM 223 O ASP A 15 50.637 2.766 7.266 1.00 0.00 O ATOM 224 CB ASP A 15 50.506 1.373 10.171 1.00 0.00 C ATOM 225 CG ASP A 15 49.025 1.097 10.374 1.00 0.00 C ATOM 226 OD1 ASP A 15 48.673 -0.047 10.737 1.00 0.00 O ATOM 227 OD2 ASP A 15 48.209 2.026 10.189 1.00 0.00 O ATOM 0 H ASP A 15 52.623 2.188 8.276 1.00 0.00 H new ATOM 0 HA ASP A 15 50.863 -0.120 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 15 51.076 0.843 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 15 50.694 2.437 10.314 1.00 0.00 H new ATOM 232 N ASN A 16 49.145 1.058 7.230 1.00 0.00 N ATOM 233 CA ASN A 16 48.248 1.650 6.225 1.00 0.00 C ATOM 234 C ASN A 16 48.876 1.662 4.827 1.00 0.00 C ATOM 235 O ASN A 16 48.221 1.325 3.845 1.00 0.00 O ATOM 236 CB ASN A 16 47.826 3.070 6.636 1.00 0.00 C ATOM 237 CG ASN A 16 46.897 3.725 5.632 1.00 0.00 C ATOM 238 OD1 ASN A 16 47.339 4.411 4.712 1.00 0.00 O ATOM 239 ND2 ASN A 16 45.602 3.523 5.811 1.00 0.00 N ATOM 0 H ASN A 16 48.860 0.128 7.536 1.00 0.00 H new ATOM 0 HA ASN A 16 47.360 1.019 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 16 47.333 3.030 7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 16 48.716 3.687 6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 16 44.927 3.944 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 16 45.278 2.947 6.588 1.00 0.00 H new ATOM 246 N GLY A 17 50.143 2.042 4.749 1.00 0.00 N ATOM 247 CA GLY A 17 50.827 2.099 3.472 1.00 0.00 C ATOM 248 C GLY A 17 52.054 2.992 3.513 1.00 0.00 C ATOM 249 O GLY A 17 52.730 3.177 2.504 1.00 0.00 O ATOM 0 H GLY A 17 50.712 2.313 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.123 1.093 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 17 50.139 2.466 2.710 1.00 0.00 H new ATOM 253 N HIS A 18 52.335 3.561 4.679 1.00 0.00 N ATOM 254 CA HIS A 18 53.510 4.408 4.851 1.00 0.00 C ATOM 255 C HIS A 18 54.204 4.088 6.166 1.00 0.00 C ATOM 256 O HIS A 18 53.600 3.505 7.069 1.00 0.00 O ATOM 257 CB HIS A 18 53.139 5.898 4.778 1.00 0.00 C ATOM 258 CG HIS A 18 52.052 6.323 5.718 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.744 6.479 5.322 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.083 6.642 7.033 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.020 6.878 6.348 1.00 0.00 C ATOM 262 NE2 HIS A 18 50.805 6.987 7.402 1.00 0.00 N ATOM 0 H HIS A 18 51.766 3.452 5.519 1.00 0.00 H new ATOM 0 HA HIS A 18 54.200 4.200 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 18 54.030 6.490 4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 18 52.830 6.131 3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 18 52.952 6.628 7.674 1.00 0.00 H new ATOM 0 HE1 HIS A 18 48.960 7.082 6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 18 50.513 7.278 8.335 1.00 0.00 H new ATOM 271 N ALA A 19 55.465 4.476 6.273 1.00 0.00 N ATOM 272 CA ALA A 19 56.260 4.160 7.447 1.00 0.00 C ATOM 273 C ALA A 19 56.348 5.348 8.391 1.00 0.00 C ATOM 274 O ALA A 19 56.064 6.485 8.011 1.00 0.00 O ATOM 275 CB ALA A 19 57.656 3.714 7.040 1.00 0.00 C ATOM 0 H ALA A 19 55.960 5.011 5.559 1.00 0.00 H new ATOM 0 HA ALA A 19 55.765 3.344 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.238 3.481 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.586 2.827 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.146 4.514 6.485 1.00 0.00 H new ATOM 281 N ARG A 20 56.733 5.070 9.619 1.00 0.00 N ATOM 282 CA ARG A 20 56.938 6.096 10.622 1.00 0.00 C ATOM 283 C ARG A 20 58.046 5.658 11.568 1.00 0.00 C ATOM 284 O ARG A 20 58.190 4.470 11.859 1.00 0.00 O ATOM 285 CB ARG A 20 55.645 6.335 11.414 1.00 0.00 C ATOM 286 CG ARG A 20 55.190 5.113 12.196 1.00 0.00 C ATOM 287 CD ARG A 20 53.885 5.341 12.937 1.00 0.00 C ATOM 288 NE ARG A 20 53.482 4.142 13.671 1.00 0.00 N ATOM 289 CZ ARG A 20 52.533 4.111 14.602 1.00 0.00 C ATOM 290 NH1 ARG A 20 51.833 5.203 14.891 1.00 0.00 N ATOM 291 NH2 ARG A 20 52.274 2.974 15.231 1.00 0.00 N ATOM 0 H ARG A 20 56.913 4.123 9.952 1.00 0.00 H new ATOM 0 HA ARG A 20 57.221 7.026 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.797 7.165 12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.854 6.634 10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 20 55.072 4.273 11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 20 55.965 4.836 12.911 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.997 6.175 13.630 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.104 5.618 12.229 1.00 0.00 H new ATOM 0 HE ARG A 20 53.962 3.269 13.454 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.022 6.075 14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.107 5.169 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 52.801 2.132 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.548 2.941 15.947 1.00 0.00 H new ATOM 305 N CYS A 21 58.850 6.596 12.024 1.00 0.00 N ATOM 306 CA CYS A 21 59.812 6.292 13.062 1.00 0.00 C ATOM 307 C CYS A 21 59.385 6.980 14.345 1.00 0.00 C ATOM 308 O CYS A 21 59.475 8.203 14.467 1.00 0.00 O ATOM 309 CB CYS A 21 61.229 6.710 12.666 1.00 0.00 C ATOM 310 SG CYS A 21 62.512 6.121 13.808 1.00 0.00 S ATOM 0 H CYS A 21 58.857 7.562 11.698 1.00 0.00 H new ATOM 0 HA CYS A 21 59.835 5.213 13.212 1.00 0.00 H new ATOM 0 HB2 CYS A 21 61.444 6.332 11.667 1.00 0.00 H new ATOM 0 HB3 CYS A 21 61.275 7.798 12.612 1.00 0.00 H new ATOM 315 N ARG A 22 58.912 6.180 15.289 1.00 0.00 N ATOM 316 CA ARG A 22 58.325 6.679 16.526 1.00 0.00 C ATOM 317 C ARG A 22 59.319 7.509 17.336 1.00 0.00 C ATOM 318 O ARG A 22 58.927 8.417 18.065 1.00 0.00 O ATOM 319 CB ARG A 22 57.813 5.505 17.357 1.00 0.00 C ATOM 320 CG ARG A 22 56.752 4.679 16.640 1.00 0.00 C ATOM 321 CD ARG A 22 56.415 3.412 17.405 1.00 0.00 C ATOM 322 NE ARG A 22 55.909 3.696 18.744 1.00 0.00 N ATOM 323 CZ ARG A 22 56.350 3.093 19.847 1.00 0.00 C ATOM 324 NH1 ARG A 22 57.300 2.170 19.768 1.00 0.00 N ATOM 325 NH2 ARG A 22 55.831 3.411 21.024 1.00 0.00 N ATOM 0 H ARG A 22 58.924 5.162 15.219 1.00 0.00 H new ATOM 0 HA ARG A 22 57.495 7.335 16.265 1.00 0.00 H new ATOM 0 HB2 ARG A 22 58.652 4.860 17.618 1.00 0.00 H new ATOM 0 HB3 ARG A 22 57.399 5.883 18.292 1.00 0.00 H new ATOM 0 HG2 ARG A 22 55.850 5.277 16.512 1.00 0.00 H new ATOM 0 HG3 ARG A 22 57.106 4.419 15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 22 55.670 2.842 16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 22 57.305 2.787 17.479 1.00 0.00 H new ATOM 0 HE ARG A 22 55.175 4.397 18.841 1.00 0.00 H new ATOM 0 HH11 ARG A 22 57.695 1.921 18.861 1.00 0.00 H new ATOM 0 HH12 ARG A 22 57.636 1.710 20.614 1.00 0.00 H new ATOM 0 HH21 ARG A 22 55.096 4.116 21.084 1.00 0.00 H new ATOM 0 HH22 ARG A 22 56.167 2.951 21.870 1.00 0.00 H new ATOM 339 N SER A 23 60.602 7.203 17.196 1.00 0.00 N ATOM 340 CA SER A 23 61.636 7.927 17.922 1.00 0.00 C ATOM 341 C SER A 23 62.005 9.228 17.196 1.00 0.00 C ATOM 342 O SER A 23 62.683 10.090 17.752 1.00 0.00 O ATOM 343 CB SER A 23 62.871 7.032 18.101 1.00 0.00 C ATOM 344 OG SER A 23 63.825 7.627 18.963 1.00 0.00 O ATOM 0 H SER A 23 60.950 6.461 16.589 1.00 0.00 H new ATOM 0 HA SER A 23 61.251 8.194 18.906 1.00 0.00 H new ATOM 0 HB2 SER A 23 62.566 6.067 18.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 63.327 6.841 17.129 1.00 0.00 H new ATOM 0 HG SER A 23 63.787 8.602 18.870 1.00 0.00 H new ATOM 350 N CYS A 24 61.557 9.361 15.952 1.00 0.00 N ATOM 351 CA CYS A 24 61.790 10.579 15.181 1.00 0.00 C ATOM 352 C CYS A 24 60.615 11.536 15.317 1.00 0.00 C ATOM 353 O CYS A 24 60.714 12.587 15.950 1.00 0.00 O ATOM 354 CB CYS A 24 61.995 10.268 13.694 1.00 0.00 C ATOM 355 SG CYS A 24 63.559 9.464 13.284 1.00 0.00 S ATOM 0 H CYS A 24 61.031 8.642 15.456 1.00 0.00 H new ATOM 0 HA CYS A 24 62.693 11.041 15.580 1.00 0.00 H new ATOM 0 HB2 CYS A 24 61.178 9.630 13.357 1.00 0.00 H new ATOM 0 HB3 CYS A 24 61.925 11.199 13.132 1.00 0.00 H new ATOM 360 N GLY A 25 59.494 11.131 14.742 1.00 0.00 N ATOM 361 CA GLY A 25 58.371 12.025 14.571 1.00 0.00 C ATOM 362 C GLY A 25 58.071 12.219 13.100 1.00 0.00 C ATOM 363 O GLY A 25 56.978 12.640 12.719 1.00 0.00 O ATOM 0 H GLY A 25 59.342 10.187 14.387 1.00 0.00 H new ATOM 0 HA2 GLY A 25 57.495 11.620 15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 25 58.590 12.987 15.034 1.00 0.00 H new ATOM 367 N GLU A 26 59.068 11.917 12.273 1.00 0.00 N ATOM 368 CA GLU A 26 58.921 11.964 10.828 1.00 0.00 C ATOM 369 C GLU A 26 58.136 10.763 10.325 1.00 0.00 C ATOM 370 O GLU A 26 58.339 9.631 10.782 1.00 0.00 O ATOM 371 CB GLU A 26 60.286 11.990 10.125 1.00 0.00 C ATOM 372 CG GLU A 26 61.132 13.221 10.419 1.00 0.00 C ATOM 373 CD GLU A 26 61.882 13.130 11.732 1.00 0.00 C ATOM 374 OE1 GLU A 26 61.311 13.503 12.776 1.00 0.00 O ATOM 375 OE2 GLU A 26 63.051 12.690 11.725 1.00 0.00 O ATOM 0 H GLU A 26 59.996 11.634 12.588 1.00 0.00 H new ATOM 0 HA GLU A 26 58.381 12.882 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 26 60.847 11.103 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 26 60.126 11.925 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.847 13.364 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 26 60.488 14.101 10.436 1.00 0.00 H new ATOM 382 N PHE A 27 57.243 11.020 9.388 1.00 0.00 N ATOM 383 CA PHE A 27 56.517 9.966 8.707 1.00 0.00 C ATOM 384 C PHE A 27 56.992 9.881 7.263 1.00 0.00 C ATOM 385 O PHE A 27 57.217 10.904 6.614 1.00 0.00 O ATOM 386 CB PHE A 27 55.002 10.200 8.787 1.00 0.00 C ATOM 387 CG PHE A 27 54.595 11.647 8.713 1.00 0.00 C ATOM 388 CD1 PHE A 27 54.467 12.290 7.494 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.340 12.362 9.874 1.00 0.00 C ATOM 390 CE1 PHE A 27 54.093 13.617 7.432 1.00 0.00 C ATOM 391 CE2 PHE A 27 53.966 13.690 9.818 1.00 0.00 C ATOM 392 CZ PHE A 27 53.842 14.319 8.595 1.00 0.00 C ATOM 0 H PHE A 27 57.001 11.961 9.079 1.00 0.00 H new ATOM 0 HA PHE A 27 56.718 9.015 9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.519 9.657 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 27 54.629 9.777 9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.662 11.747 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.435 11.874 10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.997 14.107 6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.771 14.236 10.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.549 15.358 8.548 1.00 0.00 H new ATOM 402 N ILE A 28 57.164 8.669 6.769 1.00 0.00 N ATOM 403 CA ILE A 28 57.759 8.458 5.461 1.00 0.00 C ATOM 404 C ILE A 28 56.757 7.838 4.499 1.00 0.00 C ATOM 405 O ILE A 28 56.215 6.763 4.762 1.00 0.00 O ATOM 406 CB ILE A 28 59.002 7.542 5.557 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.041 8.150 6.504 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.605 7.310 4.180 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.254 7.268 6.730 1.00 0.00 C ATOM 0 H ILE A 28 56.899 7.812 7.255 1.00 0.00 H new ATOM 0 HA ILE A 28 58.062 9.435 5.084 1.00 0.00 H new ATOM 0 HB ILE A 28 58.689 6.578 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 28 60.370 9.108 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 28 59.568 8.354 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.478 6.663 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.866 6.835 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 28 59.904 8.265 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 28 61.944 7.766 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 28 60.938 6.319 7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 28 61.753 7.084 5.778 1.00 0.00 H new ATOM 421 N GLU A 29 56.505 8.520 3.389 1.00 0.00 N ATOM 422 CA GLU A 29 55.653 7.969 2.348 1.00 0.00 C ATOM 423 C GLU A 29 56.368 6.837 1.629 1.00 0.00 C ATOM 424 O GLU A 29 57.467 7.018 1.099 1.00 0.00 O ATOM 425 CB GLU A 29 55.249 9.029 1.321 1.00 0.00 C ATOM 426 CG GLU A 29 54.304 10.089 1.850 1.00 0.00 C ATOM 427 CD GLU A 29 53.656 10.879 0.733 1.00 0.00 C ATOM 428 OE1 GLU A 29 54.351 11.700 0.094 1.00 0.00 O ATOM 429 OE2 GLU A 29 52.455 10.668 0.471 1.00 0.00 O ATOM 0 H GLU A 29 56.876 9.449 3.189 1.00 0.00 H new ATOM 0 HA GLU A 29 54.752 7.597 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 29 56.149 9.517 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 29 54.780 8.533 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 53.531 9.616 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 54.850 10.768 2.505 1.00 0.00 H new ATOM 436 N MET A 30 55.750 5.675 1.627 1.00 0.00 N ATOM 437 CA MET A 30 56.267 4.545 0.883 1.00 0.00 C ATOM 438 C MET A 30 55.335 4.260 -0.277 1.00 0.00 C ATOM 439 O MET A 30 54.118 4.194 -0.103 1.00 0.00 O ATOM 440 CB MET A 30 56.412 3.314 1.779 1.00 0.00 C ATOM 441 CG MET A 30 57.380 3.522 2.935 1.00 0.00 C ATOM 442 SD MET A 30 57.671 2.017 3.884 1.00 0.00 S ATOM 443 CE MET A 30 58.441 0.984 2.641 1.00 0.00 C ATOM 0 H MET A 30 54.885 5.487 2.134 1.00 0.00 H new ATOM 0 HA MET A 30 57.261 4.786 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.433 3.046 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.752 2.472 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.329 3.890 2.546 1.00 0.00 H new ATOM 0 HG3 MET A 30 56.987 4.293 3.597 1.00 0.00 H new ATOM 0 HE1 MET A 30 57.822 0.104 2.464 1.00 0.00 H new ATOM 0 HE2 MET A 30 58.545 1.547 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.426 0.671 2.987 1.00 0.00 H new ATOM 453 N LYS A 31 55.893 4.127 -1.464 1.00 0.00 N ATOM 454 CA LYS A 31 55.081 3.944 -2.649 1.00 0.00 C ATOM 455 C LYS A 31 54.994 2.477 -3.025 1.00 0.00 C ATOM 456 O LYS A 31 56.010 1.827 -3.284 1.00 0.00 O ATOM 457 CB LYS A 31 55.627 4.770 -3.815 1.00 0.00 C ATOM 458 CG LYS A 31 55.485 6.272 -3.608 1.00 0.00 C ATOM 459 CD LYS A 31 55.882 7.047 -4.852 1.00 0.00 C ATOM 460 CE LYS A 31 55.591 8.535 -4.710 1.00 0.00 C ATOM 461 NZ LYS A 31 56.445 9.177 -3.675 1.00 0.00 N ATOM 0 H LYS A 31 56.899 4.142 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 31 54.074 4.296 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.680 4.528 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 55.105 4.485 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 31 54.454 6.508 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 56.107 6.585 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.945 6.902 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 55.343 6.652 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.752 9.028 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.542 8.675 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 56.311 10.208 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.178 8.821 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 57.443 8.952 -3.860 1.00 0.00 H new ATOM 475 N ALA A 32 53.776 1.958 -3.019 1.00 0.00 N ATOM 476 CA ALA A 32 53.526 0.587 -3.419 1.00 0.00 C ATOM 477 C ALA A 32 53.530 0.475 -4.934 1.00 0.00 C ATOM 478 O ALA A 32 52.576 0.882 -5.602 1.00 0.00 O ATOM 479 CB ALA A 32 52.201 0.101 -2.849 1.00 0.00 C ATOM 0 H ALA A 32 52.941 2.472 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 32 54.321 -0.045 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.028 -0.930 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 32 52.232 0.153 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.393 0.731 -3.219 1.00 0.00 H new ATOM 485 N LEU A 33 54.619 -0.040 -5.473 1.00 0.00 N ATOM 486 CA LEU A 33 54.744 -0.224 -6.907 1.00 0.00 C ATOM 487 C LEU A 33 54.465 -1.671 -7.268 1.00 0.00 C ATOM 488 O LEU A 33 54.479 -2.554 -6.408 1.00 0.00 O ATOM 489 CB LEU A 33 56.151 0.145 -7.392 1.00 0.00 C ATOM 490 CG LEU A 33 56.676 1.520 -6.970 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.011 1.799 -7.641 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.679 2.619 -7.303 1.00 0.00 C ATOM 0 H LEU A 33 55.433 -0.340 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 33 54.020 0.431 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.847 -0.612 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.162 0.094 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 33 56.815 1.511 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 33 58.375 2.779 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.732 1.036 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 33 57.885 1.782 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.082 3.583 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.498 2.633 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.742 2.431 -6.779 1.00 0.00 H new ATOM 504 N CYS A 34 54.206 -1.910 -8.536 1.00 0.00 N ATOM 505 CA CYS A 34 54.064 -3.263 -9.036 1.00 0.00 C ATOM 506 C CYS A 34 55.421 -3.748 -9.531 1.00 0.00 C ATOM 507 O CYS A 34 55.950 -3.197 -10.482 1.00 0.00 O ATOM 508 CB CYS A 34 53.041 -3.291 -10.173 1.00 0.00 C ATOM 509 SG CYS A 34 52.666 -4.943 -10.802 1.00 0.00 S ATOM 0 H CYS A 34 54.089 -1.183 -9.242 1.00 0.00 H new ATOM 0 HA CYS A 34 53.712 -3.920 -8.240 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.117 -2.830 -9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.413 -2.679 -10.995 1.00 0.00 H new ATOM 514 N PRO A 35 55.997 -4.783 -8.899 1.00 0.00 N ATOM 515 CA PRO A 35 57.366 -5.245 -9.197 1.00 0.00 C ATOM 516 C PRO A 35 57.594 -5.534 -10.679 1.00 0.00 C ATOM 517 O PRO A 35 58.667 -5.263 -11.220 1.00 0.00 O ATOM 518 CB PRO A 35 57.494 -6.536 -8.387 1.00 0.00 C ATOM 519 CG PRO A 35 56.501 -6.397 -7.286 1.00 0.00 C ATOM 520 CD PRO A 35 55.361 -5.593 -7.847 1.00 0.00 C ATOM 0 HA PRO A 35 58.102 -4.482 -8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.282 -7.411 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 35 58.504 -6.658 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 35 56.158 -7.374 -6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 35 56.943 -5.897 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.579 -6.235 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.897 -4.968 -7.084 1.00 0.00 H new ATOM 528 N ASP A 36 56.570 -6.065 -11.332 1.00 0.00 N ATOM 529 CA ASP A 36 56.656 -6.439 -12.741 1.00 0.00 C ATOM 530 C ASP A 36 56.414 -5.241 -13.664 1.00 0.00 C ATOM 531 O ASP A 36 56.392 -5.383 -14.887 1.00 0.00 O ATOM 532 CB ASP A 36 55.646 -7.548 -13.050 1.00 0.00 C ATOM 533 CG ASP A 36 54.254 -7.216 -12.551 1.00 0.00 C ATOM 534 OD1 ASP A 36 53.673 -6.204 -13.000 1.00 0.00 O ATOM 535 OD2 ASP A 36 53.737 -7.939 -11.687 1.00 0.00 O ATOM 0 H ASP A 36 55.662 -6.249 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 36 57.667 -6.801 -12.926 1.00 0.00 H new ATOM 0 HB2 ASP A 36 55.613 -7.716 -14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.981 -8.479 -12.592 1.00 0.00 H new ATOM 540 N CYS A 37 56.221 -4.067 -13.079 1.00 0.00 N ATOM 541 CA CYS A 37 56.005 -2.849 -13.859 1.00 0.00 C ATOM 542 C CYS A 37 56.960 -1.741 -13.413 1.00 0.00 C ATOM 543 O CYS A 37 57.408 -0.930 -14.224 1.00 0.00 O ATOM 544 CB CYS A 37 54.559 -2.365 -13.697 1.00 0.00 C ATOM 545 SG CYS A 37 53.298 -3.605 -14.079 1.00 0.00 S ATOM 0 H CYS A 37 56.209 -3.929 -12.068 1.00 0.00 H new ATOM 0 HA CYS A 37 56.197 -3.082 -14.906 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.417 -2.026 -12.671 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.406 -1.500 -14.342 1.00 0.00 H new ATOM 550 N HIS A 38 57.240 -1.720 -12.110 1.00 0.00 N ATOM 551 CA HIS A 38 58.041 -0.683 -11.460 1.00 0.00 C ATOM 552 C HIS A 38 57.294 0.654 -11.483 1.00 0.00 C ATOM 553 O HIS A 38 57.864 1.713 -11.219 1.00 0.00 O ATOM 554 CB HIS A 38 59.430 -0.562 -12.099 1.00 0.00 C ATOM 555 CG HIS A 38 60.424 0.155 -11.235 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.671 -0.196 -9.925 1.00 0.00 N ATOM 557 CD2 HIS A 38 61.227 1.213 -11.494 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.581 0.612 -9.419 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.937 1.476 -10.349 1.00 0.00 N ATOM 0 H HIS A 38 56.910 -2.437 -11.464 1.00 0.00 H new ATOM 0 HA HIS A 38 58.195 -0.971 -10.420 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.807 -1.560 -12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.340 -0.036 -13.049 1.00 0.00 H new ATOM 0 HD1 HIS A 38 60.220 -0.962 -9.425 1.00 0.00 H new ATOM 0 HD2 HIS A 38 61.296 1.751 -12.428 1.00 0.00 H new ATOM 0 HE1 HIS A 38 61.970 0.573 -8.412 1.00 0.00 H new ATOM 568 N GLN A 39 56.004 0.585 -11.794 1.00 0.00 N ATOM 569 CA GLN A 39 55.135 1.747 -11.765 1.00 0.00 C ATOM 570 C GLN A 39 54.146 1.623 -10.609 1.00 0.00 C ATOM 571 O GLN A 39 53.871 0.509 -10.147 1.00 0.00 O ATOM 572 CB GLN A 39 54.413 1.880 -13.107 1.00 0.00 C ATOM 573 CG GLN A 39 55.368 2.150 -14.255 1.00 0.00 C ATOM 574 CD GLN A 39 54.701 2.102 -15.612 1.00 0.00 C ATOM 575 OE1 GLN A 39 53.515 2.400 -15.750 1.00 0.00 O ATOM 576 NE2 GLN A 39 55.463 1.723 -16.624 1.00 0.00 N ATOM 0 H GLN A 39 55.536 -0.278 -12.072 1.00 0.00 H new ATOM 0 HA GLN A 39 55.726 2.649 -11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 39 53.856 0.965 -13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.685 2.689 -13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 39 55.824 3.130 -14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 56.174 1.417 -14.228 1.00 0.00 H new ATOM 0 HE21 GLN A 39 56.442 1.485 -16.464 1.00 0.00 H new ATOM 0 HE22 GLN A 39 55.072 1.669 -17.565 1.00 0.00 H new ATOM 585 N PRO A 40 53.614 2.757 -10.119 1.00 0.00 N ATOM 586 CA PRO A 40 52.753 2.787 -8.928 1.00 0.00 C ATOM 587 C PRO A 40 51.452 2.009 -9.097 1.00 0.00 C ATOM 588 O PRO A 40 50.932 1.866 -10.206 1.00 0.00 O ATOM 589 CB PRO A 40 52.457 4.279 -8.731 1.00 0.00 C ATOM 590 CG PRO A 40 52.695 4.896 -10.064 1.00 0.00 C ATOM 591 CD PRO A 40 53.805 4.102 -10.687 1.00 0.00 C ATOM 0 HA PRO A 40 53.246 2.313 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.431 4.438 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 40 53.108 4.714 -7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 40 51.795 4.860 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 40 52.972 5.946 -9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 40 53.733 4.094 -11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.784 4.511 -10.435 1.00 0.00 H new ATOM 599 N LEU A 41 50.942 1.503 -7.983 1.00 0.00 N ATOM 600 CA LEU A 41 49.676 0.791 -7.969 1.00 0.00 C ATOM 601 C LEU A 41 48.523 1.751 -7.720 1.00 0.00 C ATOM 602 O LEU A 41 48.710 2.841 -7.174 1.00 0.00 O ATOM 603 CB LEU A 41 49.688 -0.294 -6.891 1.00 0.00 C ATOM 604 CG LEU A 41 50.631 -1.463 -7.159 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.695 -2.386 -5.954 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.180 -2.227 -8.391 1.00 0.00 C ATOM 0 H LEU A 41 51.392 1.575 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 41 49.538 0.323 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.962 0.163 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.676 -0.683 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 41 51.631 -1.068 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.373 -3.213 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.058 -1.831 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.700 -2.777 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 41 50.860 -3.059 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.172 -2.611 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.183 -1.561 -9.254 1.00 0.00 H new ATOM 618 N GLN A 42 47.338 1.337 -8.128 1.00 0.00 N ATOM 619 CA GLN A 42 46.133 2.114 -7.908 1.00 0.00 C ATOM 620 C GLN A 42 45.519 1.742 -6.565 1.00 0.00 C ATOM 621 O GLN A 42 45.344 0.558 -6.262 1.00 0.00 O ATOM 622 CB GLN A 42 45.135 1.860 -9.040 1.00 0.00 C ATOM 623 CG GLN A 42 43.840 2.645 -8.916 1.00 0.00 C ATOM 624 CD GLN A 42 42.879 2.350 -10.048 1.00 0.00 C ATOM 625 OE1 GLN A 42 43.294 2.043 -11.166 1.00 0.00 O ATOM 626 NE2 GLN A 42 41.589 2.441 -9.769 1.00 0.00 N ATOM 0 H GLN A 42 47.184 0.456 -8.619 1.00 0.00 H new ATOM 0 HA GLN A 42 46.385 3.174 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.609 2.109 -9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.900 0.796 -9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.363 2.406 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 42 44.064 3.712 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 42 41.287 2.698 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 42 40.896 2.254 -10.494 1.00 0.00 H new ATOM 635 N VAL A 43 45.205 2.748 -5.765 1.00 0.00 N ATOM 636 CA VAL A 43 44.634 2.528 -4.445 1.00 0.00 C ATOM 637 C VAL A 43 43.148 2.218 -4.562 1.00 0.00 C ATOM 638 O VAL A 43 42.368 3.040 -5.040 1.00 0.00 O ATOM 639 CB VAL A 43 44.835 3.753 -3.529 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.266 3.494 -2.140 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.308 4.122 -3.444 1.00 0.00 C ATOM 0 H VAL A 43 45.337 3.730 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 43 45.153 1.680 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 43 44.294 4.593 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.421 4.373 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.199 3.286 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.771 2.637 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.429 4.988 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.871 3.282 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.681 4.361 -4.440 1.00 0.00 H new ATOM 651 N LEU A 44 42.761 1.024 -4.143 1.00 0.00 N ATOM 652 CA LEU A 44 41.373 0.605 -4.234 1.00 0.00 C ATOM 653 C LEU A 44 40.648 0.814 -2.913 1.00 0.00 C ATOM 654 O LEU A 44 40.904 0.111 -1.934 1.00 0.00 O ATOM 655 CB LEU A 44 41.273 -0.868 -4.635 1.00 0.00 C ATOM 656 CG LEU A 44 41.877 -1.229 -5.992 1.00 0.00 C ATOM 657 CD1 LEU A 44 41.687 -2.713 -6.269 1.00 0.00 C ATOM 658 CD2 LEU A 44 41.255 -0.390 -7.099 1.00 0.00 C ATOM 0 H LEU A 44 43.388 0.329 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 44 40.900 1.220 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.764 -1.468 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 44 40.221 -1.154 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 44 42.945 -1.013 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 44 42.120 -2.961 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 44 42.181 -3.295 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.623 -2.948 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.699 -0.663 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.181 -0.571 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.439 0.666 -6.902 1.00 0.00 H new ATOM 670 N LYS A 45 39.758 1.791 -2.887 1.00 0.00 N ATOM 671 CA LYS A 45 38.871 1.979 -1.752 1.00 0.00 C ATOM 672 C LYS A 45 37.492 1.450 -2.117 1.00 0.00 C ATOM 673 O LYS A 45 36.662 2.173 -2.669 1.00 0.00 O ATOM 674 CB LYS A 45 38.782 3.455 -1.356 1.00 0.00 C ATOM 675 CG LYS A 45 37.868 3.711 -0.168 1.00 0.00 C ATOM 676 CD LYS A 45 37.673 5.199 0.075 1.00 0.00 C ATOM 677 CE LYS A 45 36.757 5.461 1.261 1.00 0.00 C ATOM 678 NZ LYS A 45 35.390 4.906 1.052 1.00 0.00 N ATOM 0 H LYS A 45 39.630 2.467 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 45 39.268 1.433 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 45 39.782 3.821 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 45 38.425 4.031 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 36.901 3.240 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 38.290 3.248 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 45 38.641 5.669 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 45 37.253 5.661 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 37.192 5.021 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 45 36.688 6.535 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 34.749 5.278 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 35.042 5.184 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 35.423 3.868 1.116 1.00 0.00 H new ATOM 692 N ALA A 46 37.256 0.181 -1.830 1.00 0.00 N ATOM 693 CA ALA A 46 36.032 -0.467 -2.266 1.00 0.00 C ATOM 694 C ALA A 46 35.116 -0.711 -1.081 1.00 0.00 C ATOM 695 O ALA A 46 34.198 0.069 -0.818 1.00 0.00 O ATOM 696 CB ALA A 46 36.358 -1.769 -2.980 1.00 0.00 C ATOM 0 H ALA A 46 37.891 -0.417 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 46 35.512 0.187 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 35.434 -2.248 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 36.982 -1.561 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.892 -2.433 -2.300 1.00 0.00 H new ATOM 702 N CYS A 47 35.388 -1.782 -0.358 1.00 0.00 N ATOM 703 CA CYS A 47 34.683 -2.078 0.873 1.00 0.00 C ATOM 704 C CYS A 47 35.387 -1.350 2.018 1.00 0.00 C ATOM 705 O CYS A 47 35.983 -0.290 1.811 1.00 0.00 O ATOM 706 CB CYS A 47 34.688 -3.590 1.110 1.00 0.00 C ATOM 707 SG CYS A 47 34.148 -4.567 -0.316 1.00 0.00 S ATOM 0 H CYS A 47 36.101 -2.468 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 47 33.647 -1.743 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 47 35.696 -3.900 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 47 34.040 -3.816 1.957 1.00 0.00 H new ATOM 0 HG CYS A 47 34.189 -5.831 -0.017 1.00 0.00 H new ATOM 713 N GLY A 48 35.343 -1.917 3.214 1.00 0.00 N ATOM 714 CA GLY A 48 36.123 -1.375 4.313 1.00 0.00 C ATOM 715 C GLY A 48 37.570 -1.826 4.236 1.00 0.00 C ATOM 716 O GLY A 48 38.296 -1.811 5.231 1.00 0.00 O ATOM 0 H GLY A 48 34.785 -2.739 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.077 -0.286 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 48 35.690 -1.694 5.261 1.00 0.00 H new ATOM 720 N ALA A 49 37.988 -2.225 3.040 1.00 0.00 N ATOM 721 CA ALA A 49 39.319 -2.754 2.828 1.00 0.00 C ATOM 722 C ALA A 49 40.006 -2.009 1.699 1.00 0.00 C ATOM 723 O ALA A 49 39.404 -1.765 0.650 1.00 0.00 O ATOM 724 CB ALA A 49 39.255 -4.245 2.522 1.00 0.00 C ATOM 0 H ALA A 49 37.413 -2.189 2.198 1.00 0.00 H new ATOM 0 HA ALA A 49 39.900 -2.614 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 49 40.263 -4.628 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 49 38.794 -4.769 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 49 38.661 -4.407 1.622 1.00 0.00 H new ATOM 730 N VAL A 50 41.255 -1.638 1.922 1.00 0.00 N ATOM 731 CA VAL A 50 42.046 -0.976 0.900 1.00 0.00 C ATOM 732 C VAL A 50 42.864 -2.013 0.144 1.00 0.00 C ATOM 733 O VAL A 50 43.537 -2.849 0.755 1.00 0.00 O ATOM 734 CB VAL A 50 42.988 0.086 1.508 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.792 0.784 0.421 1.00 0.00 C ATOM 736 CG2 VAL A 50 42.197 1.100 2.322 1.00 0.00 C ATOM 0 H VAL A 50 41.744 -1.785 2.805 1.00 0.00 H new ATOM 0 HA VAL A 50 41.363 -0.467 0.220 1.00 0.00 H new ATOM 0 HB VAL A 50 43.686 -0.422 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 50 44.448 1.527 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 50 44.392 0.050 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.113 1.276 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 50 42.878 1.840 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 41.473 1.598 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 41.673 0.589 3.130 1.00 0.00 H new ATOM 746 N ASP A 51 42.791 -1.976 -1.174 1.00 0.00 N ATOM 747 CA ASP A 51 43.498 -2.951 -1.992 1.00 0.00 C ATOM 748 C ASP A 51 44.341 -2.248 -3.048 1.00 0.00 C ATOM 749 O ASP A 51 44.386 -1.017 -3.088 1.00 0.00 O ATOM 750 CB ASP A 51 42.508 -3.911 -2.647 1.00 0.00 C ATOM 751 CG ASP A 51 43.025 -5.331 -2.662 1.00 0.00 C ATOM 752 OD1 ASP A 51 43.852 -5.661 -3.531 1.00 0.00 O ATOM 753 OD2 ASP A 51 42.625 -6.122 -1.780 1.00 0.00 O ATOM 0 H ASP A 51 42.254 -1.287 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 51 44.164 -3.527 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.560 -3.876 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.309 -3.586 -3.668 1.00 0.00 H new ATOM 758 N TYR A 52 44.996 -3.023 -3.905 1.00 0.00 N ATOM 759 CA TYR A 52 45.914 -2.461 -4.890 1.00 0.00 C ATOM 760 C TYR A 52 45.640 -3.020 -6.280 1.00 0.00 C ATOM 761 O TYR A 52 45.607 -4.236 -6.476 1.00 0.00 O ATOM 762 CB TYR A 52 47.366 -2.752 -4.502 1.00 0.00 C ATOM 763 CG TYR A 52 47.769 -2.193 -3.158 1.00 0.00 C ATOM 764 CD1 TYR A 52 48.018 -0.837 -2.992 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.905 -3.026 -2.055 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.394 -0.326 -1.766 1.00 0.00 C ATOM 767 CE2 TYR A 52 48.280 -2.523 -0.824 1.00 0.00 C ATOM 768 CZ TYR A 52 48.523 -1.173 -0.685 1.00 0.00 C ATOM 769 OH TYR A 52 48.898 -0.669 0.538 1.00 0.00 O ATOM 0 H TYR A 52 44.909 -4.039 -3.938 1.00 0.00 H new ATOM 0 HA TYR A 52 45.755 -1.383 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.520 -3.831 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.025 -2.341 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 52 47.916 -0.171 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.715 -4.084 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 52 48.586 0.731 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 52 48.382 -3.183 0.024 1.00 0.00 H new ATOM 0 HH TYR A 52 48.941 -1.397 1.193 1.00 0.00 H new ATOM 779 N PHE A 53 45.447 -2.128 -7.240 1.00 0.00 N ATOM 780 CA PHE A 53 45.197 -2.530 -8.617 1.00 0.00 C ATOM 781 C PHE A 53 46.378 -2.156 -9.506 1.00 0.00 C ATOM 782 O PHE A 53 46.891 -1.040 -9.437 1.00 0.00 O ATOM 783 CB PHE A 53 43.920 -1.863 -9.138 1.00 0.00 C ATOM 784 CG PHE A 53 43.516 -2.305 -10.518 1.00 0.00 C ATOM 785 CD1 PHE A 53 42.926 -3.541 -10.716 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.726 -1.482 -11.614 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.553 -3.951 -11.982 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.355 -1.888 -12.882 1.00 0.00 C ATOM 789 CZ PHE A 53 42.767 -3.123 -13.066 1.00 0.00 C ATOM 0 H PHE A 53 45.459 -1.119 -7.091 1.00 0.00 H new ATOM 0 HA PHE A 53 45.070 -3.612 -8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.104 -2.075 -8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 53 44.063 -0.782 -9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.755 -4.193 -9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 53 44.184 -0.514 -11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.094 -4.919 -12.123 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.525 -1.239 -13.728 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.475 -3.441 -14.056 1.00 0.00 H new ATOM 799 N CYS A 54 46.813 -3.092 -10.335 1.00 0.00 N ATOM 800 CA CYS A 54 47.872 -2.826 -11.288 1.00 0.00 C ATOM 801 C CYS A 54 47.282 -2.229 -12.553 1.00 0.00 C ATOM 802 O CYS A 54 46.903 -2.960 -13.478 1.00 0.00 O ATOM 803 CB CYS A 54 48.635 -4.119 -11.617 1.00 0.00 C ATOM 804 SG CYS A 54 49.945 -3.950 -12.866 1.00 0.00 S ATOM 0 H CYS A 54 46.446 -4.043 -10.365 1.00 0.00 H new ATOM 0 HA CYS A 54 48.573 -2.116 -10.850 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.079 -4.504 -10.699 1.00 0.00 H new ATOM 0 HB3 CYS A 54 47.920 -4.866 -11.963 1.00 0.00 H new ATOM 809 N GLN A 55 47.169 -0.907 -12.583 1.00 0.00 N ATOM 810 CA GLN A 55 46.677 -0.225 -13.765 1.00 0.00 C ATOM 811 C GLN A 55 47.752 -0.262 -14.838 1.00 0.00 C ATOM 812 O GLN A 55 48.663 0.570 -14.860 1.00 0.00 O ATOM 813 CB GLN A 55 46.268 1.217 -13.448 1.00 0.00 C ATOM 814 CG GLN A 55 45.641 1.943 -14.631 1.00 0.00 C ATOM 815 CD GLN A 55 45.233 3.371 -14.310 1.00 0.00 C ATOM 816 OE1 GLN A 55 45.260 4.242 -15.177 1.00 0.00 O ATOM 817 NE2 GLN A 55 44.825 3.618 -13.072 1.00 0.00 N ATOM 0 H GLN A 55 47.411 -0.292 -11.806 1.00 0.00 H new ATOM 0 HA GLN A 55 45.785 -0.736 -14.126 1.00 0.00 H new ATOM 0 HB2 GLN A 55 45.561 1.212 -12.618 1.00 0.00 H new ATOM 0 HB3 GLN A 55 47.146 1.771 -13.115 1.00 0.00 H new ATOM 0 HG2 GLN A 55 46.349 1.952 -15.460 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.765 1.388 -14.966 1.00 0.00 H new ATOM 0 HE21 GLN A 55 44.816 2.870 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 55 44.520 4.556 -12.813 1.00 0.00 H new ATOM 826 N HIS A 56 47.637 -1.261 -15.701 1.00 0.00 N ATOM 827 CA HIS A 56 48.628 -1.539 -16.730 1.00 0.00 C ATOM 828 C HIS A 56 48.244 -2.838 -17.424 1.00 0.00 C ATOM 829 O HIS A 56 48.490 -3.020 -18.614 1.00 0.00 O ATOM 830 CB HIS A 56 50.036 -1.671 -16.130 1.00 0.00 C ATOM 831 CG HIS A 56 51.138 -1.311 -17.080 1.00 0.00 C ATOM 832 ND1 HIS A 56 51.193 -1.761 -18.381 1.00 0.00 N ATOM 833 CD2 HIS A 56 52.228 -0.520 -16.913 1.00 0.00 C ATOM 834 CE1 HIS A 56 52.260 -1.259 -18.973 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.907 -0.501 -18.107 1.00 0.00 N ATOM 0 H HIS A 56 46.847 -1.906 -15.707 1.00 0.00 H new ATOM 0 HA HIS A 56 48.646 -0.712 -17.439 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.106 -1.033 -15.249 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.182 -2.697 -15.792 1.00 0.00 H new ATOM 0 HD1 HIS A 56 50.515 -2.385 -18.818 1.00 0.00 H new ATOM 0 HD2 HIS A 56 52.510 -0.001 -16.009 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.555 -1.438 -19.996 1.00 0.00 H new ATOM 844 N GLY A 57 47.639 -3.743 -16.653 1.00 0.00 N ATOM 845 CA GLY A 57 47.150 -4.988 -17.215 1.00 0.00 C ATOM 846 C GLY A 57 47.577 -6.217 -16.428 1.00 0.00 C ATOM 847 O GLY A 57 48.007 -7.208 -17.012 1.00 0.00 O ATOM 0 H GLY A 57 47.481 -3.634 -15.651 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.061 -4.955 -17.259 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.508 -5.080 -18.240 1.00 0.00 H new ATOM 851 N HIS A 58 47.465 -6.167 -15.102 1.00 0.00 N ATOM 852 CA HIS A 58 47.802 -7.332 -14.273 1.00 0.00 C ATOM 853 C HIS A 58 46.711 -7.637 -13.253 1.00 0.00 C ATOM 854 O HIS A 58 46.759 -8.664 -12.580 1.00 0.00 O ATOM 855 CB HIS A 58 49.143 -7.139 -13.548 1.00 0.00 C ATOM 856 CG HIS A 58 50.335 -7.163 -14.456 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.371 -6.239 -14.381 1.00 0.00 N ATOM 858 CD2 HIS A 58 50.648 -8.000 -15.475 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.260 -6.526 -15.335 1.00 0.00 C ATOM 860 NE2 HIS A 58 51.843 -7.580 -16.000 1.00 0.00 N ATOM 0 H HIS A 58 47.149 -5.349 -14.581 1.00 0.00 H new ATOM 0 HA HIS A 58 47.887 -8.180 -14.953 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.123 -6.188 -13.016 1.00 0.00 H new ATOM 0 HB3 HIS A 58 49.255 -7.922 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.063 -8.843 -15.812 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.172 -5.981 -15.528 1.00 0.00 H new ATOM 0 HE2 HIS A 58 52.331 -8.016 -16.782 1.00 0.00 H new ATOM 868 N GLY A 59 45.727 -6.754 -13.143 1.00 0.00 N ATOM 869 CA GLY A 59 44.674 -6.950 -12.168 1.00 0.00 C ATOM 870 C GLY A 59 45.120 -6.538 -10.781 1.00 0.00 C ATOM 871 O GLY A 59 46.015 -5.704 -10.644 1.00 0.00 O ATOM 0 H GLY A 59 45.640 -5.910 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 59 43.797 -6.371 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 44.375 -7.998 -12.159 1.00 0.00 H new ATOM 875 N LEU A 60 44.513 -7.119 -9.758 1.00 0.00 N ATOM 876 CA LEU A 60 44.867 -6.798 -8.381 1.00 0.00 C ATOM 877 C LEU A 60 46.197 -7.446 -8.008 1.00 0.00 C ATOM 878 O LEU A 60 46.482 -8.582 -8.401 1.00 0.00 O ATOM 879 CB LEU A 60 43.768 -7.237 -7.402 1.00 0.00 C ATOM 880 CG LEU A 60 42.505 -6.362 -7.386 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.694 -6.536 -8.661 1.00 0.00 C ATOM 882 CD2 LEU A 60 41.655 -6.679 -6.167 1.00 0.00 C ATOM 0 H LEU A 60 43.773 -7.815 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 60 44.968 -5.715 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.477 -8.259 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.188 -7.255 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 60 42.821 -5.320 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.807 -5.903 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 60 42.301 -6.251 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.391 -7.578 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.764 -6.051 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 41.359 -7.728 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 60 42.231 -6.486 -5.262 1.00 0.00 H new ATOM 894 N ILE A 61 47.011 -6.720 -7.256 1.00 0.00 N ATOM 895 CA ILE A 61 48.347 -7.181 -6.911 1.00 0.00 C ATOM 896 C ILE A 61 48.395 -7.725 -5.485 1.00 0.00 C ATOM 897 O ILE A 61 47.777 -7.175 -4.574 1.00 0.00 O ATOM 898 CB ILE A 61 49.388 -6.050 -7.091 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.518 -5.695 -8.573 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.747 -6.438 -6.521 1.00 0.00 C ATOM 901 CD1 ILE A 61 49.976 -6.850 -9.440 1.00 0.00 C ATOM 0 H ILE A 61 46.768 -5.807 -6.872 1.00 0.00 H new ATOM 0 HA ILE A 61 48.599 -7.993 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 61 49.036 -5.179 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.555 -5.339 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.224 -4.871 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.450 -5.618 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.649 -6.647 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.116 -7.327 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.045 -6.522 -10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 61 50.954 -7.193 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.259 -7.668 -9.365 1.00 0.00 H new ATOM 913 N SER A 62 49.117 -8.825 -5.318 1.00 0.00 N ATOM 914 CA SER A 62 49.280 -9.464 -4.023 1.00 0.00 C ATOM 915 C SER A 62 50.127 -8.585 -3.100 1.00 0.00 C ATOM 916 O SER A 62 51.043 -7.904 -3.554 1.00 0.00 O ATOM 917 CB SER A 62 49.958 -10.817 -4.227 1.00 0.00 C ATOM 918 OG SER A 62 49.672 -11.331 -5.522 1.00 0.00 O ATOM 0 H SER A 62 49.606 -9.298 -6.078 1.00 0.00 H new ATOM 0 HA SER A 62 48.304 -9.605 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 62 51.036 -10.712 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 62 49.615 -11.520 -3.467 1.00 0.00 H new ATOM 0 HG SER A 62 50.116 -12.197 -5.635 1.00 0.00 H new ATOM 924 N LYS A 63 49.841 -8.625 -1.806 1.00 0.00 N ATOM 925 CA LYS A 63 50.549 -7.781 -0.848 1.00 0.00 C ATOM 926 C LYS A 63 51.916 -8.373 -0.518 1.00 0.00 C ATOM 927 O LYS A 63 52.788 -7.690 0.016 1.00 0.00 O ATOM 928 CB LYS A 63 49.730 -7.580 0.434 1.00 0.00 C ATOM 929 CG LYS A 63 48.479 -6.727 0.246 1.00 0.00 C ATOM 930 CD LYS A 63 47.360 -7.497 -0.438 1.00 0.00 C ATOM 931 CE LYS A 63 46.165 -6.603 -0.734 1.00 0.00 C ATOM 932 NZ LYS A 63 44.998 -7.386 -1.225 1.00 0.00 N ATOM 0 H LYS A 63 49.128 -9.228 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 63 50.693 -6.804 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 49.437 -8.556 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 50.364 -7.115 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 63 48.133 -6.372 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 63 48.727 -5.846 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 47.730 -7.930 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.047 -8.326 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.885 -6.060 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.444 -5.859 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 44.130 -6.824 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 45.132 -7.616 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.915 -8.266 -0.677 1.00 0.00 H new ATOM 946 N LYS A 64 52.092 -9.648 -0.831 1.00 0.00 N ATOM 947 CA LYS A 64 53.398 -10.288 -0.701 1.00 0.00 C ATOM 948 C LYS A 64 54.188 -10.131 -1.996 1.00 0.00 C ATOM 949 O LYS A 64 55.350 -10.526 -2.086 1.00 0.00 O ATOM 950 CB LYS A 64 53.242 -11.779 -0.376 1.00 0.00 C ATOM 951 CG LYS A 64 52.476 -12.549 -1.439 1.00 0.00 C ATOM 952 CD LYS A 64 52.605 -14.053 -1.258 1.00 0.00 C ATOM 953 CE LYS A 64 52.022 -14.525 0.064 1.00 0.00 C ATOM 954 NZ LYS A 64 52.028 -16.008 0.166 1.00 0.00 N ATOM 0 H LYS A 64 51.352 -10.260 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 64 53.935 -9.804 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 54.230 -12.223 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 64 52.728 -11.884 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 64 51.423 -12.269 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 64 52.846 -12.270 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 64 52.098 -14.561 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 64 53.657 -14.335 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 64 52.596 -14.101 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 64 51.001 -14.157 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 51.623 -16.295 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 51.460 -16.411 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 53.005 -16.357 0.095 1.00 0.00 H new ATOM 968 N ARG A 65 53.539 -9.552 -3.000 1.00 0.00 N ATOM 969 CA ARG A 65 54.128 -9.416 -4.322 1.00 0.00 C ATOM 970 C ARG A 65 54.123 -7.944 -4.739 1.00 0.00 C ATOM 971 O ARG A 65 53.992 -7.606 -5.911 1.00 0.00 O ATOM 972 CB ARG A 65 53.340 -10.276 -5.323 1.00 0.00 C ATOM 973 CG ARG A 65 53.983 -10.380 -6.698 1.00 0.00 C ATOM 974 CD ARG A 65 53.252 -11.375 -7.586 1.00 0.00 C ATOM 975 NE ARG A 65 51.831 -11.053 -7.744 1.00 0.00 N ATOM 976 CZ ARG A 65 51.214 -10.974 -8.926 1.00 0.00 C ATOM 977 NH1 ARG A 65 51.904 -11.150 -10.046 1.00 0.00 N ATOM 978 NH2 ARG A 65 49.912 -10.715 -8.988 1.00 0.00 N ATOM 0 H ARG A 65 52.598 -9.167 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 65 55.161 -9.763 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 65 53.225 -11.279 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 65 52.339 -9.860 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 65 53.985 -9.400 -7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 65 55.024 -10.684 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.727 -11.398 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 65 53.349 -12.374 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 65 51.281 -10.879 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 65 52.904 -11.345 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 65 51.434 -11.090 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 65 49.378 -10.575 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 49.446 -10.656 -9.894 1.00 0.00 H new ATOM 992 N VAL A 66 54.266 -7.071 -3.754 1.00 0.00 N ATOM 993 CA VAL A 66 54.297 -5.638 -4.003 1.00 0.00 C ATOM 994 C VAL A 66 55.730 -5.110 -3.865 1.00 0.00 C ATOM 995 O VAL A 66 56.536 -5.669 -3.119 1.00 0.00 O ATOM 996 CB VAL A 66 53.353 -4.886 -3.034 1.00 0.00 C ATOM 997 CG1 VAL A 66 53.826 -5.020 -1.599 1.00 0.00 C ATOM 998 CG2 VAL A 66 53.220 -3.421 -3.423 1.00 0.00 C ATOM 0 H VAL A 66 54.363 -7.331 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 66 53.949 -5.460 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 66 52.367 -5.345 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 66 53.145 -4.482 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.846 -6.073 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.828 -4.601 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 52.551 -2.918 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.200 -2.946 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 66 52.813 -3.348 -4.432 1.00 0.00 H new ATOM 1008 N GLU A 67 56.046 -4.061 -4.604 1.00 0.00 N ATOM 1009 CA GLU A 67 57.368 -3.456 -4.551 1.00 0.00 C ATOM 1010 C GLU A 67 57.314 -2.142 -3.781 1.00 0.00 C ATOM 1011 O GLU A 67 56.854 -1.125 -4.301 1.00 0.00 O ATOM 1012 CB GLU A 67 57.899 -3.239 -5.974 1.00 0.00 C ATOM 1013 CG GLU A 67 59.296 -2.644 -6.039 1.00 0.00 C ATOM 1014 CD GLU A 67 59.868 -2.674 -7.443 1.00 0.00 C ATOM 1015 OE1 GLU A 67 59.468 -1.839 -8.278 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.717 -3.548 -7.718 1.00 0.00 O ATOM 0 H GLU A 67 55.402 -3.607 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 67 58.050 -4.126 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.900 -4.195 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.212 -2.583 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.267 -1.614 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.955 -3.195 -5.368 1.00 0.00 H new ATOM 1023 N PHE A 68 57.751 -2.170 -2.533 1.00 0.00 N ATOM 1024 CA PHE A 68 57.750 -0.978 -1.698 1.00 0.00 C ATOM 1025 C PHE A 68 59.028 -0.178 -1.885 1.00 0.00 C ATOM 1026 O PHE A 68 60.115 -0.629 -1.512 1.00 0.00 O ATOM 1027 CB PHE A 68 57.588 -1.334 -0.218 1.00 0.00 C ATOM 1028 CG PHE A 68 56.200 -1.752 0.171 1.00 0.00 C ATOM 1029 CD1 PHE A 68 55.109 -0.956 -0.143 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.987 -2.934 0.862 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.832 -1.333 0.224 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.713 -3.314 1.233 1.00 0.00 C ATOM 1033 CZ PHE A 68 53.633 -2.514 0.913 1.00 0.00 C ATOM 0 H PHE A 68 58.112 -3.006 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 68 56.900 -0.371 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 68 58.279 -2.140 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.877 -0.473 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 55.259 -0.031 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.827 -3.565 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.990 -0.705 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 68 54.560 -4.237 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 68 52.635 -2.811 1.201 1.00 0.00 H new ATOM 1043 N VAL A 69 58.902 1.001 -2.469 1.00 0.00 N ATOM 1044 CA VAL A 69 60.036 1.895 -2.614 1.00 0.00 C ATOM 1045 C VAL A 69 59.909 3.071 -1.659 1.00 0.00 C ATOM 1046 O VAL A 69 58.800 3.537 -1.368 1.00 0.00 O ATOM 1047 CB VAL A 69 60.194 2.416 -4.059 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.477 1.266 -5.014 1.00 0.00 C ATOM 1049 CG2 VAL A 69 58.961 3.192 -4.498 1.00 0.00 C ATOM 0 H VAL A 69 58.027 1.361 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 69 60.927 1.316 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 69 61.044 3.098 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.585 1.653 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.398 0.764 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.651 0.556 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.099 3.547 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.087 2.542 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.812 4.044 -3.834 1.00 0.00 H new ATOM 1059 N LEU A 70 61.039 3.537 -1.161 1.00 0.00 N ATOM 1060 CA LEU A 70 61.061 4.659 -0.243 1.00 0.00 C ATOM 1061 C LEU A 70 61.102 5.951 -1.051 1.00 0.00 C ATOM 1062 O LEU A 70 61.993 6.142 -1.877 1.00 0.00 O ATOM 1063 CB LEU A 70 62.273 4.545 0.695 1.00 0.00 C ATOM 1064 CG LEU A 70 62.182 5.321 2.017 1.00 0.00 C ATOM 1065 CD1 LEU A 70 63.270 4.858 2.972 1.00 0.00 C ATOM 1066 CD2 LEU A 70 62.296 6.818 1.785 1.00 0.00 C ATOM 0 H LEU A 70 61.958 3.153 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 70 60.164 4.660 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.429 3.491 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 70 63.157 4.888 0.157 1.00 0.00 H new ATOM 0 HG LEU A 70 61.206 5.120 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 70 63.196 5.415 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 70 63.148 3.794 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 70 64.247 5.033 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 62.228 7.340 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 70 63.254 7.042 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 70 61.487 7.148 1.133 1.00 0.00 H new ATOM 1078 N ALA A 71 60.119 6.815 -0.829 1.00 0.00 N ATOM 1079 CA ALA A 71 60.026 8.069 -1.563 1.00 0.00 C ATOM 1080 C ALA A 71 61.166 9.001 -1.187 1.00 0.00 C ATOM 1081 O ALA A 71 61.064 9.678 -0.143 1.00 0.00 O ATOM 1082 CB ALA A 71 58.685 8.735 -1.303 1.00 0.00 C ATOM 1083 OXT ALA A 71 62.163 9.052 -1.933 1.00 0.00 O ATOM 0 H ALA A 71 59.375 6.669 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 71 60.105 7.849 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 58.630 9.671 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.881 8.073 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 71 58.580 8.939 -0.237 1.00 0.00 H new TER 1089 ALA A 71 HETATM 1090 ZN ZN A 150 64.557 7.475 13.626 1.00 0.00 ZN HETATM 1091 ZN ZN A 200 52.117 -5.064 -12.933 1.00 0.00 ZN