USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 763 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 SER OG : rot 111:sc= 0.706 USER MOD Set 1.2: A 109 GLN : amide:sc= -4.12! C(o=-3.1!,f=-7!) USER MOD Set 1.3: A 118 GLN : amide:sc= 0.312 K(o=-3.1,f=-4.9!) USER MOD Set 2.1: A 86 LYS NZ :NH3+ -121:sc= -0.215 (180deg=-0.328) USER MOD Set 2.2: A 87 GLN : amide:sc= -0.0183 X(o=-0.23,f=-0.007) USER MOD Single : A 31 MET CE :methyl -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.2) USER MOD Single : A 36 ASN : amide:sc= -0.869 K(o=-0.87,f=-0.04) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -157:sc= -0.0644 (180deg=-0.626) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.025 (180deg=-0.302) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -107:sc= -1.03 USER MOD Single : A 54 TYR OH : rot -121:sc= -0.274 USER MOD Single : A 55 SER OG : rot 140:sc= -0.981 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.1!) USER MOD Single : A 60 SER OG : rot 61:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -107:sc= 0.147 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -51:sc= 0.389 USER MOD Single : A 84 GLN : amide:sc=-0.00538 K(o=-0.0054,f=-1.8!) USER MOD Single : A 88 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-1.2) USER MOD Single : A 90 SER OG : rot 40:sc= -2.06 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.98! C(o=-3!,f=-5.5!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.62! C(o=-1.6!,f=-12!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-1) USER MOD Single : A 122 HIS : no HD1:sc= -2.69! K(o=-2.7!,f=-2.1) USER MOD Single : A 123 SER OG : rot 85:sc= 0.46 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A 126 ASN : amide:sc= -4.07! K(o=-4.1!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -5.227 15.907 -9.149 1.00 0.00 N ATOM 2 CA MET A 31 -5.171 17.302 -8.628 1.00 0.00 C ATOM 3 C MET A 31 -3.821 17.918 -8.979 1.00 0.00 C ATOM 4 O MET A 31 -2.912 17.954 -8.151 1.00 0.00 O ATOM 5 CB MET A 31 -5.357 17.282 -7.111 1.00 0.00 C ATOM 6 CG MET A 31 -6.747 16.733 -6.774 1.00 0.00 C ATOM 7 SD MET A 31 -8.022 17.873 -7.369 1.00 0.00 S ATOM 8 CE MET A 31 -8.017 18.995 -5.947 1.00 0.00 C ATOM 0 HA MET A 31 -5.964 17.898 -9.079 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.588 16.664 -6.648 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.244 18.288 -6.707 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.881 15.753 -7.232 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.842 16.597 -5.697 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.806 19.737 -6.066 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.189 18.426 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.052 19.498 -5.884 1.00 0.00 H new ATOM 18 N GLY A 32 -3.699 18.402 -10.211 1.00 0.00 N ATOM 19 CA GLY A 32 -2.454 19.012 -10.658 1.00 0.00 C ATOM 20 C GLY A 32 -2.343 20.446 -10.154 1.00 0.00 C ATOM 21 O GLY A 32 -3.243 21.261 -10.363 1.00 0.00 O ATOM 0 H GLY A 32 -4.440 18.384 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.607 18.428 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.408 19.000 -11.747 1.00 0.00 H new ATOM 25 N LYS A 33 -1.233 20.750 -9.489 1.00 0.00 N ATOM 26 CA LYS A 33 -1.012 22.092 -8.959 1.00 0.00 C ATOM 27 C LYS A 33 -0.434 23.003 -10.032 1.00 0.00 C ATOM 28 O LYS A 33 -1.148 23.820 -10.612 1.00 0.00 O ATOM 29 CB LYS A 33 -0.057 22.036 -7.766 1.00 0.00 C ATOM 30 CG LYS A 33 -0.749 21.343 -6.592 1.00 0.00 C ATOM 31 CD LYS A 33 0.192 21.320 -5.386 1.00 0.00 C ATOM 32 CE LYS A 33 -0.497 20.616 -4.214 1.00 0.00 C ATOM 33 NZ LYS A 33 0.401 20.638 -3.026 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.477 20.091 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.972 22.494 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.850 21.496 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.245 23.044 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.670 21.868 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.027 20.326 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.116 20.802 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.464 22.337 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.439 21.112 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.737 19.587 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.066 20.160 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.289 20.146 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.608 21.623 -2.766 1.00 0.00 H new ATOM 47 N ASN A 34 0.864 22.861 -10.292 1.00 0.00 N ATOM 48 CA ASN A 34 1.536 23.681 -11.303 1.00 0.00 C ATOM 49 C ASN A 34 2.350 22.801 -12.244 1.00 0.00 C ATOM 50 O ASN A 34 1.910 21.719 -12.634 1.00 0.00 O ATOM 51 CB ASN A 34 2.455 24.694 -10.620 1.00 0.00 C ATOM 52 CG ASN A 34 1.663 25.513 -9.606 1.00 0.00 C ATOM 53 OD1 ASN A 34 0.505 25.854 -9.847 1.00 0.00 O ATOM 54 ND2 ASN A 34 2.224 25.852 -8.476 1.00 0.00 N ATOM 0 H ASN A 34 1.471 22.190 -9.820 1.00 0.00 H new ATOM 0 HA ASN A 34 0.780 24.211 -11.883 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.275 24.176 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.901 25.354 -11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.702 26.400 -7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.184 25.569 -8.278 1.00 0.00 H new ATOM 61 N ASP A 35 3.538 23.273 -12.605 1.00 0.00 N ATOM 62 CA ASP A 35 4.413 22.524 -13.506 1.00 0.00 C ATOM 63 C ASP A 35 5.303 21.570 -12.717 1.00 0.00 C ATOM 64 O ASP A 35 6.180 20.916 -13.279 1.00 0.00 O ATOM 65 CB ASP A 35 5.283 23.491 -14.310 1.00 0.00 C ATOM 66 CG ASP A 35 4.413 24.313 -15.255 1.00 0.00 C ATOM 67 OD1 ASP A 35 3.296 23.895 -15.516 1.00 0.00 O ATOM 68 OD2 ASP A 35 4.874 25.348 -15.703 1.00 0.00 O1- ATOM 0 H ASP A 35 3.918 24.166 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 35 3.792 21.942 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.826 24.152 -13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.028 22.935 -14.879 1.00 0.00 H new ATOM 73 N ASN A 36 5.069 21.496 -11.410 1.00 0.00 N ATOM 74 CA ASN A 36 5.857 20.618 -10.551 1.00 0.00 C ATOM 75 C ASN A 36 5.644 19.160 -10.943 1.00 0.00 C ATOM 76 O ASN A 36 6.393 18.278 -10.521 1.00 0.00 O ATOM 77 CB ASN A 36 5.460 20.821 -9.088 1.00 0.00 C ATOM 78 CG ASN A 36 5.556 22.297 -8.723 1.00 0.00 C ATOM 79 OD1 ASN A 36 4.843 22.766 -7.836 1.00 0.00 O ATOM 80 ND2 ASN A 36 6.397 23.065 -9.360 1.00 0.00 N ATOM 0 H ASN A 36 4.346 22.029 -10.926 1.00 0.00 H new ATOM 0 HA ASN A 36 6.911 20.867 -10.675 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.443 20.463 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.112 20.235 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.464 24.055 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.987 22.675 -10.095 1.00 0.00 H new ATOM 87 N ASP A 37 4.617 18.911 -11.749 1.00 0.00 N ATOM 88 CA ASP A 37 4.312 17.554 -12.189 1.00 0.00 C ATOM 89 C ASP A 37 5.232 17.140 -13.330 1.00 0.00 C ATOM 90 O ASP A 37 5.140 16.026 -13.844 1.00 0.00 O ATOM 91 CB ASP A 37 2.855 17.466 -12.647 1.00 0.00 C ATOM 92 CG ASP A 37 2.589 18.504 -13.732 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.548 19.056 -14.243 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.429 18.731 -14.036 1.00 0.00 O ATOM 0 H ASP A 37 3.985 19.626 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 37 4.469 16.878 -11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.644 16.467 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.188 17.632 -11.801 1.00 0.00 H new ATOM 99 N ALA A 38 6.120 18.043 -13.714 1.00 0.00 N ATOM 100 CA ALA A 38 7.061 17.766 -14.796 1.00 0.00 C ATOM 101 C ALA A 38 8.071 16.715 -14.368 1.00 0.00 C ATOM 102 O ALA A 38 8.554 16.734 -13.235 1.00 0.00 O ATOM 103 CB ALA A 38 7.797 19.043 -15.198 1.00 0.00 C ATOM 0 H ALA A 38 6.212 18.970 -13.298 1.00 0.00 H new ATOM 0 HA ALA A 38 6.496 17.391 -15.650 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.495 18.822 -16.005 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.076 19.788 -15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.346 19.432 -14.340 1.00 0.00 H new ATOM 109 N LEU A 39 8.393 15.794 -15.280 1.00 0.00 N ATOM 110 CA LEU A 39 9.357 14.733 -14.986 1.00 0.00 C ATOM 111 C LEU A 39 10.575 14.854 -15.879 1.00 0.00 C ATOM 112 O LEU A 39 10.460 14.893 -17.102 1.00 0.00 O ATOM 113 CB LEU A 39 8.707 13.366 -15.192 1.00 0.00 C ATOM 114 CG LEU A 39 7.372 13.295 -14.404 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.206 13.582 -15.348 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.201 11.897 -13.801 1.00 0.00 C ATOM 0 H LEU A 39 8.003 15.762 -16.222 1.00 0.00 H new ATOM 0 HA LEU A 39 9.672 14.834 -13.947 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.523 13.197 -16.253 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.381 12.578 -14.856 1.00 0.00 H new ATOM 0 HG LEU A 39 7.388 14.036 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.269 13.532 -14.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.321 14.577 -15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.195 12.842 -16.148 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.262 11.851 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.188 11.155 -14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.030 11.688 -13.125 1.00 0.00 H new ATOM 128 N ILE A 40 11.744 14.914 -15.253 1.00 0.00 N ATOM 129 CA ILE A 40 12.998 15.039 -16.004 1.00 0.00 C ATOM 130 C ILE A 40 13.658 13.683 -16.165 1.00 0.00 C ATOM 131 O ILE A 40 13.827 12.940 -15.198 1.00 0.00 O ATOM 132 CB ILE A 40 13.954 15.989 -15.283 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.209 17.278 -14.928 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.138 16.324 -16.195 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.556 17.882 -16.180 1.00 0.00 C ATOM 0 H ILE A 40 11.855 14.879 -14.240 1.00 0.00 H new ATOM 0 HA ILE A 40 12.767 15.441 -16.990 1.00 0.00 H new ATOM 0 HB ILE A 40 14.323 15.511 -14.375 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.447 17.070 -14.177 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.901 17.996 -14.489 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.816 17.001 -15.676 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.668 15.408 -16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.773 16.802 -17.104 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.030 18.798 -15.910 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.325 18.109 -16.918 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.848 17.168 -16.602 1.00 0.00 H new ATOM 147 N MET A 41 14.031 13.364 -17.397 1.00 0.00 N ATOM 148 CA MET A 41 14.677 12.088 -17.687 1.00 0.00 C ATOM 149 C MET A 41 16.188 12.193 -17.485 1.00 0.00 C ATOM 150 O MET A 41 16.792 13.231 -17.752 1.00 0.00 O ATOM 151 CB MET A 41 14.381 11.656 -19.127 1.00 0.00 C ATOM 152 CG MET A 41 15.208 10.401 -19.481 1.00 0.00 C ATOM 153 SD MET A 41 16.744 10.901 -20.298 1.00 0.00 S ATOM 154 CE MET A 41 16.063 11.045 -21.966 1.00 0.00 C ATOM 0 H MET A 41 13.899 13.967 -18.209 1.00 0.00 H new ATOM 0 HA MET A 41 14.279 11.342 -17.000 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.318 11.445 -19.241 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.621 12.466 -19.815 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.432 9.833 -18.578 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.632 9.746 -20.135 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.850 11.350 -22.655 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.660 10.082 -22.279 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.268 11.790 -21.971 1.00 0.00 H new ATOM 164 N CYS A 42 16.787 11.108 -17.008 1.00 0.00 N ATOM 165 CA CYS A 42 18.231 11.085 -16.765 1.00 0.00 C ATOM 166 C CYS A 42 18.999 10.841 -18.063 1.00 0.00 C ATOM 167 O CYS A 42 18.811 9.829 -18.722 1.00 0.00 O ATOM 168 CB CYS A 42 18.576 9.978 -15.773 1.00 0.00 C ATOM 169 SG CYS A 42 20.374 9.845 -15.609 1.00 0.00 S ATOM 0 H CYS A 42 16.304 10.239 -16.782 1.00 0.00 H new ATOM 0 HA CYS A 42 18.518 12.054 -16.358 1.00 0.00 H new ATOM 0 HB2 CYS A 42 18.128 10.193 -14.803 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.161 9.029 -16.113 1.00 0.00 H new ATOM 174 N MET A 43 19.871 11.769 -18.421 1.00 0.00 N ATOM 175 CA MET A 43 20.659 11.626 -19.643 1.00 0.00 C ATOM 176 C MET A 43 21.565 10.406 -19.561 1.00 0.00 C ATOM 177 O MET A 43 22.314 10.120 -20.496 1.00 0.00 O ATOM 178 CB MET A 43 21.511 12.877 -19.867 1.00 0.00 C ATOM 179 CG MET A 43 22.218 13.255 -18.560 1.00 0.00 C ATOM 180 SD MET A 43 23.304 14.675 -18.848 1.00 0.00 S ATOM 181 CE MET A 43 24.615 13.801 -19.741 1.00 0.00 C ATOM 0 H MET A 43 20.053 12.622 -17.892 1.00 0.00 H new ATOM 0 HA MET A 43 19.971 11.498 -20.478 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.246 12.694 -20.651 1.00 0.00 H new ATOM 0 HB3 MET A 43 20.883 13.702 -20.205 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.482 13.496 -17.793 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.798 12.409 -18.190 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.546 14.362 -19.662 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.751 12.810 -19.309 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.338 13.704 -20.791 1.00 0.00 H new ATOM 191 N ARG A 44 21.489 9.685 -18.443 1.00 0.00 N ATOM 192 CA ARG A 44 22.304 8.484 -18.251 1.00 0.00 C ATOM 193 C ARG A 44 21.400 7.265 -18.086 1.00 0.00 C ATOM 194 O ARG A 44 21.307 6.422 -18.978 1.00 0.00 O ATOM 195 CB ARG A 44 23.204 8.654 -17.012 1.00 0.00 C ATOM 196 CG ARG A 44 24.481 7.832 -17.193 1.00 0.00 C ATOM 197 CD ARG A 44 25.326 7.904 -15.927 1.00 0.00 C ATOM 198 NE ARG A 44 24.713 7.108 -14.871 1.00 0.00 N ATOM 199 CZ ARG A 44 25.316 6.947 -13.698 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.474 7.507 -13.480 1.00 0.00 N ATOM 201 NH2 ARG A 44 24.753 6.225 -12.769 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.875 9.909 -17.660 1.00 0.00 H new ATOM 0 HA ARG A 44 22.937 8.336 -19.126 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.453 9.706 -16.871 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.674 8.329 -16.117 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.228 6.795 -17.414 1.00 0.00 H new ATOM 0 HG3 ARG A 44 25.050 8.209 -18.043 1.00 0.00 H new ATOM 0 HD2 ARG A 44 26.333 7.539 -16.131 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.422 8.940 -15.603 1.00 0.00 H new ATOM 0 HE ARG A 44 23.808 6.668 -15.035 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.915 8.067 -14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 44 26.938 7.385 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 44 23.850 5.784 -12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 44 25.216 6.101 -11.869 1.00 0.00 H new ATOM 215 N CYS A 45 20.746 7.177 -16.933 1.00 0.00 N ATOM 216 CA CYS A 45 19.857 6.060 -16.651 1.00 0.00 C ATOM 217 C CYS A 45 18.668 6.080 -17.601 1.00 0.00 C ATOM 218 O CYS A 45 17.979 5.074 -17.766 1.00 0.00 O ATOM 219 CB CYS A 45 19.355 6.134 -15.207 1.00 0.00 C ATOM 220 SG CYS A 45 20.748 6.420 -14.097 1.00 0.00 S ATOM 0 H CYS A 45 20.815 7.864 -16.182 1.00 0.00 H new ATOM 0 HA CYS A 45 20.414 5.133 -16.791 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.625 6.937 -15.106 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.848 5.207 -14.939 1.00 0.00 H new ATOM 225 N ARG A 46 18.424 7.237 -18.214 1.00 0.00 N ATOM 226 CA ARG A 46 17.304 7.378 -19.141 1.00 0.00 C ATOM 227 C ARG A 46 15.995 7.019 -18.462 1.00 0.00 C ATOM 228 O ARG A 46 15.087 6.480 -19.093 1.00 0.00 O ATOM 229 CB ARG A 46 17.514 6.488 -20.365 1.00 0.00 C ATOM 230 CG ARG A 46 18.653 7.052 -21.214 1.00 0.00 C ATOM 231 CD ARG A 46 18.937 6.108 -22.378 1.00 0.00 C ATOM 232 NE ARG A 46 17.780 6.036 -23.266 1.00 0.00 N ATOM 233 CZ ARG A 46 17.647 5.049 -24.149 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.558 4.119 -24.231 1.00 0.00 N ATOM 235 NH2 ARG A 46 16.603 5.012 -24.932 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.981 8.082 -18.087 1.00 0.00 H new ATOM 0 HA ARG A 46 17.257 8.419 -19.460 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.748 5.470 -20.052 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.598 6.438 -20.953 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.386 8.040 -21.590 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.548 7.175 -20.605 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.809 6.456 -22.933 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.176 5.114 -21.999 1.00 0.00 H new ATOM 0 HE ARG A 46 17.060 6.756 -23.208 1.00 0.00 H new ATOM 0 HH11 ARG A 46 19.373 4.148 -23.618 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.455 3.363 -24.908 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.890 5.739 -24.867 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.500 4.256 -25.609 1.00 0.00 H new ATOM 249 N LYS A 47 15.895 7.327 -17.169 1.00 0.00 N ATOM 250 CA LYS A 47 14.678 7.036 -16.409 1.00 0.00 C ATOM 251 C LYS A 47 13.886 8.313 -16.170 1.00 0.00 C ATOM 252 O LYS A 47 14.441 9.334 -15.760 1.00 0.00 O ATOM 253 CB LYS A 47 15.039 6.401 -15.066 1.00 0.00 C ATOM 254 CG LYS A 47 15.666 5.026 -15.304 1.00 0.00 C ATOM 255 CD LYS A 47 16.039 4.395 -13.962 1.00 0.00 C ATOM 256 CE LYS A 47 16.758 3.068 -14.204 1.00 0.00 C ATOM 257 NZ LYS A 47 15.812 2.093 -14.818 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.635 7.774 -16.629 1.00 0.00 H new ATOM 0 HA LYS A 47 14.068 6.341 -16.985 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.735 7.041 -14.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.148 6.304 -14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.966 4.383 -15.838 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.552 5.123 -15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.681 5.071 -13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.143 4.231 -13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.615 3.221 -14.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.143 2.674 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.209 1.134 -14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.903 2.127 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.663 2.336 -15.818 1.00 0.00 H new ATOM 271 N VAL A 48 12.583 8.255 -16.436 1.00 0.00 N ATOM 272 CA VAL A 48 11.723 9.423 -16.254 1.00 0.00 C ATOM 273 C VAL A 48 11.133 9.416 -14.850 1.00 0.00 C ATOM 274 O VAL A 48 10.485 8.451 -14.445 1.00 0.00 O ATOM 275 CB VAL A 48 10.598 9.412 -17.297 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.050 10.824 -17.482 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.141 8.894 -18.628 1.00 0.00 C ATOM 0 H VAL A 48 12.103 7.421 -16.775 1.00 0.00 H new ATOM 0 HA VAL A 48 12.317 10.327 -16.385 1.00 0.00 H new ATOM 0 HB VAL A 48 9.796 8.759 -16.953 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.251 10.810 -18.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.657 11.189 -16.533 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.849 11.483 -17.822 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.342 8.886 -19.369 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.946 9.544 -18.970 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.523 7.882 -18.496 1.00 0.00 H new ATOM 287 N LYS A 49 11.364 10.496 -14.108 1.00 0.00 N ATOM 288 CA LYS A 49 10.858 10.603 -12.740 1.00 0.00 C ATOM 289 C LYS A 49 10.459 12.038 -12.432 1.00 0.00 C ATOM 290 O LYS A 49 10.844 12.963 -13.144 1.00 0.00 O ATOM 291 CB LYS A 49 11.925 10.139 -11.754 1.00 0.00 C ATOM 292 CG LYS A 49 12.256 8.665 -12.008 1.00 0.00 C ATOM 293 CD LYS A 49 13.289 8.183 -10.990 1.00 0.00 C ATOM 294 CE LYS A 49 13.741 6.770 -11.351 1.00 0.00 C ATOM 295 NZ LYS A 49 14.470 6.174 -10.194 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.895 11.306 -14.428 1.00 0.00 H new ATOM 0 HA LYS A 49 9.978 9.967 -12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.823 10.747 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.571 10.271 -10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.351 8.062 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.642 8.539 -13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.145 8.858 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.860 8.194 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.879 6.155 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.387 6.796 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.779 5.211 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.301 6.758 -9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.839 6.137 -9.368 1.00 0.00 H new ATOM 309 N GLY A 50 9.690 12.220 -11.367 1.00 0.00 N ATOM 310 CA GLY A 50 9.237 13.552 -10.979 1.00 0.00 C ATOM 311 C GLY A 50 10.235 14.241 -10.062 1.00 0.00 C ATOM 312 O GLY A 50 11.274 13.676 -9.722 1.00 0.00 O ATOM 0 H GLY A 50 9.367 11.468 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.084 14.159 -11.872 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.273 13.476 -10.476 1.00 0.00 H new ATOM 316 N ILE A 51 9.914 15.470 -9.666 1.00 0.00 N ATOM 317 CA ILE A 51 10.794 16.226 -8.785 1.00 0.00 C ATOM 318 C ILE A 51 11.108 15.425 -7.516 1.00 0.00 C ATOM 319 O ILE A 51 11.914 15.847 -6.687 1.00 0.00 O ATOM 320 CB ILE A 51 10.134 17.553 -8.402 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.129 18.418 -7.622 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.905 17.281 -7.532 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.613 19.849 -7.555 1.00 0.00 C ATOM 0 H ILE A 51 9.061 15.958 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 51 11.726 16.422 -9.316 1.00 0.00 H new ATOM 0 HB ILE A 51 9.830 18.078 -9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.262 18.021 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.105 18.394 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.436 18.226 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.194 16.670 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.209 16.753 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.320 20.465 -7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.502 20.244 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.646 19.864 -7.052 1.00 0.00 H new ATOM 335 N ASP A 52 10.476 14.265 -7.370 1.00 0.00 N ATOM 336 CA ASP A 52 10.709 13.424 -6.208 1.00 0.00 C ATOM 337 C ASP A 52 12.061 12.729 -6.306 1.00 0.00 C ATOM 338 O ASP A 52 12.835 12.715 -5.349 1.00 0.00 O ATOM 339 CB ASP A 52 9.595 12.380 -6.104 1.00 0.00 C ATOM 340 CG ASP A 52 9.498 11.587 -7.404 1.00 0.00 C ATOM 341 OD1 ASP A 52 9.835 12.139 -8.438 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 9.079 10.442 -7.347 1.00 0.00 O ATOM 0 H ASP A 52 9.803 13.890 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 52 10.710 14.051 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.794 11.706 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.644 12.871 -5.896 1.00 0.00 H new ATOM 347 N SER A 53 12.337 12.153 -7.472 1.00 0.00 N ATOM 348 CA SER A 53 13.606 11.457 -7.688 1.00 0.00 C ATOM 349 C SER A 53 14.667 12.423 -8.201 1.00 0.00 C ATOM 350 O SER A 53 15.777 12.017 -8.540 1.00 0.00 O ATOM 351 CB SER A 53 13.422 10.318 -8.687 1.00 0.00 C ATOM 352 OG SER A 53 12.123 9.768 -8.514 1.00 0.00 O ATOM 0 H SER A 53 11.708 12.152 -8.275 1.00 0.00 H new ATOM 0 HA SER A 53 13.936 11.046 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.545 10.685 -9.706 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.181 9.552 -8.531 1.00 0.00 H new ATOM 0 HG SER A 53 12.194 8.892 -8.081 1.00 0.00 H new ATOM 358 N TYR A 54 14.314 13.707 -8.254 1.00 0.00 N ATOM 359 CA TYR A 54 15.239 14.743 -8.728 1.00 0.00 C ATOM 360 C TYR A 54 15.401 15.838 -7.684 1.00 0.00 C ATOM 361 O TYR A 54 14.426 16.305 -7.100 1.00 0.00 O ATOM 362 CB TYR A 54 14.711 15.341 -10.052 1.00 0.00 C ATOM 363 CG TYR A 54 15.364 14.647 -11.229 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.138 13.284 -11.456 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.205 15.367 -12.085 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.751 12.645 -12.536 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.815 14.729 -13.162 1.00 0.00 C ATOM 368 CZ TYR A 54 16.589 13.368 -13.391 1.00 0.00 C ATOM 369 OH TYR A 54 17.195 12.737 -14.458 1.00 0.00 O ATOM 0 H TYR A 54 13.397 14.057 -7.976 1.00 0.00 H new ATOM 0 HA TYR A 54 16.216 14.291 -8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.628 15.227 -10.106 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.921 16.410 -10.087 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.490 12.727 -10.796 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.381 16.418 -11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.578 11.593 -12.711 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.464 15.286 -13.822 1.00 0.00 H new ATOM 0 HH TYR A 54 18.168 12.820 -14.377 1.00 0.00 H new ATOM 379 N SER A 55 16.646 16.246 -7.466 1.00 0.00 N ATOM 380 CA SER A 55 16.934 17.293 -6.501 1.00 0.00 C ATOM 381 C SER A 55 16.361 18.625 -6.975 1.00 0.00 C ATOM 382 O SER A 55 16.137 18.828 -8.169 1.00 0.00 O ATOM 383 CB SER A 55 18.444 17.426 -6.309 1.00 0.00 C ATOM 384 OG SER A 55 19.025 17.930 -7.503 1.00 0.00 O ATOM 0 H SER A 55 17.465 15.869 -7.942 1.00 0.00 H new ATOM 0 HA SER A 55 16.471 17.025 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.659 18.095 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.878 16.457 -6.060 1.00 0.00 H new ATOM 0 HG SER A 55 19.723 18.580 -7.278 1.00 0.00 H new ATOM 390 N LYS A 56 16.125 19.528 -6.033 1.00 0.00 N ATOM 391 CA LYS A 56 15.576 20.836 -6.363 1.00 0.00 C ATOM 392 C LYS A 56 16.534 21.610 -7.261 1.00 0.00 C ATOM 393 O LYS A 56 16.114 22.265 -8.214 1.00 0.00 O ATOM 394 CB LYS A 56 15.323 21.633 -5.085 1.00 0.00 C ATOM 395 CG LYS A 56 14.180 20.987 -4.297 1.00 0.00 C ATOM 396 CD LYS A 56 13.976 21.736 -2.973 1.00 0.00 C ATOM 397 CE LYS A 56 13.221 23.047 -3.222 1.00 0.00 C ATOM 398 NZ LYS A 56 12.807 23.637 -1.922 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.304 19.380 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 56 14.636 20.689 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.227 21.662 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.071 22.665 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.262 21.010 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.407 19.939 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.417 21.112 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.941 21.945 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.856 23.747 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.346 22.862 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.295 24.526 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.186 22.970 -1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.650 23.828 -1.343 1.00 0.00 H new ATOM 412 N THR A 57 17.825 21.530 -6.949 1.00 0.00 N ATOM 413 CA THR A 57 18.833 22.229 -7.738 1.00 0.00 C ATOM 414 C THR A 57 18.853 21.704 -9.169 1.00 0.00 C ATOM 415 O THR A 57 18.837 22.479 -10.123 1.00 0.00 O ATOM 416 CB THR A 57 20.211 22.040 -7.104 1.00 0.00 C ATOM 417 OG1 THR A 57 20.211 22.591 -5.796 1.00 0.00 O ATOM 418 CG2 THR A 57 21.270 22.741 -7.957 1.00 0.00 C ATOM 0 H THR A 57 18.194 20.994 -6.164 1.00 0.00 H new ATOM 0 HA THR A 57 18.583 23.290 -7.757 1.00 0.00 H new ATOM 0 HB THR A 57 20.441 20.976 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.094 22.468 -5.389 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.252 22.605 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.271 22.313 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.043 23.805 -8.017 1.00 0.00 H new ATOM 426 N GLN A 58 18.884 20.382 -9.311 1.00 0.00 N ATOM 427 CA GLN A 58 18.906 19.767 -10.634 1.00 0.00 C ATOM 428 C GLN A 58 17.598 20.027 -11.370 1.00 0.00 C ATOM 429 O GLN A 58 17.595 20.333 -12.561 1.00 0.00 O ATOM 430 CB GLN A 58 19.126 18.259 -10.501 1.00 0.00 C ATOM 431 CG GLN A 58 20.528 17.991 -9.946 1.00 0.00 C ATOM 432 CD GLN A 58 21.583 18.394 -10.971 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.547 17.935 -12.112 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.521 19.235 -10.632 1.00 0.00 N ATOM 0 H GLN A 58 18.894 19.721 -8.534 1.00 0.00 H new ATOM 0 HA GLN A 58 19.723 20.208 -11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.374 17.829 -9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.010 17.777 -11.472 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.675 18.550 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.634 16.935 -9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.548 19.614 -9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.227 19.514 -11.314 1.00 0.00 H new ATOM 443 N TRP A 59 16.487 19.910 -10.653 1.00 0.00 N ATOM 444 CA TRP A 59 15.175 20.141 -11.243 1.00 0.00 C ATOM 445 C TRP A 59 14.997 21.613 -11.603 1.00 0.00 C ATOM 446 O TRP A 59 14.370 21.945 -12.605 1.00 0.00 O ATOM 447 CB TRP A 59 14.077 19.715 -10.265 1.00 0.00 C ATOM 448 CG TRP A 59 12.736 20.005 -10.865 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.120 19.244 -11.799 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.838 21.119 -10.587 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.900 19.821 -12.113 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.682 20.978 -11.392 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.913 22.226 -9.723 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.639 21.903 -11.341 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.865 23.159 -9.668 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.729 22.999 -10.476 1.00 0.00 C ATOM 0 H TRP A 59 16.468 19.657 -9.665 1.00 0.00 H new ATOM 0 HA TRP A 59 15.100 19.546 -12.153 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.166 18.652 -10.042 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.188 20.249 -9.321 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.515 18.335 -12.229 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.244 19.438 -12.793 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.783 22.360 -9.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.767 21.774 -11.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.934 24.005 -9.000 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.926 23.720 -10.430 1.00 0.00 H new ATOM 467 N SER A 60 15.547 22.490 -10.772 1.00 0.00 N ATOM 468 CA SER A 60 15.441 23.926 -11.003 1.00 0.00 C ATOM 469 C SER A 60 16.122 24.315 -12.313 1.00 0.00 C ATOM 470 O SER A 60 15.708 25.262 -12.983 1.00 0.00 O ATOM 471 CB SER A 60 16.083 24.692 -9.846 1.00 0.00 C ATOM 472 OG SER A 60 15.252 24.582 -8.696 1.00 0.00 O ATOM 0 H SER A 60 16.070 22.233 -9.934 1.00 0.00 H new ATOM 0 HA SER A 60 14.384 24.184 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.074 24.291 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.215 25.740 -10.116 1.00 0.00 H new ATOM 0 HG SER A 60 15.166 23.639 -8.444 1.00 0.00 H new ATOM 478 N LYS A 61 17.169 23.581 -12.671 1.00 0.00 N ATOM 479 CA LYS A 61 17.905 23.858 -13.898 1.00 0.00 C ATOM 480 C LYS A 61 17.016 23.646 -15.118 1.00 0.00 C ATOM 481 O LYS A 61 17.437 23.885 -16.250 1.00 0.00 O ATOM 482 CB LYS A 61 19.128 22.946 -13.988 1.00 0.00 C ATOM 483 CG LYS A 61 20.198 23.420 -12.999 1.00 0.00 C ATOM 484 CD LYS A 61 21.357 22.416 -12.970 1.00 0.00 C ATOM 485 CE LYS A 61 22.225 22.581 -14.223 1.00 0.00 C ATOM 486 NZ LYS A 61 23.479 21.800 -14.063 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.526 22.793 -12.131 1.00 0.00 H new ATOM 0 HA LYS A 61 18.229 24.899 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.844 21.917 -13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.527 22.955 -15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.564 24.405 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.767 23.521 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.961 22.571 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.967 21.399 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.681 22.239 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.457 23.634 -14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.068 21.912 -14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.000 22.146 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.247 20.795 -13.932 1.00 0.00 H new ATOM 500 N THR A 62 15.792 23.195 -14.880 1.00 0.00 N ATOM 501 CA THR A 62 14.856 22.954 -15.968 1.00 0.00 C ATOM 502 C THR A 62 14.324 24.270 -16.525 1.00 0.00 C ATOM 503 O THR A 62 13.783 24.313 -17.629 1.00 0.00 O ATOM 504 CB THR A 62 13.690 22.100 -15.473 1.00 0.00 C ATOM 505 OG1 THR A 62 13.063 22.746 -14.376 1.00 0.00 O ATOM 506 CG2 THR A 62 14.207 20.728 -15.036 1.00 0.00 C ATOM 0 H THR A 62 15.426 22.990 -13.950 1.00 0.00 H new ATOM 0 HA THR A 62 15.383 22.426 -16.762 1.00 0.00 H new ATOM 0 HB THR A 62 12.967 21.971 -16.279 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.286 22.273 -13.547 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.374 20.121 -14.683 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.685 20.233 -15.882 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.932 20.852 -14.231 1.00 0.00 H new ATOM 514 N PHE A 63 14.476 25.338 -15.752 1.00 0.00 N ATOM 515 CA PHE A 63 14.007 26.659 -16.162 1.00 0.00 C ATOM 516 C PHE A 63 14.955 27.739 -15.667 1.00 0.00 C ATOM 517 O PHE A 63 15.662 27.554 -14.677 1.00 0.00 O ATOM 518 CB PHE A 63 12.606 26.912 -15.606 1.00 0.00 C ATOM 519 CG PHE A 63 12.596 26.639 -14.122 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.078 27.603 -13.227 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.106 25.420 -13.638 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.068 27.347 -11.851 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.096 25.165 -12.263 1.00 0.00 C ATOM 524 CZ PHE A 63 12.579 26.128 -11.368 1.00 0.00 C ATOM 0 H PHE A 63 14.922 25.317 -14.835 1.00 0.00 H new ATOM 0 HA PHE A 63 13.975 26.691 -17.251 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.307 27.942 -15.799 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.882 26.271 -16.109 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.457 28.543 -13.599 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.735 24.676 -14.327 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.438 28.091 -11.161 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.716 24.225 -11.891 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.574 25.930 -10.306 1.00 0.00 H new ATOM 534 N THR A 64 14.970 28.868 -16.370 1.00 0.00 N ATOM 535 CA THR A 64 15.839 29.988 -16.009 1.00 0.00 C ATOM 536 C THR A 64 15.040 31.275 -15.938 1.00 0.00 C ATOM 537 O THR A 64 13.874 31.313 -16.327 1.00 0.00 O ATOM 538 CB THR A 64 16.957 30.133 -17.045 1.00 0.00 C ATOM 539 OG1 THR A 64 16.389 30.293 -18.336 1.00 0.00 O ATOM 540 CG2 THR A 64 17.855 28.892 -17.018 1.00 0.00 C ATOM 0 H THR A 64 14.391 29.033 -17.193 1.00 0.00 H new ATOM 0 HA THR A 64 16.275 29.790 -15.030 1.00 0.00 H new ATOM 0 HB THR A 64 17.559 31.010 -16.807 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.105 30.388 -18.999 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.649 29.001 -17.757 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.295 28.783 -16.027 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.261 28.008 -17.251 1.00 0.00 H new ATOM 548 N PHE A 65 15.670 32.327 -15.424 1.00 0.00 N ATOM 549 CA PHE A 65 15.004 33.622 -15.293 1.00 0.00 C ATOM 550 C PHE A 65 15.522 34.594 -16.340 1.00 0.00 C ATOM 551 O PHE A 65 16.716 34.887 -16.392 1.00 0.00 O ATOM 552 CB PHE A 65 15.250 34.189 -13.876 1.00 0.00 C ATOM 553 CG PHE A 65 13.941 34.635 -13.261 1.00 0.00 C ATOM 554 CD1 PHE A 65 12.904 33.710 -13.091 1.00 0.00 C ATOM 555 CD2 PHE A 65 13.761 35.968 -12.874 1.00 0.00 C ATOM 556 CE1 PHE A 65 11.689 34.117 -12.537 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.545 36.375 -12.322 1.00 0.00 C ATOM 558 CZ PHE A 65 11.510 35.450 -12.153 1.00 0.00 C ATOM 0 H PHE A 65 16.635 32.311 -15.093 1.00 0.00 H new ATOM 0 HA PHE A 65 13.934 33.487 -15.448 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.716 33.430 -13.248 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.942 35.030 -13.927 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.044 32.681 -13.389 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.562 36.681 -13.002 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.889 33.404 -12.405 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.404 37.404 -12.026 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.570 35.766 -11.725 1.00 0.00 H new ATOM 568 N VAL A 66 14.613 35.101 -17.163 1.00 0.00 N ATOM 569 CA VAL A 66 14.976 36.056 -18.207 1.00 0.00 C ATOM 570 C VAL A 66 14.064 37.278 -18.156 1.00 0.00 C ATOM 571 O VAL A 66 12.844 37.153 -18.054 1.00 0.00 O ATOM 572 CB VAL A 66 14.875 35.385 -19.577 1.00 0.00 C ATOM 573 CG1 VAL A 66 15.021 36.437 -20.678 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.993 34.347 -19.716 1.00 0.00 C ATOM 0 H VAL A 66 13.620 34.869 -17.130 1.00 0.00 H new ATOM 0 HA VAL A 66 16.002 36.384 -18.041 1.00 0.00 H new ATOM 0 HB VAL A 66 13.905 34.896 -19.670 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.949 35.956 -21.653 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.228 37.179 -20.580 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.990 36.927 -20.587 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.924 33.866 -20.692 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.961 34.840 -19.622 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.891 33.595 -18.933 1.00 0.00 H new ATOM 584 N ARG A 67 14.666 38.457 -18.242 1.00 0.00 N ATOM 585 CA ARG A 67 13.902 39.697 -18.218 1.00 0.00 C ATOM 586 C ARG A 67 12.878 39.674 -17.090 1.00 0.00 C ATOM 587 O ARG A 67 11.836 40.326 -17.172 1.00 0.00 O ATOM 588 CB ARG A 67 13.187 39.893 -19.558 1.00 0.00 C ATOM 589 CG ARG A 67 14.215 40.212 -20.645 1.00 0.00 C ATOM 590 CD ARG A 67 13.502 40.366 -21.990 1.00 0.00 C ATOM 591 NE ARG A 67 14.464 40.716 -23.031 1.00 0.00 N ATOM 592 CZ ARG A 67 15.146 39.780 -23.685 1.00 0.00 C ATOM 593 NH1 ARG A 67 14.962 38.521 -23.398 1.00 0.00 N ATOM 594 NH2 ARG A 67 15.998 40.121 -24.612 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.675 38.581 -18.328 1.00 0.00 H new ATOM 0 HA ARG A 67 14.591 40.525 -18.049 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.632 38.992 -19.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.462 40.703 -19.480 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.750 41.129 -20.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.957 39.416 -20.704 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.995 39.437 -22.250 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.736 41.138 -21.918 1.00 0.00 H new ATOM 0 HE ARG A 67 14.616 41.698 -23.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.296 38.255 -22.673 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.484 37.802 -23.899 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.141 41.106 -24.836 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.521 39.403 -25.113 1.00 0.00 H new ATOM 608 N GLY A 68 13.181 38.926 -16.033 1.00 0.00 N ATOM 609 CA GLY A 68 12.283 38.835 -14.894 1.00 0.00 C ATOM 610 C GLY A 68 11.094 37.937 -15.205 1.00 0.00 C ATOM 611 O GLY A 68 10.019 38.095 -14.630 1.00 0.00 O ATOM 0 H GLY A 68 14.037 38.378 -15.945 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.823 38.444 -14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.930 39.831 -14.624 1.00 0.00 H new ATOM 615 N ARG A 69 11.292 36.993 -16.124 1.00 0.00 N ATOM 616 CA ARG A 69 10.226 36.068 -16.512 1.00 0.00 C ATOM 617 C ARG A 69 10.739 34.632 -16.525 1.00 0.00 C ATOM 618 O ARG A 69 11.809 34.349 -17.064 1.00 0.00 O ATOM 619 CB ARG A 69 9.699 36.440 -17.900 1.00 0.00 C ATOM 620 CG ARG A 69 8.532 35.523 -18.266 1.00 0.00 C ATOM 621 CD ARG A 69 7.975 35.923 -19.632 1.00 0.00 C ATOM 622 NE ARG A 69 6.782 35.140 -19.934 1.00 0.00 N ATOM 623 CZ ARG A 69 6.876 33.918 -20.450 1.00 0.00 C ATOM 624 NH1 ARG A 69 8.049 33.399 -20.688 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.795 33.237 -20.716 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.176 36.848 -16.612 1.00 0.00 H new ATOM 0 HA ARG A 69 9.419 36.143 -15.783 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.375 37.481 -17.910 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.494 36.347 -18.640 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.865 34.485 -18.287 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.751 35.592 -17.509 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.733 36.986 -19.638 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.729 35.763 -20.402 1.00 0.00 H new ATOM 0 HE ARG A 69 5.861 35.536 -19.746 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.894 33.931 -20.478 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.121 32.462 -21.084 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.878 33.642 -20.528 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.867 32.300 -21.112 1.00 0.00 H new ATOM 639 N THR A 70 9.965 33.732 -15.928 1.00 0.00 N ATOM 640 CA THR A 70 10.347 32.328 -15.878 1.00 0.00 C ATOM 641 C THR A 70 10.324 31.723 -17.274 1.00 0.00 C ATOM 642 O THR A 70 9.327 31.832 -17.990 1.00 0.00 O ATOM 643 CB THR A 70 9.384 31.556 -14.971 1.00 0.00 C ATOM 644 OG1 THR A 70 9.248 32.246 -13.738 1.00 0.00 O ATOM 645 CG2 THR A 70 9.938 30.154 -14.714 1.00 0.00 C ATOM 0 H THR A 70 9.077 33.948 -15.476 1.00 0.00 H new ATOM 0 HA THR A 70 11.358 32.258 -15.477 1.00 0.00 H new ATOM 0 HB THR A 70 8.410 31.476 -15.454 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.631 31.756 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.253 29.605 -14.069 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.046 29.626 -15.662 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.911 30.231 -14.229 1.00 0.00 H new ATOM 653 N VAL A 71 11.425 31.086 -17.660 1.00 0.00 N ATOM 654 CA VAL A 71 11.528 30.463 -18.983 1.00 0.00 C ATOM 655 C VAL A 71 12.093 29.051 -18.875 1.00 0.00 C ATOM 656 O VAL A 71 13.087 28.817 -18.188 1.00 0.00 O ATOM 657 CB VAL A 71 12.430 31.312 -19.882 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.672 32.560 -20.337 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.679 31.735 -19.101 1.00 0.00 C ATOM 0 H VAL A 71 12.258 30.986 -17.080 1.00 0.00 H new ATOM 0 HA VAL A 71 10.530 30.403 -19.416 1.00 0.00 H new ATOM 0 HB VAL A 71 12.724 30.727 -20.753 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.316 33.163 -20.977 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.783 32.263 -20.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.377 33.144 -19.465 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.321 32.340 -19.741 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.383 32.319 -18.229 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.223 30.848 -18.776 1.00 0.00 H new ATOM 669 N SER A 72 11.454 28.112 -19.562 1.00 0.00 N ATOM 670 CA SER A 72 11.906 26.728 -19.542 1.00 0.00 C ATOM 671 C SER A 72 13.162 26.567 -20.391 1.00 0.00 C ATOM 672 O SER A 72 13.221 27.057 -21.519 1.00 0.00 O ATOM 673 CB SER A 72 10.809 25.810 -20.072 1.00 0.00 C ATOM 674 OG SER A 72 9.584 26.118 -19.420 1.00 0.00 O ATOM 0 H SER A 72 10.628 28.282 -20.135 1.00 0.00 H new ATOM 0 HA SER A 72 12.137 26.455 -18.512 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.703 25.936 -21.149 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.075 24.768 -19.897 1.00 0.00 H new ATOM 0 HG SER A 72 8.876 25.531 -19.759 1.00 0.00 H new ATOM 680 N VAL A 73 14.167 25.878 -19.849 1.00 0.00 N ATOM 681 CA VAL A 73 15.410 25.668 -20.575 1.00 0.00 C ATOM 682 C VAL A 73 15.161 24.835 -21.828 1.00 0.00 C ATOM 683 O VAL A 73 14.424 23.849 -21.796 1.00 0.00 O ATOM 684 CB VAL A 73 16.421 24.951 -19.674 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.684 24.624 -20.474 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.794 25.858 -18.493 1.00 0.00 C ATOM 0 H VAL A 73 14.141 25.461 -18.918 1.00 0.00 H new ATOM 0 HA VAL A 73 15.809 26.638 -20.871 1.00 0.00 H new ATOM 0 HB VAL A 73 15.975 24.029 -19.301 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.401 24.114 -19.830 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.426 23.978 -21.313 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.126 25.547 -20.849 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.513 25.346 -17.854 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.235 26.781 -18.868 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.899 26.092 -17.917 1.00 0.00 H new ATOM 696 N SER A 74 15.782 25.240 -22.930 1.00 0.00 N ATOM 697 CA SER A 74 15.627 24.524 -24.191 1.00 0.00 C ATOM 698 C SER A 74 16.232 23.128 -24.106 1.00 0.00 C ATOM 699 O SER A 74 15.659 22.161 -24.604 1.00 0.00 O ATOM 700 CB SER A 74 16.296 25.303 -25.322 1.00 0.00 C ATOM 701 OG SER A 74 16.098 24.609 -26.547 1.00 0.00 O ATOM 0 H SER A 74 16.394 26.055 -22.976 1.00 0.00 H new ATOM 0 HA SER A 74 14.561 24.428 -24.395 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.876 26.307 -25.387 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.362 25.416 -25.122 1.00 0.00 H new ATOM 0 HG SER A 74 16.524 25.105 -27.277 1.00 0.00 H new ATOM 707 N ASP A 75 17.405 23.032 -23.483 1.00 0.00 N ATOM 708 CA ASP A 75 18.092 21.747 -23.349 1.00 0.00 C ATOM 709 C ASP A 75 18.721 21.616 -21.959 1.00 0.00 C ATOM 710 O ASP A 75 19.913 21.869 -21.786 1.00 0.00 O ATOM 711 CB ASP A 75 19.177 21.627 -24.416 1.00 0.00 C ATOM 712 CG ASP A 75 19.689 20.191 -24.465 1.00 0.00 C ATOM 713 OD1 ASP A 75 18.891 19.289 -24.268 1.00 0.00 O ATOM 714 OD2 ASP A 75 20.873 20.015 -24.701 1.00 0.00 O1- ATOM 0 H ASP A 75 17.897 23.822 -23.066 1.00 0.00 H new ATOM 0 HA ASP A 75 17.362 20.948 -23.480 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.778 21.915 -25.389 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.998 22.309 -24.193 1.00 0.00 H new ATOM 719 N PRO A 76 17.945 21.227 -20.979 1.00 0.00 N ATOM 720 CA PRO A 76 18.436 21.059 -19.585 1.00 0.00 C ATOM 721 C PRO A 76 19.138 19.720 -19.392 1.00 0.00 C ATOM 722 O PRO A 76 18.527 18.663 -19.542 1.00 0.00 O ATOM 723 CB PRO A 76 17.156 21.132 -18.742 1.00 0.00 C ATOM 724 CG PRO A 76 16.044 20.676 -19.648 1.00 0.00 C ATOM 725 CD PRO A 76 16.510 20.911 -21.096 1.00 0.00 C ATOM 0 HA PRO A 76 19.174 21.812 -19.311 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.230 20.494 -17.862 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.979 22.147 -18.386 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.821 19.622 -19.482 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.129 21.232 -19.443 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.348 20.027 -21.713 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.961 21.729 -21.561 1.00 0.00 H new ATOM 733 N LYS A 77 20.423 19.769 -19.054 1.00 0.00 N ATOM 734 CA LYS A 77 21.198 18.548 -18.836 1.00 0.00 C ATOM 735 C LYS A 77 21.424 18.322 -17.348 1.00 0.00 C ATOM 736 O LYS A 77 22.119 19.095 -16.688 1.00 0.00 O ATOM 737 CB LYS A 77 22.547 18.659 -19.540 1.00 0.00 C ATOM 738 CG LYS A 77 22.322 18.781 -21.050 1.00 0.00 C ATOM 739 CD LYS A 77 23.667 18.686 -21.778 1.00 0.00 C ATOM 740 CE LYS A 77 24.501 19.942 -21.504 1.00 0.00 C ATOM 741 NZ LYS A 77 25.612 20.023 -22.490 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.948 20.634 -18.925 1.00 0.00 H new ATOM 0 HA LYS A 77 20.640 17.705 -19.244 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.092 19.528 -19.171 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.157 17.783 -19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.654 17.991 -21.394 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.838 19.730 -21.281 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.208 17.800 -21.445 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.503 18.575 -22.850 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.874 20.831 -21.573 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.901 19.912 -20.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.179 20.875 -22.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.215 19.180 -22.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.220 20.070 -23.452 1.00 0.00 H new ATOM 755 N VAL A 78 20.832 17.254 -16.822 1.00 0.00 N ATOM 756 CA VAL A 78 20.975 16.922 -15.408 1.00 0.00 C ATOM 757 C VAL A 78 20.880 15.421 -15.205 1.00 0.00 C ATOM 758 O VAL A 78 20.333 14.706 -16.045 1.00 0.00 O ATOM 759 CB VAL A 78 19.887 17.621 -14.591 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.196 19.117 -14.501 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.534 17.421 -15.279 1.00 0.00 C ATOM 0 H VAL A 78 20.250 16.605 -17.352 1.00 0.00 H new ATOM 0 HA VAL A 78 21.953 17.264 -15.070 1.00 0.00 H new ATOM 0 HB VAL A 78 19.855 17.198 -13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.420 19.614 -13.919 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.162 19.261 -14.016 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.226 19.543 -15.504 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.755 17.917 -14.701 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.569 17.847 -16.282 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.314 16.356 -15.345 1.00 0.00 H new ATOM 771 N ILE A 79 21.423 14.945 -14.087 1.00 0.00 N ATOM 772 CA ILE A 79 21.409 13.512 -13.777 1.00 0.00 C ATOM 773 C ILE A 79 20.573 13.247 -12.531 1.00 0.00 C ATOM 774 O ILE A 79 20.609 14.015 -11.570 1.00 0.00 O ATOM 775 CB ILE A 79 22.859 13.002 -13.559 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.856 14.053 -14.059 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.065 11.705 -14.345 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.280 13.519 -13.906 1.00 0.00 C ATOM 0 H ILE A 79 21.877 15.525 -13.382 1.00 0.00 H new ATOM 0 HA ILE A 79 20.965 12.978 -14.617 1.00 0.00 H new ATOM 0 HB ILE A 79 23.020 12.821 -12.496 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.656 14.291 -15.104 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.740 14.978 -13.493 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.083 11.345 -14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.358 10.952 -13.996 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.901 11.893 -15.406 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.989 14.267 -14.262 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.477 13.303 -12.856 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.391 12.606 -14.491 1.00 0.00 H new ATOM 790 N CYS A 80 19.824 12.155 -12.557 1.00 0.00 N ATOM 791 CA CYS A 80 18.984 11.792 -11.426 1.00 0.00 C ATOM 792 C CYS A 80 19.808 11.718 -10.143 1.00 0.00 C ATOM 793 O CYS A 80 21.037 11.753 -10.176 1.00 0.00 O ATOM 794 CB CYS A 80 18.316 10.441 -11.679 1.00 0.00 C ATOM 795 SG CYS A 80 19.575 9.138 -11.753 1.00 0.00 S ATOM 0 H CYS A 80 19.781 11.508 -13.344 1.00 0.00 H new ATOM 0 HA CYS A 80 18.219 12.560 -11.311 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.601 10.224 -10.885 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.755 10.471 -12.613 1.00 0.00 H new ATOM 800 N ARG A 81 19.117 11.622 -9.015 1.00 0.00 N ATOM 801 CA ARG A 81 19.786 11.544 -7.721 1.00 0.00 C ATOM 802 C ARG A 81 20.589 10.252 -7.609 1.00 0.00 C ATOM 803 O ARG A 81 21.664 10.227 -7.011 1.00 0.00 O ATOM 804 CB ARG A 81 18.762 11.607 -6.588 1.00 0.00 C ATOM 805 CG ARG A 81 18.155 13.008 -6.530 1.00 0.00 C ATOM 806 CD ARG A 81 17.064 13.049 -5.460 1.00 0.00 C ATOM 807 NE ARG A 81 17.642 12.805 -4.143 1.00 0.00 N ATOM 808 CZ ARG A 81 16.873 12.694 -3.065 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.578 12.803 -3.173 1.00 0.00 N ATOM 810 NH2 ARG A 81 17.415 12.474 -1.898 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.098 11.596 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 81 20.465 12.393 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.979 10.866 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.239 11.366 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.929 13.742 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.737 13.275 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.567 14.019 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.304 12.299 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 81 18.654 12.718 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.155 12.974 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.988 12.718 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.428 12.387 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.826 12.389 -1.070 1.00 0.00 H new ATOM 824 N THR A 82 20.056 9.177 -8.183 1.00 0.00 N ATOM 825 CA THR A 82 20.725 7.883 -8.130 1.00 0.00 C ATOM 826 C THR A 82 22.084 7.956 -8.816 1.00 0.00 C ATOM 827 O THR A 82 22.970 7.147 -8.546 1.00 0.00 O ATOM 828 CB THR A 82 19.865 6.822 -8.821 1.00 0.00 C ATOM 829 OG1 THR A 82 19.992 6.955 -10.230 1.00 0.00 O ATOM 830 CG2 THR A 82 18.400 7.009 -8.424 1.00 0.00 C ATOM 0 H THR A 82 19.169 9.177 -8.687 1.00 0.00 H new ATOM 0 HA THR A 82 20.869 7.613 -7.084 1.00 0.00 H new ATOM 0 HB THR A 82 20.199 5.831 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.834 7.888 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.790 6.252 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.300 6.908 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.064 8.000 -8.728 1.00 0.00 H new ATOM 838 N CYS A 83 22.243 8.933 -9.704 1.00 0.00 N ATOM 839 CA CYS A 83 23.501 9.106 -10.422 1.00 0.00 C ATOM 840 C CYS A 83 24.510 9.853 -9.559 1.00 0.00 C ATOM 841 O CYS A 83 25.646 10.075 -9.980 1.00 0.00 O ATOM 842 CB CYS A 83 23.262 9.880 -11.726 1.00 0.00 C ATOM 843 SG CYS A 83 23.039 8.720 -13.097 1.00 0.00 S ATOM 0 H CYS A 83 21.521 9.613 -9.942 1.00 0.00 H new ATOM 0 HA CYS A 83 23.901 8.120 -10.658 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.381 10.514 -11.627 1.00 0.00 H new ATOM 0 HB3 CYS A 83 24.107 10.538 -11.929 1.00 0.00 H new ATOM 848 N GLN A 84 24.093 10.240 -8.359 1.00 0.00 N ATOM 849 CA GLN A 84 24.978 10.958 -7.442 1.00 0.00 C ATOM 850 C GLN A 84 26.406 10.415 -7.539 1.00 0.00 C ATOM 851 O GLN A 84 27.332 11.145 -7.895 1.00 0.00 O ATOM 852 CB GLN A 84 24.457 10.816 -5.992 1.00 0.00 C ATOM 853 CG GLN A 84 23.743 12.089 -5.566 1.00 0.00 C ATOM 854 CD GLN A 84 23.015 11.857 -4.250 1.00 0.00 C ATOM 855 OE1 GLN A 84 22.930 10.723 -3.777 1.00 0.00 O ATOM 856 NE2 GLN A 84 22.485 12.870 -3.629 1.00 0.00 N ATOM 0 H GLN A 84 23.154 10.071 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 84 24.988 12.012 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.776 9.968 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 84 25.288 10.613 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 84 24.462 12.901 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.034 12.394 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.559 13.807 -4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.996 12.727 -2.745 1.00 0.00 H new ATOM 865 N PRO A 85 26.591 9.154 -7.237 1.00 0.00 N ATOM 866 CA PRO A 85 27.930 8.505 -7.296 1.00 0.00 C ATOM 867 C PRO A 85 28.492 8.508 -8.712 1.00 0.00 C ATOM 868 O PRO A 85 28.160 7.641 -9.521 1.00 0.00 O ATOM 869 CB PRO A 85 27.665 7.068 -6.806 1.00 0.00 C ATOM 870 CG PRO A 85 26.201 6.850 -7.015 1.00 0.00 C ATOM 871 CD PRO A 85 25.554 8.204 -6.792 1.00 0.00 C ATOM 0 HA PRO A 85 28.672 9.027 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 85 28.256 6.344 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 85 27.935 6.953 -5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 85 25.999 6.479 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 85 25.811 6.109 -6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 85 24.636 8.311 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 85 25.291 8.357 -5.745 1.00 0.00 H new ATOM 879 N LYS A 86 29.350 9.477 -9.003 1.00 0.00 N ATOM 880 CA LYS A 86 29.961 9.574 -10.325 1.00 0.00 C ATOM 881 C LYS A 86 31.428 9.946 -10.208 1.00 0.00 C ATOM 882 O LYS A 86 31.762 11.055 -9.793 1.00 0.00 O ATOM 883 CB LYS A 86 29.234 10.631 -11.156 1.00 0.00 C ATOM 884 CG LYS A 86 29.631 10.492 -12.638 1.00 0.00 C ATOM 885 CD LYS A 86 28.752 9.436 -13.320 1.00 0.00 C ATOM 886 CE LYS A 86 29.047 9.421 -14.816 1.00 0.00 C ATOM 887 NZ LYS A 86 30.450 8.973 -15.039 1.00 0.00 N1+ ATOM 0 H LYS A 86 29.638 10.203 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 86 29.880 8.604 -10.815 1.00 0.00 H new ATOM 0 HB2 LYS A 86 28.156 10.515 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 29.486 11.628 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 86 29.520 11.451 -13.144 1.00 0.00 H new ATOM 0 HG3 LYS A 86 30.681 10.209 -12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 86 28.945 8.453 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 86 27.699 9.657 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 28.354 8.753 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 86 28.900 10.416 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 30.975 9.714 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 30.906 8.791 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 30.450 8.100 -15.605 1.00 0.00 H new ATOM 901 N GLN A 87 32.302 9.013 -10.584 1.00 0.00 N ATOM 902 CA GLN A 87 33.744 9.249 -10.523 1.00 0.00 C ATOM 903 C GLN A 87 34.106 10.047 -9.273 1.00 0.00 C ATOM 904 O GLN A 87 34.308 11.259 -9.337 1.00 0.00 O ATOM 905 CB GLN A 87 34.202 10.014 -11.764 1.00 0.00 C ATOM 906 CG GLN A 87 34.074 9.114 -12.995 1.00 0.00 C ATOM 907 CD GLN A 87 34.510 9.874 -14.243 1.00 0.00 C ATOM 908 OE1 GLN A 87 35.702 9.944 -14.541 1.00 0.00 O ATOM 909 NE2 GLN A 87 33.611 10.444 -14.997 1.00 0.00 N ATOM 0 H GLN A 87 32.039 8.091 -10.932 1.00 0.00 H new ATOM 0 HA GLN A 87 34.247 8.283 -10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 87 33.599 10.913 -11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 87 35.236 10.338 -11.643 1.00 0.00 H new ATOM 0 HG2 GLN A 87 34.688 8.222 -12.869 1.00 0.00 H new ATOM 0 HG3 GLN A 87 33.043 8.778 -13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 87 32.624 10.384 -14.747 1.00 0.00 H new ATOM 0 HE22 GLN A 87 33.895 10.949 -15.836 1.00 0.00 H new ATOM 918 N HIS A 88 34.178 9.362 -8.137 1.00 0.00 N ATOM 919 CA HIS A 88 34.508 10.020 -6.875 1.00 0.00 C ATOM 920 C HIS A 88 36.011 9.976 -6.639 1.00 0.00 C ATOM 921 O HIS A 88 36.757 9.415 -7.439 1.00 0.00 O ATOM 922 CB HIS A 88 33.777 9.320 -5.715 1.00 0.00 C ATOM 923 CG HIS A 88 32.362 9.822 -5.633 1.00 0.00 C ATOM 924 ND1 HIS A 88 31.743 10.461 -6.695 1.00 0.00 N ATOM 925 CD2 HIS A 88 31.437 9.793 -4.621 1.00 0.00 C ATOM 926 CE1 HIS A 88 30.499 10.788 -6.302 1.00 0.00 C ATOM 927 NE2 HIS A 88 30.261 10.404 -5.045 1.00 0.00 N ATOM 0 H HIS A 88 34.014 8.358 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 88 34.188 11.061 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 88 33.782 8.241 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 88 34.296 9.512 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 88 31.597 9.362 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 88 29.781 11.298 -6.926 1.00 0.00 H new ATOM 0 HE2 HIS A 88 29.402 10.531 -4.511 1.00 0.00 H new ATOM 935 N ASP A 89 36.443 10.576 -5.535 1.00 0.00 N ATOM 936 CA ASP A 89 37.860 10.606 -5.194 1.00 0.00 C ATOM 937 C ASP A 89 38.644 11.391 -6.237 1.00 0.00 C ATOM 938 O ASP A 89 39.858 11.549 -6.123 1.00 0.00 O ATOM 939 CB ASP A 89 38.408 9.178 -5.110 1.00 0.00 C ATOM 940 CG ASP A 89 39.733 9.172 -4.357 1.00 0.00 C ATOM 941 OD1 ASP A 89 39.836 9.885 -3.375 1.00 0.00 O ATOM 942 OD2 ASP A 89 40.627 8.455 -4.777 1.00 0.00 O1- ATOM 0 H ASP A 89 35.835 11.046 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 89 37.971 11.096 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 89 37.690 8.533 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 89 38.548 8.774 -6.113 1.00 0.00 H new ATOM 947 N SER A 90 37.942 11.881 -7.255 1.00 0.00 N ATOM 948 CA SER A 90 38.580 12.651 -8.325 1.00 0.00 C ATOM 949 C SER A 90 37.817 13.939 -8.580 1.00 0.00 C ATOM 950 O SER A 90 36.590 13.972 -8.481 1.00 0.00 O ATOM 951 CB SER A 90 38.620 11.823 -9.606 1.00 0.00 C ATOM 952 OG SER A 90 38.979 12.665 -10.689 1.00 0.00 O ATOM 0 H SER A 90 36.935 11.761 -7.364 1.00 0.00 H new ATOM 0 HA SER A 90 39.596 12.896 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 90 39.339 11.010 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 90 37.647 11.367 -9.790 1.00 0.00 H new ATOM 0 HG SER A 90 39.677 13.290 -10.400 1.00 0.00 H new ATOM 958 N ILE A 91 38.551 15.010 -8.895 1.00 0.00 N ATOM 959 CA ILE A 91 37.934 16.311 -9.152 1.00 0.00 C ATOM 960 C ILE A 91 38.243 16.769 -10.569 1.00 0.00 C ATOM 961 O ILE A 91 39.388 16.702 -11.021 1.00 0.00 O ATOM 962 CB ILE A 91 38.470 17.339 -8.157 1.00 0.00 C ATOM 963 CG1 ILE A 91 38.163 16.869 -6.734 1.00 0.00 C ATOM 964 CG2 ILE A 91 37.781 18.683 -8.402 1.00 0.00 C ATOM 965 CD1 ILE A 91 38.986 17.690 -5.742 1.00 0.00 C ATOM 0 H ILE A 91 39.568 15.001 -8.977 1.00 0.00 H new ATOM 0 HA ILE A 91 36.854 16.217 -9.036 1.00 0.00 H new ATOM 0 HB ILE A 91 39.547 17.448 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 91 37.100 16.982 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 91 38.398 15.810 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 91 38.160 19.420 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 91 37.986 19.017 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 91 36.705 18.570 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 91 38.770 17.358 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 91 40.047 17.554 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 91 38.729 18.745 -5.841 1.00 0.00 H new ATOM 977 N TRP A 92 37.217 17.235 -11.268 1.00 0.00 N ATOM 978 CA TRP A 92 37.389 17.704 -12.638 1.00 0.00 C ATOM 979 C TRP A 92 37.904 19.142 -12.641 1.00 0.00 C ATOM 980 O TRP A 92 37.201 20.064 -12.228 1.00 0.00 O ATOM 981 CB TRP A 92 36.053 17.629 -13.392 1.00 0.00 C ATOM 982 CG TRP A 92 36.151 18.399 -14.675 1.00 0.00 C ATOM 983 CD1 TRP A 92 37.267 18.509 -15.430 1.00 0.00 C ATOM 984 CD2 TRP A 92 35.123 19.176 -15.350 1.00 0.00 C ATOM 985 NE1 TRP A 92 36.993 19.302 -16.527 1.00 0.00 N ATOM 986 CE2 TRP A 92 35.681 19.734 -16.525 1.00 0.00 C ATOM 987 CE3 TRP A 92 33.773 19.443 -15.063 1.00 0.00 C ATOM 988 CZ2 TRP A 92 34.927 20.532 -17.383 1.00 0.00 C ATOM 989 CZ3 TRP A 92 33.010 20.247 -15.925 1.00 0.00 C ATOM 990 CH2 TRP A 92 33.585 20.787 -17.084 1.00 0.00 C ATOM 0 H TRP A 92 36.263 17.299 -10.913 1.00 0.00 H new ATOM 0 HA TRP A 92 38.117 17.065 -13.138 1.00 0.00 H new ATOM 0 HB2 TRP A 92 35.800 16.589 -13.599 1.00 0.00 H new ATOM 0 HB3 TRP A 92 35.252 18.035 -12.774 1.00 0.00 H new ATOM 0 HD1 TRP A 92 38.220 18.050 -15.211 1.00 0.00 H new ATOM 0 HE1 TRP A 92 37.674 19.539 -17.248 1.00 0.00 H new ATOM 0 HE3 TRP A 92 33.320 19.028 -14.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 35.376 20.950 -18.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 31.975 20.450 -15.694 1.00 0.00 H new ATOM 0 HH2 TRP A 92 32.991 21.400 -17.746 1.00 0.00 H new ATOM 1001 N CYS A 93 39.129 19.328 -13.122 1.00 0.00 N ATOM 1002 CA CYS A 93 39.727 20.661 -13.185 1.00 0.00 C ATOM 1003 C CYS A 93 39.417 21.321 -14.524 1.00 0.00 C ATOM 1004 O CYS A 93 39.577 20.709 -15.580 1.00 0.00 O ATOM 1005 CB CYS A 93 41.239 20.562 -13.013 1.00 0.00 C ATOM 1006 SG CYS A 93 41.975 22.196 -13.278 1.00 0.00 S ATOM 0 H CYS A 93 39.726 18.579 -13.472 1.00 0.00 H new ATOM 0 HA CYS A 93 39.305 21.265 -12.382 1.00 0.00 H new ATOM 0 HB2 CYS A 93 41.481 20.198 -12.014 1.00 0.00 H new ATOM 0 HB3 CYS A 93 41.652 19.844 -13.722 1.00 0.00 H new ATOM 1011 N THR A 94 38.978 22.577 -14.477 1.00 0.00 N ATOM 1012 CA THR A 94 38.658 23.312 -15.701 1.00 0.00 C ATOM 1013 C THR A 94 39.888 24.057 -16.210 1.00 0.00 C ATOM 1014 O THR A 94 39.946 24.456 -17.373 1.00 0.00 O ATOM 1015 CB THR A 94 37.531 24.310 -15.428 1.00 0.00 C ATOM 1016 OG1 THR A 94 38.079 25.505 -14.887 1.00 0.00 O ATOM 1017 CG2 THR A 94 36.541 23.708 -14.432 1.00 0.00 C ATOM 0 H THR A 94 38.836 23.103 -13.615 1.00 0.00 H new ATOM 0 HA THR A 94 38.336 22.600 -16.461 1.00 0.00 H new ATOM 0 HB THR A 94 37.013 24.535 -16.360 1.00 0.00 H new ATOM 0 HG1 THR A 94 37.358 26.146 -14.713 1.00 0.00 H new ATOM 0 HG21 THR A 94 35.739 24.421 -14.240 1.00 0.00 H new ATOM 0 HG22 THR A 94 36.120 22.792 -14.846 1.00 0.00 H new ATOM 0 HG23 THR A 94 37.056 23.481 -13.499 1.00 0.00 H new ATOM 1025 N ALA A 95 40.869 24.244 -15.332 1.00 0.00 N ATOM 1026 CA ALA A 95 42.094 24.943 -15.704 1.00 0.00 C ATOM 1027 C ALA A 95 43.023 24.026 -16.487 1.00 0.00 C ATOM 1028 O ALA A 95 43.666 24.449 -17.448 1.00 0.00 O ATOM 1029 CB ALA A 95 42.811 25.447 -14.451 1.00 0.00 C ATOM 0 H ALA A 95 40.840 23.923 -14.364 1.00 0.00 H new ATOM 0 HA ALA A 95 41.824 25.790 -16.335 1.00 0.00 H new ATOM 0 HB1 ALA A 95 43.724 25.967 -14.739 1.00 0.00 H new ATOM 0 HB2 ALA A 95 42.159 26.132 -13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 95 43.062 24.602 -13.810 1.00 0.00 H new ATOM 1035 N CYS A 96 43.090 22.762 -16.072 1.00 0.00 N ATOM 1036 CA CYS A 96 43.947 21.784 -16.740 1.00 0.00 C ATOM 1037 C CYS A 96 43.152 20.997 -17.776 1.00 0.00 C ATOM 1038 O CYS A 96 43.708 20.505 -18.757 1.00 0.00 O ATOM 1039 CB CYS A 96 44.536 20.818 -15.709 1.00 0.00 C ATOM 1040 SG CYS A 96 45.508 21.743 -14.494 1.00 0.00 S ATOM 0 H CYS A 96 42.564 22.392 -15.280 1.00 0.00 H new ATOM 0 HA CYS A 96 44.753 22.318 -17.243 1.00 0.00 H new ATOM 0 HB2 CYS A 96 43.736 20.272 -15.209 1.00 0.00 H new ATOM 0 HB3 CYS A 96 45.165 20.079 -16.206 1.00 0.00 H new ATOM 1045 N GLN A 97 41.848 20.880 -17.550 1.00 0.00 N ATOM 1046 CA GLN A 97 40.986 20.148 -18.469 1.00 0.00 C ATOM 1047 C GLN A 97 41.284 18.656 -18.408 1.00 0.00 C ATOM 1048 O GLN A 97 41.136 17.943 -19.400 1.00 0.00 O ATOM 1049 CB GLN A 97 41.188 20.667 -19.909 1.00 0.00 C ATOM 1050 CG GLN A 97 39.851 20.665 -20.656 1.00 0.00 C ATOM 1051 CD GLN A 97 39.258 19.260 -20.655 1.00 0.00 C ATOM 1052 OE1 GLN A 97 38.668 18.835 -19.660 1.00 0.00 O ATOM 1053 NE2 GLN A 97 39.385 18.508 -21.713 1.00 0.00 N ATOM 0 H GLN A 97 41.368 21.280 -16.744 1.00 0.00 H new ATOM 0 HA GLN A 97 39.949 20.308 -18.173 1.00 0.00 H new ATOM 0 HB2 GLN A 97 41.601 21.676 -19.887 1.00 0.00 H new ATOM 0 HB3 GLN A 97 41.908 20.039 -20.433 1.00 0.00 H new ATOM 0 HG2 GLN A 97 39.159 21.362 -20.183 1.00 0.00 H new ATOM 0 HG3 GLN A 97 39.996 21.007 -21.681 1.00 0.00 H new ATOM 0 HE21 GLN A 97 39.874 18.863 -22.535 1.00 0.00 H new ATOM 0 HE22 GLN A 97 38.995 17.565 -21.718 1.00 0.00 H new ATOM 1062 N GLN A 98 41.705 18.187 -17.242 1.00 0.00 N ATOM 1063 CA GLN A 98 42.022 16.771 -17.066 1.00 0.00 C ATOM 1064 C GLN A 98 41.572 16.292 -15.691 1.00 0.00 C ATOM 1065 O GLN A 98 41.351 17.093 -14.785 1.00 0.00 O ATOM 1066 CB GLN A 98 43.527 16.549 -17.224 1.00 0.00 C ATOM 1067 CG GLN A 98 43.928 16.766 -18.685 1.00 0.00 C ATOM 1068 CD GLN A 98 45.433 16.579 -18.844 1.00 0.00 C ATOM 1069 OE1 GLN A 98 46.217 17.363 -18.306 1.00 0.00 O ATOM 1070 NE2 GLN A 98 45.887 15.581 -19.552 1.00 0.00 N ATOM 0 H GLN A 98 41.835 18.759 -16.407 1.00 0.00 H new ATOM 0 HA GLN A 98 41.492 16.199 -17.828 1.00 0.00 H new ATOM 0 HB2 GLN A 98 44.076 17.236 -16.580 1.00 0.00 H new ATOM 0 HB3 GLN A 98 43.791 15.539 -16.910 1.00 0.00 H new ATOM 0 HG2 GLN A 98 43.396 16.063 -19.325 1.00 0.00 H new ATOM 0 HG3 GLN A 98 43.642 17.768 -19.005 1.00 0.00 H new ATOM 0 HE21 GLN A 98 45.236 14.933 -19.996 1.00 0.00 H new ATOM 0 HE22 GLN A 98 46.893 15.449 -19.661 1.00 0.00 H new ATOM 1079 N THR A 99 41.435 14.978 -15.549 1.00 0.00 N ATOM 1080 CA THR A 99 41.007 14.397 -14.283 1.00 0.00 C ATOM 1081 C THR A 99 42.148 14.408 -13.279 1.00 0.00 C ATOM 1082 O THR A 99 43.277 14.038 -13.604 1.00 0.00 O ATOM 1083 CB THR A 99 40.533 12.959 -14.499 1.00 0.00 C ATOM 1084 OG1 THR A 99 39.619 12.924 -15.584 1.00 0.00 O ATOM 1085 CG2 THR A 99 39.842 12.460 -13.234 1.00 0.00 C ATOM 0 H THR A 99 41.613 14.300 -16.290 1.00 0.00 H new ATOM 0 HA THR A 99 40.184 14.995 -13.892 1.00 0.00 H new ATOM 0 HB THR A 99 41.387 12.320 -14.723 1.00 0.00 H new ATOM 0 HG1 THR A 99 39.315 12.003 -15.726 1.00 0.00 H new ATOM 0 HG21 THR A 99 39.503 11.435 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 99 40.543 12.491 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 99 38.985 13.097 -13.012 1.00 0.00 H new ATOM 1093 N LYS A 100 41.854 14.838 -12.053 1.00 0.00 N ATOM 1094 CA LYS A 100 42.873 14.893 -11.009 1.00 0.00 C ATOM 1095 C LYS A 100 42.322 14.355 -9.689 1.00 0.00 C ATOM 1096 O LYS A 100 41.164 14.592 -9.346 1.00 0.00 O ATOM 1097 CB LYS A 100 43.338 16.345 -10.819 1.00 0.00 C ATOM 1098 CG LYS A 100 44.803 16.372 -10.335 1.00 0.00 C ATOM 1099 CD LYS A 100 45.738 16.338 -11.548 1.00 0.00 C ATOM 1100 CE LYS A 100 47.188 16.359 -11.078 1.00 0.00 C ATOM 1101 NZ LYS A 100 48.092 16.368 -12.261 1.00 0.00 N1+ ATOM 0 H LYS A 100 40.928 15.150 -11.761 1.00 0.00 H new ATOM 0 HA LYS A 100 43.717 14.273 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 100 43.247 16.890 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 100 42.698 16.849 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 100 44.987 17.270 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 100 44.999 15.519 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 100 45.550 15.442 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 100 45.542 17.194 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 100 47.369 17.239 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 100 47.393 15.487 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 49.082 16.382 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 47.925 15.515 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 47.902 17.213 -12.837 1.00 0.00 H new ATOM 1115 N GLY A 101 43.163 13.634 -8.953 1.00 0.00 N ATOM 1116 CA GLY A 101 42.751 13.073 -7.675 1.00 0.00 C ATOM 1117 C GLY A 101 42.446 14.176 -6.669 1.00 0.00 C ATOM 1118 O GLY A 101 42.751 15.345 -6.899 1.00 0.00 O ATOM 0 H GLY A 101 44.126 13.427 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 101 41.868 12.449 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 101 43.539 12.428 -7.286 1.00 0.00 H new ATOM 1122 N ILE A 102 41.841 13.790 -5.552 1.00 0.00 N ATOM 1123 CA ILE A 102 41.494 14.747 -4.507 1.00 0.00 C ATOM 1124 C ILE A 102 42.703 15.068 -3.634 1.00 0.00 C ATOM 1125 O ILE A 102 42.758 16.117 -2.992 1.00 0.00 O ATOM 1126 CB ILE A 102 40.375 14.187 -3.632 1.00 0.00 C ATOM 1127 CG1 ILE A 102 40.769 12.798 -3.128 1.00 0.00 C ATOM 1128 CG2 ILE A 102 39.078 14.095 -4.450 1.00 0.00 C ATOM 1129 CD1 ILE A 102 39.814 12.376 -2.011 1.00 0.00 C ATOM 0 H ILE A 102 41.581 12.825 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 102 41.158 15.664 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 102 40.214 14.847 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 102 40.732 12.078 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 102 41.795 12.810 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 102 38.280 13.695 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 102 38.799 15.088 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 102 39.233 13.437 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 102 40.092 11.386 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 102 39.874 13.092 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 102 38.794 12.349 -2.395 1.00 0.00 H new ATOM 1141 N ASN A 103 43.663 14.153 -3.608 1.00 0.00 N ATOM 1142 CA ASN A 103 44.860 14.337 -2.796 1.00 0.00 C ATOM 1143 C ASN A 103 45.580 15.624 -3.177 1.00 0.00 C ATOM 1144 O ASN A 103 46.043 16.363 -2.306 1.00 0.00 O ATOM 1145 CB ASN A 103 45.806 13.150 -2.991 1.00 0.00 C ATOM 1146 CG ASN A 103 45.977 12.857 -4.478 1.00 0.00 C ATOM 1147 OD1 ASN A 103 45.435 13.573 -5.320 1.00 0.00 O ATOM 1148 ND2 ASN A 103 46.700 11.835 -4.854 1.00 0.00 N ATOM 0 H ASN A 103 43.638 13.281 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 103 44.558 14.401 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 103 46.775 13.369 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 103 45.410 12.271 -2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 103 46.816 11.630 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 103 47.148 11.243 -4.155 1.00 0.00 H new ATOM 1155 N GLU A 104 45.677 15.886 -4.472 1.00 0.00 N ATOM 1156 CA GLU A 104 46.351 17.089 -4.953 1.00 0.00 C ATOM 1157 C GLU A 104 45.392 18.269 -4.991 1.00 0.00 C ATOM 1158 O GLU A 104 45.551 19.180 -5.803 1.00 0.00 O ATOM 1159 CB GLU A 104 46.919 16.846 -6.350 1.00 0.00 C ATOM 1160 CG GLU A 104 48.043 15.811 -6.266 1.00 0.00 C ATOM 1161 CD GLU A 104 48.634 15.574 -7.650 1.00 0.00 C ATOM 1162 OE1 GLU A 104 48.333 16.350 -8.538 1.00 0.00 O ATOM 1163 OE2 GLU A 104 49.372 14.615 -7.802 1.00 0.00 O1- ATOM 0 H GLU A 104 45.301 15.287 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 104 47.163 17.323 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 104 46.133 16.493 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 104 47.298 17.778 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.819 16.159 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 104 47.658 14.875 -5.860 1.00 0.00 H new ATOM 1170 N PHE A 105 44.398 18.252 -4.105 1.00 0.00 N ATOM 1171 CA PHE A 105 43.412 19.333 -4.036 1.00 0.00 C ATOM 1172 C PHE A 105 43.232 19.802 -2.599 1.00 0.00 C ATOM 1173 O PHE A 105 43.269 19.008 -1.661 1.00 0.00 O ATOM 1174 CB PHE A 105 42.060 18.842 -4.604 1.00 0.00 C ATOM 1175 CG PHE A 105 41.918 19.275 -6.047 1.00 0.00 C ATOM 1176 CD1 PHE A 105 42.772 18.754 -7.028 1.00 0.00 C ATOM 1177 CD2 PHE A 105 40.934 20.206 -6.401 1.00 0.00 C ATOM 1178 CE1 PHE A 105 42.641 19.167 -8.351 1.00 0.00 C ATOM 1179 CE2 PHE A 105 40.810 20.616 -7.727 1.00 0.00 C ATOM 1180 CZ PHE A 105 41.659 20.096 -8.701 1.00 0.00 C ATOM 0 H PHE A 105 44.253 17.505 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 105 43.771 20.173 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 105 41.999 17.756 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 105 41.239 19.246 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 105 43.530 18.034 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 105 40.272 20.606 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 105 43.300 18.768 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 105 40.055 21.338 -8.000 1.00 0.00 H new ATOM 0 HZ PHE A 105 41.558 20.412 -9.729 1.00 0.00 H new ATOM 1190 N SER A 106 43.026 21.103 -2.446 1.00 0.00 N ATOM 1191 CA SER A 106 42.821 21.686 -1.124 1.00 0.00 C ATOM 1192 C SER A 106 41.373 21.505 -0.681 1.00 0.00 C ATOM 1193 O SER A 106 40.540 21.022 -1.443 1.00 0.00 O ATOM 1194 CB SER A 106 43.176 23.173 -1.143 1.00 0.00 C ATOM 1195 OG SER A 106 44.589 23.314 -1.115 1.00 0.00 O ATOM 0 H SER A 106 42.996 21.773 -3.215 1.00 0.00 H new ATOM 0 HA SER A 106 43.472 21.173 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 106 42.769 23.645 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 106 42.731 23.677 -0.285 1.00 0.00 H new ATOM 0 HG SER A 106 44.901 23.658 -1.978 1.00 0.00 H new ATOM 1201 N LYS A 107 41.088 21.894 0.559 1.00 0.00 N ATOM 1202 CA LYS A 107 39.741 21.774 1.106 1.00 0.00 C ATOM 1203 C LYS A 107 38.756 22.632 0.315 1.00 0.00 C ATOM 1204 O LYS A 107 37.599 22.257 0.130 1.00 0.00 O ATOM 1205 CB LYS A 107 39.727 22.203 2.572 1.00 0.00 C ATOM 1206 CG LYS A 107 40.535 21.205 3.404 1.00 0.00 C ATOM 1207 CD LYS A 107 40.525 21.639 4.872 1.00 0.00 C ATOM 1208 CE LYS A 107 41.329 20.641 5.705 1.00 0.00 C ATOM 1209 NZ LYS A 107 41.341 21.078 7.129 1.00 0.00 N1+ ATOM 0 H LYS A 107 41.771 22.294 1.202 1.00 0.00 H new ATOM 0 HA LYS A 107 39.437 20.730 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 107 40.149 23.203 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 107 38.701 22.251 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 107 40.111 20.206 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 107 41.560 21.154 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 107 40.952 22.637 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 107 39.500 21.693 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 107 40.891 19.646 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 107 42.349 20.573 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 41.888 20.399 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 41.778 22.019 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 40.366 21.121 7.487 1.00 0.00 H new ATOM 1223 N ALA A 108 39.216 23.796 -0.131 1.00 0.00 N ATOM 1224 CA ALA A 108 38.361 24.704 -0.896 1.00 0.00 C ATOM 1225 C ALA A 108 38.353 24.321 -2.375 1.00 0.00 C ATOM 1226 O ALA A 108 37.301 24.252 -3.004 1.00 0.00 O ATOM 1227 CB ALA A 108 38.861 26.137 -0.739 1.00 0.00 C ATOM 0 H ALA A 108 40.167 24.133 0.021 1.00 0.00 H new ATOM 0 HA ALA A 108 37.344 24.628 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 108 38.222 26.810 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 108 38.835 26.418 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 108 39.884 26.208 -1.108 1.00 0.00 H new ATOM 1233 N GLN A 109 39.535 24.078 -2.917 1.00 0.00 N ATOM 1234 CA GLN A 109 39.669 23.696 -4.320 1.00 0.00 C ATOM 1235 C GLN A 109 38.699 22.573 -4.665 1.00 0.00 C ATOM 1236 O GLN A 109 38.252 22.456 -5.798 1.00 0.00 O ATOM 1237 CB GLN A 109 41.100 23.241 -4.615 1.00 0.00 C ATOM 1238 CG GLN A 109 42.033 24.452 -4.599 1.00 0.00 C ATOM 1239 CD GLN A 109 43.484 23.992 -4.687 1.00 0.00 C ATOM 1240 OE1 GLN A 109 44.291 24.316 -3.817 1.00 0.00 O ATOM 1241 NE2 GLN A 109 43.865 23.244 -5.689 1.00 0.00 N ATOM 0 H GLN A 109 40.418 24.138 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 109 39.436 24.568 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 109 41.421 22.511 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 109 41.143 22.748 -5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 109 41.801 25.112 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 109 41.880 25.028 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 109 43.194 22.976 -6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 109 44.833 22.928 -5.750 1.00 0.00 H new ATOM 1250 N ARG A 110 38.377 21.744 -3.679 1.00 0.00 N ATOM 1251 CA ARG A 110 37.450 20.633 -3.893 1.00 0.00 C ATOM 1252 C ARG A 110 36.030 21.048 -3.539 1.00 0.00 C ATOM 1253 O ARG A 110 35.076 20.328 -3.829 1.00 0.00 O ATOM 1254 CB ARG A 110 37.867 19.430 -3.035 1.00 0.00 C ATOM 1255 CG ARG A 110 37.691 19.766 -1.553 1.00 0.00 C ATOM 1256 CD ARG A 110 38.188 18.601 -0.701 1.00 0.00 C ATOM 1257 NE ARG A 110 37.960 18.882 0.713 1.00 0.00 N ATOM 1258 CZ ARG A 110 38.577 18.181 1.658 1.00 0.00 C ATOM 1259 NH1 ARG A 110 39.401 17.225 1.327 1.00 0.00 N ATOM 1260 NH2 ARG A 110 38.359 18.449 2.917 1.00 0.00 N1+ ATOM 0 H ARG A 110 38.740 21.817 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 110 37.482 20.354 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 110 37.264 18.560 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 110 38.906 19.170 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 110 38.245 20.672 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 110 36.641 19.966 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 110 37.671 17.685 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 110 39.250 18.436 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 110 37.317 19.628 0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 110 39.571 17.016 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 110 39.875 16.686 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 110 37.715 19.197 3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 110 38.833 17.911 3.642 1.00 0.00 H new ATOM 1274 N HIS A 111 35.894 22.211 -2.904 1.00 0.00 N ATOM 1275 CA HIS A 111 34.580 22.717 -2.502 1.00 0.00 C ATOM 1276 C HIS A 111 34.359 24.116 -3.055 1.00 0.00 C ATOM 1277 O HIS A 111 33.499 24.852 -2.577 1.00 0.00 O ATOM 1278 CB HIS A 111 34.474 22.749 -0.975 1.00 0.00 C ATOM 1279 CG HIS A 111 33.064 23.091 -0.583 1.00 0.00 C ATOM 1280 ND1 HIS A 111 32.038 22.161 -0.628 1.00 0.00 N ATOM 1281 CD2 HIS A 111 32.491 24.259 -0.142 1.00 0.00 C ATOM 1282 CE1 HIS A 111 30.912 22.776 -0.223 1.00 0.00 C ATOM 1283 NE2 HIS A 111 31.133 24.057 0.086 1.00 0.00 N ATOM 0 H HIS A 111 36.674 22.820 -2.657 1.00 0.00 H new ATOM 0 HA HIS A 111 33.816 22.051 -2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 111 34.755 21.782 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 111 35.166 23.485 -0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 111 33.015 25.192 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 111 29.948 22.294 -0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 111 30.452 24.740 0.418 1.00 0.00 H new ATOM 1291 N VAL A 112 35.146 24.485 -4.066 1.00 0.00 N ATOM 1292 CA VAL A 112 35.029 25.805 -4.674 1.00 0.00 C ATOM 1293 C VAL A 112 34.178 25.738 -5.937 1.00 0.00 C ATOM 1294 O VAL A 112 33.962 24.665 -6.498 1.00 0.00 O ATOM 1295 CB VAL A 112 36.421 26.338 -5.017 1.00 0.00 C ATOM 1296 CG1 VAL A 112 37.075 25.445 -6.066 1.00 0.00 C ATOM 1297 CG2 VAL A 112 36.309 27.749 -5.569 1.00 0.00 C ATOM 0 H VAL A 112 35.866 23.891 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 112 34.546 26.476 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 112 37.028 26.344 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 112 38.066 25.831 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 112 37.165 24.431 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 112 36.462 25.434 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 112 37.303 28.125 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 112 35.695 27.740 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 112 35.849 28.396 -4.822 1.00 0.00 H new ATOM 1307 N LEU A 113 33.702 26.892 -6.379 1.00 0.00 N ATOM 1308 CA LEU A 113 32.874 26.957 -7.576 1.00 0.00 C ATOM 1309 C LEU A 113 33.647 26.497 -8.800 1.00 0.00 C ATOM 1310 O LEU A 113 33.103 25.816 -9.666 1.00 0.00 O ATOM 1311 CB LEU A 113 32.386 28.394 -7.790 1.00 0.00 C ATOM 1312 CG LEU A 113 31.199 28.688 -6.848 1.00 0.00 C ATOM 1313 CD1 LEU A 113 31.110 30.194 -6.589 1.00 0.00 C ATOM 1314 CD2 LEU A 113 29.890 28.207 -7.494 1.00 0.00 C ATOM 0 H LEU A 113 33.873 27.792 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 113 32.021 26.293 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 113 33.197 29.096 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 113 32.082 28.534 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 113 31.353 28.162 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 113 30.271 30.400 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 113 32.034 30.539 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 113 30.961 30.717 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 113 29.055 28.417 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 113 29.738 28.728 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 113 29.947 27.134 -7.677 1.00 0.00 H new ATOM 1326 N ASP A 114 34.917 26.873 -8.866 1.00 0.00 N ATOM 1327 CA ASP A 114 35.769 26.498 -9.992 1.00 0.00 C ATOM 1328 C ASP A 114 37.003 25.760 -9.494 1.00 0.00 C ATOM 1329 O ASP A 114 38.064 26.352 -9.371 1.00 0.00 O ATOM 1330 CB ASP A 114 36.197 27.744 -10.763 1.00 0.00 C ATOM 1331 CG ASP A 114 34.972 28.597 -11.079 1.00 0.00 C ATOM 1332 OD1 ASP A 114 34.084 28.096 -11.749 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 34.937 29.733 -10.640 1.00 0.00 O ATOM 0 H ASP A 114 35.382 27.437 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 114 35.202 25.842 -10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 114 36.912 28.320 -10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 114 36.701 27.457 -11.686 1.00 0.00 H new ATOM 1338 N PRO A 115 36.877 24.489 -9.211 1.00 0.00 N ATOM 1339 CA PRO A 115 38.011 23.644 -8.718 1.00 0.00 C ATOM 1340 C PRO A 115 39.233 23.731 -9.622 1.00 0.00 C ATOM 1341 O PRO A 115 39.131 23.581 -10.840 1.00 0.00 O ATOM 1342 CB PRO A 115 37.432 22.218 -8.736 1.00 0.00 C ATOM 1343 CG PRO A 115 35.952 22.387 -8.641 1.00 0.00 C ATOM 1344 CD PRO A 115 35.630 23.720 -9.312 1.00 0.00 C ATOM 0 HA PRO A 115 38.359 23.965 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 115 37.709 21.693 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 115 37.814 21.629 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 115 35.434 21.566 -9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 115 35.626 22.386 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 115 35.332 23.580 -10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 115 34.807 24.229 -8.810 1.00 0.00 H new ATOM 1352 N ARG A 116 40.390 23.977 -9.015 1.00 0.00 N ATOM 1353 CA ARG A 116 41.637 24.081 -9.777 1.00 0.00 C ATOM 1354 C ARG A 116 42.795 23.496 -8.979 1.00 0.00 C ATOM 1355 O ARG A 116 43.129 23.990 -7.903 1.00 0.00 O ATOM 1356 CB ARG A 116 41.937 25.562 -10.126 1.00 0.00 C ATOM 1357 CG ARG A 116 40.649 26.372 -10.074 1.00 0.00 C ATOM 1358 CD ARG A 116 40.928 27.810 -10.483 1.00 0.00 C ATOM 1359 NE ARG A 116 41.362 27.857 -11.870 1.00 0.00 N ATOM 1360 CZ ARG A 116 41.708 29.004 -12.442 1.00 0.00 C ATOM 1361 NH1 ARG A 116 41.653 30.113 -11.759 1.00 0.00 N ATOM 1362 NH2 ARG A 116 42.098 29.020 -13.687 1.00 0.00 N1+ ATOM 0 H ARG A 116 40.494 24.107 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 116 41.521 23.516 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 116 42.664 25.971 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 116 42.380 25.629 -11.119 1.00 0.00 H new ATOM 0 HG2 ARG A 116 39.905 25.933 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 116 40.232 26.345 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 116 40.030 28.414 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 116 41.696 28.238 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 116 41.401 26.994 -12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 116 41.345 30.098 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 116 41.918 30.995 -12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 116 42.137 28.151 -14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 116 42.364 29.901 -14.127 1.00 0.00 H new ATOM 1376 N CYS A 117 43.408 22.449 -9.515 1.00 0.00 N ATOM 1377 CA CYS A 117 44.536 21.815 -8.842 1.00 0.00 C ATOM 1378 C CYS A 117 45.487 22.870 -8.270 1.00 0.00 C ATOM 1379 O CYS A 117 45.531 24.005 -8.737 1.00 0.00 O ATOM 1380 CB CYS A 117 45.297 20.911 -9.835 1.00 0.00 C ATOM 1381 SG CYS A 117 44.165 20.310 -11.115 1.00 0.00 S ATOM 0 H CYS A 117 43.147 22.023 -10.405 1.00 0.00 H new ATOM 0 HA CYS A 117 44.153 21.210 -8.020 1.00 0.00 H new ATOM 0 HB2 CYS A 117 46.115 21.467 -10.293 1.00 0.00 H new ATOM 0 HB3 CYS A 117 45.741 20.068 -9.306 1.00 0.00 H new ATOM 1386 N GLN A 118 46.244 22.479 -7.257 1.00 0.00 N ATOM 1387 CA GLN A 118 47.191 23.391 -6.631 1.00 0.00 C ATOM 1388 C GLN A 118 48.255 23.832 -7.631 1.00 0.00 C ATOM 1389 O GLN A 118 49.052 24.726 -7.353 1.00 0.00 O ATOM 1390 CB GLN A 118 47.856 22.720 -5.432 1.00 0.00 C ATOM 1391 CG GLN A 118 46.836 22.570 -4.302 1.00 0.00 C ATOM 1392 CD GLN A 118 47.465 21.843 -3.123 1.00 0.00 C ATOM 1393 OE1 GLN A 118 48.652 21.515 -3.157 1.00 0.00 O ATOM 1394 NE2 GLN A 118 46.740 21.574 -2.072 1.00 0.00 N ATOM 0 H GLN A 118 46.223 21.543 -6.852 1.00 0.00 H new ATOM 0 HA GLN A 118 46.644 24.271 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 118 48.245 21.743 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 118 48.705 23.314 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 118 46.483 23.552 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 118 45.966 22.018 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 118 45.757 21.847 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 118 47.156 21.091 -1.276 1.00 0.00 H new ATOM 1403 N ILE A 119 48.275 23.183 -8.790 1.00 0.00 N ATOM 1404 CA ILE A 119 49.254 23.509 -9.825 1.00 0.00 C ATOM 1405 C ILE A 119 48.739 24.617 -10.740 1.00 0.00 C ATOM 1406 O ILE A 119 49.521 25.368 -11.323 1.00 0.00 O ATOM 1407 CB ILE A 119 49.555 22.265 -10.661 1.00 0.00 C ATOM 1408 CG1 ILE A 119 50.185 21.195 -9.767 1.00 0.00 C ATOM 1409 CG2 ILE A 119 50.529 22.626 -11.785 1.00 0.00 C ATOM 1410 CD1 ILE A 119 50.252 19.868 -10.526 1.00 0.00 C ATOM 0 H ILE A 119 47.630 22.433 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 119 50.162 23.858 -9.334 1.00 0.00 H new ATOM 0 HB ILE A 119 48.629 21.884 -11.092 1.00 0.00 H new ATOM 0 HG12 ILE A 119 51.186 21.503 -9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 119 49.598 21.076 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 119 50.743 21.738 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.083 23.391 -12.421 1.00 0.00 H new ATOM 0 HG23 ILE A 119 51.456 23.006 -11.355 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.701 19.106 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 119 49.245 19.559 -10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.857 19.993 -11.424 1.00 0.00 H new ATOM 1422 N CYS A 120 47.421 24.706 -10.868 1.00 0.00 N ATOM 1423 CA CYS A 120 46.804 25.717 -11.728 1.00 0.00 C ATOM 1424 C CYS A 120 46.675 27.047 -10.987 1.00 0.00 C ATOM 1425 O CYS A 120 46.652 28.111 -11.604 1.00 0.00 O ATOM 1426 CB CYS A 120 45.402 25.237 -12.200 1.00 0.00 C ATOM 1427 SG CYS A 120 44.960 23.710 -11.342 1.00 0.00 S ATOM 0 H CYS A 120 46.758 24.095 -10.391 1.00 0.00 H new ATOM 0 HA CYS A 120 47.443 25.863 -12.599 1.00 0.00 H new ATOM 0 HB2 CYS A 120 44.657 26.007 -11.999 1.00 0.00 H new ATOM 0 HB3 CYS A 120 45.407 25.072 -13.277 1.00 0.00 H new ATOM 1432 N VAL A 121 46.584 26.975 -9.665 1.00 0.00 N ATOM 1433 CA VAL A 121 46.446 28.178 -8.855 1.00 0.00 C ATOM 1434 C VAL A 121 47.797 28.858 -8.670 1.00 0.00 C ATOM 1435 O VAL A 121 47.870 30.068 -8.458 1.00 0.00 O ATOM 1436 CB VAL A 121 45.856 27.823 -7.489 1.00 0.00 C ATOM 1437 CG1 VAL A 121 44.570 27.014 -7.681 1.00 0.00 C ATOM 1438 CG2 VAL A 121 46.867 26.995 -6.696 1.00 0.00 C ATOM 0 H VAL A 121 46.603 26.104 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 121 45.776 28.866 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 121 45.629 28.739 -6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 121 44.150 26.761 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 121 43.849 27.606 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 121 44.794 26.098 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 121 46.447 26.742 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 121 47.095 26.079 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 121 47.781 27.572 -6.557 1.00 0.00 H new ATOM 1448 N HIS A 122 48.866 28.071 -8.749 1.00 0.00 N ATOM 1449 CA HIS A 122 50.214 28.604 -8.586 1.00 0.00 C ATOM 1450 C HIS A 122 50.752 29.111 -9.915 1.00 0.00 C ATOM 1451 O HIS A 122 51.897 29.556 -10.001 1.00 0.00 O ATOM 1452 CB HIS A 122 51.146 27.516 -8.046 1.00 0.00 C ATOM 1453 CG HIS A 122 50.758 27.180 -6.633 1.00 0.00 C ATOM 1454 ND1 HIS A 122 50.220 28.121 -5.770 1.00 0.00 N ATOM 1455 CD2 HIS A 122 50.829 26.012 -5.915 1.00 0.00 C ATOM 1456 CE1 HIS A 122 49.987 27.510 -4.595 1.00 0.00 C ATOM 1457 NE2 HIS A 122 50.342 26.223 -4.628 1.00 0.00 N ATOM 0 H HIS A 122 48.825 27.067 -8.924 1.00 0.00 H new ATOM 0 HA HIS A 122 50.171 29.433 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 122 51.085 26.626 -8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 122 52.180 27.859 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 122 51.205 25.072 -6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 122 49.564 28.000 -3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 122 50.271 25.541 -3.873 1.00 0.00 H new ATOM 1465 N SER A 123 49.920 29.047 -10.951 1.00 0.00 N ATOM 1466 CA SER A 123 50.321 29.511 -12.279 1.00 0.00 C ATOM 1467 C SER A 123 49.845 30.940 -12.514 1.00 0.00 C ATOM 1468 O SER A 123 50.550 31.744 -13.125 1.00 0.00 O ATOM 1469 CB SER A 123 49.732 28.591 -13.347 1.00 0.00 C ATOM 1470 OG SER A 123 50.455 27.368 -13.355 1.00 0.00 O ATOM 0 H SER A 123 48.969 28.681 -10.899 1.00 0.00 H new ATOM 0 HA SER A 123 51.409 29.491 -12.340 1.00 0.00 H new ATOM 0 HB2 SER A 123 48.678 28.404 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 123 49.787 29.067 -14.326 1.00 0.00 H new ATOM 0 HG SER A 123 50.084 26.764 -12.678 1.00 0.00 H new ATOM 1476 N GLN A 124 48.644 31.252 -12.032 1.00 0.00 N ATOM 1477 CA GLN A 124 48.082 32.593 -12.202 1.00 0.00 C ATOM 1478 C GLN A 124 47.309 33.008 -10.951 1.00 0.00 C ATOM 1479 O GLN A 124 46.248 33.622 -11.038 1.00 0.00 O ATOM 1480 CB GLN A 124 47.154 32.617 -13.421 1.00 0.00 C ATOM 1481 CG GLN A 124 46.961 34.062 -13.893 1.00 0.00 C ATOM 1482 CD GLN A 124 45.996 34.105 -15.068 1.00 0.00 C ATOM 1483 OE1 GLN A 124 44.837 33.714 -14.934 1.00 0.00 O ATOM 1484 NE2 GLN A 124 46.407 34.559 -16.219 1.00 0.00 N ATOM 0 H GLN A 124 48.044 30.602 -11.524 1.00 0.00 H new ATOM 0 HA GLN A 124 48.898 33.298 -12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 124 47.578 32.015 -14.225 1.00 0.00 H new ATOM 0 HB3 GLN A 124 46.191 32.176 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 124 46.577 34.672 -13.075 1.00 0.00 H new ATOM 0 HG3 GLN A 124 47.921 34.488 -14.185 1.00 0.00 H new ATOM 0 HE21 GLN A 124 47.369 34.882 -16.326 1.00 0.00 H new ATOM 0 HE22 GLN A 124 45.767 34.591 -17.013 1.00 0.00 H new ATOM 1493 N ARG A 125 47.844 32.662 -9.789 1.00 0.00 N ATOM 1494 CA ARG A 125 47.190 33.004 -8.532 1.00 0.00 C ATOM 1495 C ARG A 125 45.741 32.526 -8.535 1.00 0.00 C ATOM 1496 O ARG A 125 45.453 31.394 -8.154 1.00 0.00 O ATOM 1497 CB ARG A 125 47.226 34.518 -8.321 1.00 0.00 C ATOM 1498 CG ARG A 125 48.659 34.957 -8.019 1.00 0.00 C ATOM 1499 CD ARG A 125 48.709 36.476 -7.868 1.00 0.00 C ATOM 1500 NE ARG A 125 50.065 36.904 -7.529 1.00 0.00 N ATOM 1501 CZ ARG A 125 50.976 37.120 -8.473 1.00 0.00 C ATOM 1502 NH1 ARG A 125 50.667 36.946 -9.729 1.00 0.00 N ATOM 1503 NH2 ARG A 125 52.179 37.503 -8.142 1.00 0.00 N1+ ATOM 0 H ARG A 125 48.720 32.150 -9.689 1.00 0.00 H new ATOM 0 HA ARG A 125 47.724 32.510 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 125 46.858 35.029 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 125 46.568 34.797 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 125 49.011 34.479 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 125 49.324 34.639 -8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 125 48.391 36.952 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 125 48.014 36.795 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 125 50.317 37.039 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 125 49.727 36.644 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 125 51.365 37.112 -10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 125 52.420 37.636 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 125 52.879 37.669 -8.866 1.00 0.00 H new ATOM 1517 N ASN A 126 44.832 33.398 -8.966 1.00 0.00 N ATOM 1518 CA ASN A 126 43.412 33.056 -9.011 1.00 0.00 C ATOM 1519 C ASN A 126 42.722 33.786 -10.157 1.00 0.00 C ATOM 1520 O ASN A 126 41.979 33.143 -10.881 1.00 0.00 O ATOM 1521 CB ASN A 126 42.744 33.432 -7.688 1.00 0.00 C ATOM 1522 CG ASN A 126 43.231 32.511 -6.575 1.00 0.00 C ATOM 1523 OD1 ASN A 126 43.427 32.952 -5.443 1.00 0.00 O ATOM 1524 ND2 ASN A 126 43.437 31.247 -6.829 1.00 0.00 N ATOM 1525 OXT ASN A 126 42.948 34.977 -10.298 1.00 0.00 O ATOM 0 H ASN A 126 45.051 34.341 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 126 43.320 31.982 -9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 126 42.971 34.468 -7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 126 41.661 33.358 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 126 43.761 30.624 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 126 43.274 30.882 -7.768 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 20.820 8.672 -13.661 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 44.167 22.014 -12.647 1.00 0.00 ZN