USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=26 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 121:sc= -0.477! USER MOD Set 1.2: A 118 GLN : amide:sc= 0.442! C(o=-0.035!,f=-1.2!) USER MOD Set 2.1: A 98 GLN :FLIP amide:sc= -6.14! C(o=-13!,f=-9.8!) USER MOD Set 2.2: A 100 LYS NZ :NH3+ -170:sc= -3.65! (180deg=-1.29) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.976 (180deg=-2.79!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.26! C(o=-1.3!,f=-7.4!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -155:sc= 0 (180deg=-0.273) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.147) USER MOD Single : A 53 SER OG : rot -110:sc= -2.32 USER MOD Single : A 54 TYR OH : rot -130:sc= -0.492 USER MOD Single : A 55 SER OG : rot 180:sc= -0.419 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= -2.76! C(o=-2.8!,f=-2.4!) USER MOD Single : A 60 SER OG : rot 92:sc= 0.759 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.199 (180deg=-1.09) USER MOD Single : A 62 THR OG1 : rot -66:sc= 0.432 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.11 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 180:sc= 0.00435 USER MOD Single : A 84 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.6!) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0149 (180deg=-0.321) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 88 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-2.1!) USER MOD Single : A 90 SER OG : rot 27:sc= 0.0143 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.233 K(o=-0.23,f=-1) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.129 F(o=-2.9!,f=-0.13) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0.709 K(o=0.71,f=-6!) USER MOD Single : A 111 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.12) USER MOD Single : A 122 HIS : no HE2:sc= 0.146 K(o=0.15,f=-5!) USER MOD Single : A 123 SER OG : rot 29:sc= 0.243 USER MOD Single : A 124 GLN : amide:sc=-0.00664 K(o=-0.0066,f=-1.1) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.911 F(o=-5.3!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -4.513 27.222 -7.637 1.00 0.00 N ATOM 2 CA MET A 31 -4.007 26.662 -8.921 1.00 0.00 C ATOM 3 C MET A 31 -2.484 26.738 -8.939 1.00 0.00 C ATOM 4 O MET A 31 -1.878 27.425 -8.117 1.00 0.00 O ATOM 5 CB MET A 31 -4.582 27.468 -10.088 1.00 0.00 C ATOM 6 CG MET A 31 -6.089 27.222 -10.183 1.00 0.00 C ATOM 7 SD MET A 31 -6.772 28.187 -11.553 1.00 0.00 S ATOM 8 CE MET A 31 -8.520 27.946 -11.151 1.00 0.00 C ATOM 0 HA MET A 31 -4.316 25.621 -9.017 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.384 28.530 -9.943 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.096 27.178 -11.019 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.286 26.161 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.574 27.504 -9.248 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.137 28.467 -11.883 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.754 26.882 -11.171 1.00 0.00 H new ATOM 0 HE3 MET A 31 -8.723 28.344 -10.157 1.00 0.00 H new ATOM 18 N GLY A 32 -1.872 26.027 -9.882 1.00 0.00 N ATOM 19 CA GLY A 32 -0.417 26.019 -9.999 1.00 0.00 C ATOM 20 C GLY A 32 0.196 24.957 -9.093 1.00 0.00 C ATOM 21 O GLY A 32 1.412 24.766 -9.077 1.00 0.00 O ATOM 0 H GLY A 32 -2.357 25.453 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.132 25.828 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.022 27.000 -9.735 1.00 0.00 H new ATOM 25 N LYS A 33 -0.653 24.269 -8.337 1.00 0.00 N ATOM 26 CA LYS A 33 -0.184 23.227 -7.433 1.00 0.00 C ATOM 27 C LYS A 33 0.423 22.069 -8.214 1.00 0.00 C ATOM 28 O LYS A 33 1.425 21.486 -7.799 1.00 0.00 O ATOM 29 CB LYS A 33 -1.342 22.713 -6.580 1.00 0.00 C ATOM 30 CG LYS A 33 -0.811 21.716 -5.546 1.00 0.00 C ATOM 31 CD LYS A 33 -1.965 21.256 -4.648 1.00 0.00 C ATOM 32 CE LYS A 33 -2.496 22.440 -3.815 1.00 0.00 C ATOM 33 NZ LYS A 33 -3.618 23.088 -4.550 1.00 0.00 N1+ ATOM 0 H LYS A 33 -1.663 24.413 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 33 0.582 23.656 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.836 23.545 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.089 22.234 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.361 20.859 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.029 22.180 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.768 20.842 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.625 20.460 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.837 22.091 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.698 23.161 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.352 24.061 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.822 22.550 -5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.464 23.106 -3.946 1.00 0.00 H new ATOM 47 N ASN A 34 -0.193 21.734 -9.343 1.00 0.00 N ATOM 48 CA ASN A 34 0.291 20.634 -10.173 1.00 0.00 C ATOM 49 C ASN A 34 1.382 21.120 -11.120 1.00 0.00 C ATOM 50 O ASN A 34 1.853 20.373 -11.977 1.00 0.00 O ATOM 51 CB ASN A 34 -0.865 20.049 -10.986 1.00 0.00 C ATOM 52 CG ASN A 34 -1.887 19.408 -10.054 1.00 0.00 C ATOM 53 OD1 ASN A 34 -1.604 18.387 -9.428 1.00 0.00 O ATOM 54 ND2 ASN A 34 -3.069 19.952 -9.922 1.00 0.00 N ATOM 0 H ASN A 34 -1.023 22.204 -9.704 1.00 0.00 H new ATOM 0 HA ASN A 34 0.705 19.865 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.340 20.834 -11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.487 19.307 -11.689 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.758 19.530 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.302 20.798 -10.442 1.00 0.00 H new ATOM 61 N ASP A 35 1.784 22.376 -10.956 1.00 0.00 N ATOM 62 CA ASP A 35 2.826 22.954 -11.796 1.00 0.00 C ATOM 63 C ASP A 35 4.156 22.242 -11.565 1.00 0.00 C ATOM 64 O ASP A 35 4.971 22.117 -12.480 1.00 0.00 O ATOM 65 CB ASP A 35 2.981 24.445 -11.491 1.00 0.00 C ATOM 66 CG ASP A 35 3.839 25.108 -12.565 1.00 0.00 C ATOM 67 OD1 ASP A 35 4.035 24.496 -13.601 1.00 0.00 O1- ATOM 68 OD2 ASP A 35 4.290 26.217 -12.332 1.00 0.00 O ATOM 0 H ASP A 35 1.406 23.010 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 35 2.536 22.828 -12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.001 24.921 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.441 24.579 -10.512 1.00 0.00 H new ATOM 73 N ASN A 36 4.370 21.783 -10.336 1.00 0.00 N ATOM 74 CA ASN A 36 5.608 21.090 -9.994 1.00 0.00 C ATOM 75 C ASN A 36 5.555 19.638 -10.454 1.00 0.00 C ATOM 76 O ASN A 36 6.391 18.823 -10.067 1.00 0.00 O ATOM 77 CB ASN A 36 5.834 21.139 -8.481 1.00 0.00 C ATOM 78 CG ASN A 36 4.730 20.365 -7.765 1.00 0.00 C ATOM 79 OD1 ASN A 36 3.903 19.722 -8.410 1.00 0.00 O ATOM 80 ND2 ASN A 36 4.673 20.388 -6.461 1.00 0.00 N ATOM 0 H ASN A 36 3.708 21.877 -9.565 1.00 0.00 H new ATOM 0 HA ASN A 36 6.433 21.590 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.807 20.713 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.845 22.174 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.941 19.872 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.361 20.922 -5.930 1.00 0.00 H new ATOM 87 N ASP A 37 4.563 19.322 -11.283 1.00 0.00 N ATOM 88 CA ASP A 37 4.406 17.962 -11.794 1.00 0.00 C ATOM 89 C ASP A 37 5.256 17.758 -13.043 1.00 0.00 C ATOM 90 O ASP A 37 5.074 16.788 -13.778 1.00 0.00 O ATOM 91 CB ASP A 37 2.937 17.694 -12.125 1.00 0.00 C ATOM 92 CG ASP A 37 2.734 16.214 -12.431 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.632 15.441 -12.138 1.00 0.00 O ATOM 94 OD2 ASP A 37 1.685 15.876 -12.953 1.00 0.00 O1- ATOM 0 H ASP A 37 3.860 19.983 -11.614 1.00 0.00 H new ATOM 0 HA ASP A 37 4.737 17.265 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.307 17.990 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.633 18.296 -12.981 1.00 0.00 H new ATOM 99 N ALA A 38 6.184 18.678 -13.272 1.00 0.00 N ATOM 100 CA ALA A 38 7.062 18.593 -14.435 1.00 0.00 C ATOM 101 C ALA A 38 7.958 17.367 -14.338 1.00 0.00 C ATOM 102 O ALA A 38 8.339 16.956 -13.243 1.00 0.00 O ATOM 103 CB ALA A 38 7.929 19.847 -14.537 1.00 0.00 C ATOM 0 H ALA A 38 6.349 19.487 -12.673 1.00 0.00 H new ATOM 0 HA ALA A 38 6.439 18.511 -15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.579 19.770 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.290 20.724 -14.637 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.538 19.943 -13.638 1.00 0.00 H new ATOM 109 N LEU A 39 8.292 16.783 -15.490 1.00 0.00 N ATOM 110 CA LEU A 39 9.149 15.597 -15.527 1.00 0.00 C ATOM 111 C LEU A 39 10.419 15.890 -16.304 1.00 0.00 C ATOM 112 O LEU A 39 10.371 16.453 -17.397 1.00 0.00 O ATOM 113 CB LEU A 39 8.409 14.439 -16.190 1.00 0.00 C ATOM 114 CG LEU A 39 7.131 14.121 -15.389 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.138 13.376 -16.279 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.471 13.255 -14.175 1.00 0.00 C ATOM 0 H LEU A 39 7.984 17.110 -16.406 1.00 0.00 H new ATOM 0 HA LEU A 39 9.408 15.326 -14.504 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.152 14.698 -17.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.052 13.560 -16.234 1.00 0.00 H new ATOM 0 HG LEU A 39 6.688 15.057 -15.048 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.236 13.153 -15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.881 13.997 -17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.587 12.446 -16.626 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.560 13.037 -13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.924 12.322 -14.509 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.171 13.788 -13.532 1.00 0.00 H new ATOM 128 N ILE A 40 11.557 15.504 -15.734 1.00 0.00 N ATOM 129 CA ILE A 40 12.853 15.729 -16.378 1.00 0.00 C ATOM 130 C ILE A 40 13.420 14.415 -16.899 1.00 0.00 C ATOM 131 O ILE A 40 13.307 13.378 -16.249 1.00 0.00 O ATOM 132 CB ILE A 40 13.837 16.356 -15.382 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.425 17.810 -15.112 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.254 16.323 -15.959 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.070 17.862 -14.390 1.00 0.00 C ATOM 0 H ILE A 40 11.611 15.035 -14.830 1.00 0.00 H new ATOM 0 HA ILE A 40 12.708 16.411 -17.216 1.00 0.00 H new ATOM 0 HB ILE A 40 13.819 15.790 -14.451 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.185 18.303 -14.506 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.363 18.357 -16.053 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.947 16.770 -15.247 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.545 15.290 -16.150 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.280 16.886 -16.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.795 18.901 -14.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.309 17.389 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.144 17.334 -13.440 1.00 0.00 H new ATOM 147 N MET A 41 14.035 14.470 -18.076 1.00 0.00 N ATOM 148 CA MET A 41 14.629 13.279 -18.681 1.00 0.00 C ATOM 149 C MET A 41 16.120 13.206 -18.361 1.00 0.00 C ATOM 150 O MET A 41 16.878 14.126 -18.671 1.00 0.00 O ATOM 151 CB MET A 41 14.435 13.320 -20.196 1.00 0.00 C ATOM 152 CG MET A 41 14.884 11.990 -20.798 1.00 0.00 C ATOM 153 SD MET A 41 14.566 11.996 -22.579 1.00 0.00 S ATOM 154 CE MET A 41 14.794 10.222 -22.852 1.00 0.00 C ATOM 0 H MET A 41 14.136 15.321 -18.629 1.00 0.00 H new ATOM 0 HA MET A 41 14.136 12.397 -18.272 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.388 13.506 -20.435 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.010 14.140 -20.626 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.946 11.833 -20.608 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.350 11.166 -20.325 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.642 9.994 -23.907 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.805 9.936 -22.561 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.073 9.666 -22.253 1.00 0.00 H new ATOM 164 N CYS A 42 16.529 12.111 -17.731 1.00 0.00 N ATOM 165 CA CYS A 42 17.930 11.926 -17.363 1.00 0.00 C ATOM 166 C CYS A 42 18.793 11.684 -18.599 1.00 0.00 C ATOM 167 O CYS A 42 18.417 10.942 -19.503 1.00 0.00 O ATOM 168 CB CYS A 42 18.073 10.736 -16.409 1.00 0.00 C ATOM 169 SG CYS A 42 19.749 10.717 -15.698 1.00 0.00 S ATOM 0 H CYS A 42 15.915 11.341 -17.465 1.00 0.00 H new ATOM 0 HA CYS A 42 18.269 12.837 -16.869 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.331 10.804 -15.614 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.883 9.805 -16.943 1.00 0.00 H new ATOM 174 N MET A 43 19.953 12.321 -18.636 1.00 0.00 N ATOM 175 CA MET A 43 20.862 12.164 -19.767 1.00 0.00 C ATOM 176 C MET A 43 21.699 10.900 -19.606 1.00 0.00 C ATOM 177 O MET A 43 22.608 10.648 -20.396 1.00 0.00 O ATOM 178 CB MET A 43 21.784 13.378 -19.871 1.00 0.00 C ATOM 179 CG MET A 43 22.550 13.551 -18.560 1.00 0.00 C ATOM 180 SD MET A 43 23.492 15.097 -18.614 1.00 0.00 S ATOM 181 CE MET A 43 24.959 14.508 -17.735 1.00 0.00 C ATOM 0 H MET A 43 20.288 12.947 -17.904 1.00 0.00 H new ATOM 0 HA MET A 43 20.268 12.082 -20.678 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.482 13.248 -20.698 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.201 14.274 -20.084 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.856 13.564 -17.719 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.223 12.707 -18.405 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.467 15.352 -17.268 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.661 13.794 -16.968 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.635 14.023 -18.439 1.00 0.00 H new ATOM 191 N ARG A 44 21.385 10.105 -18.578 1.00 0.00 N ATOM 192 CA ARG A 44 22.113 8.860 -18.324 1.00 0.00 C ATOM 193 C ARG A 44 21.148 7.677 -18.293 1.00 0.00 C ATOM 194 O ARG A 44 20.872 7.063 -19.321 1.00 0.00 O ATOM 195 CB ARG A 44 22.861 8.965 -16.991 1.00 0.00 C ATOM 196 CG ARG A 44 23.713 7.709 -16.791 1.00 0.00 C ATOM 197 CD ARG A 44 24.404 7.779 -15.432 1.00 0.00 C ATOM 198 NE ARG A 44 25.303 8.924 -15.383 1.00 0.00 N ATOM 199 CZ ARG A 44 25.933 9.252 -14.260 1.00 0.00 C ATOM 200 NH1 ARG A 44 25.754 8.543 -13.180 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.730 10.285 -14.237 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.637 10.300 -17.913 1.00 0.00 H new ATOM 0 HA ARG A 44 22.831 8.699 -19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.493 9.853 -16.984 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.152 9.072 -16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.087 6.818 -16.848 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.455 7.629 -17.585 1.00 0.00 H new ATOM 0 HD2 ARG A 44 23.659 7.859 -14.641 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.963 6.861 -15.252 1.00 0.00 H new ATOM 0 HE ARG A 44 25.451 9.483 -16.224 1.00 0.00 H new ATOM 0 HH11 ARG A 44 25.130 7.736 -13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 44 26.238 8.795 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 44 26.869 10.841 -15.081 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.214 10.537 -13.375 1.00 0.00 H new ATOM 215 N CYS A 45 20.653 7.358 -17.102 1.00 0.00 N ATOM 216 CA CYS A 45 19.738 6.239 -16.938 1.00 0.00 C ATOM 217 C CYS A 45 18.434 6.504 -17.677 1.00 0.00 C ATOM 218 O CYS A 45 17.608 5.608 -17.836 1.00 0.00 O ATOM 219 CB CYS A 45 19.469 6.000 -15.456 1.00 0.00 C ATOM 220 SG CYS A 45 18.438 7.332 -14.834 1.00 0.00 S ATOM 0 H CYS A 45 20.870 7.858 -16.240 1.00 0.00 H new ATOM 0 HA CYS A 45 20.197 5.346 -17.362 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.973 5.040 -15.312 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.408 5.960 -14.904 1.00 0.00 H new ATOM 225 N ARG A 46 18.265 7.734 -18.143 1.00 0.00 N ATOM 226 CA ARG A 46 17.064 8.101 -18.884 1.00 0.00 C ATOM 227 C ARG A 46 15.799 7.816 -18.088 1.00 0.00 C ATOM 228 O ARG A 46 14.778 7.422 -18.649 1.00 0.00 O ATOM 229 CB ARG A 46 17.027 7.347 -20.214 1.00 0.00 C ATOM 230 CG ARG A 46 18.123 7.884 -21.139 1.00 0.00 C ATOM 231 CD ARG A 46 18.055 7.159 -22.484 1.00 0.00 C ATOM 232 NE ARG A 46 18.342 5.739 -22.308 1.00 0.00 N ATOM 233 CZ ARG A 46 19.592 5.292 -22.240 1.00 0.00 C ATOM 234 NH1 ARG A 46 20.588 6.128 -22.330 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.820 4.018 -22.081 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.939 8.490 -18.023 1.00 0.00 H new ATOM 0 HA ARG A 46 17.101 9.174 -19.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.172 6.280 -20.043 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.050 7.465 -20.684 1.00 0.00 H new ATOM 0 HG2 ARG A 46 17.997 8.957 -21.285 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.102 7.737 -20.684 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.066 7.285 -22.924 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.771 7.599 -23.179 1.00 0.00 H new ATOM 0 HE ARG A 46 17.569 5.077 -22.236 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.408 7.124 -22.453 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.547 5.786 -22.278 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.039 3.365 -22.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.779 3.674 -22.029 1.00 0.00 H new ATOM 249 N LYS A 47 15.870 8.025 -16.780 1.00 0.00 N ATOM 250 CA LYS A 47 14.714 7.801 -15.915 1.00 0.00 C ATOM 251 C LYS A 47 13.855 9.054 -15.860 1.00 0.00 C ATOM 252 O LYS A 47 14.242 10.055 -15.259 1.00 0.00 O ATOM 253 CB LYS A 47 15.167 7.421 -14.498 1.00 0.00 C ATOM 254 CG LYS A 47 15.554 5.938 -14.459 1.00 0.00 C ATOM 255 CD LYS A 47 16.016 5.568 -13.050 1.00 0.00 C ATOM 256 CE LYS A 47 16.434 4.098 -13.021 1.00 0.00 C ATOM 257 NZ LYS A 47 16.761 3.703 -11.623 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.708 8.347 -16.295 1.00 0.00 H new ATOM 0 HA LYS A 47 14.128 6.980 -16.328 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.016 8.036 -14.200 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.366 7.617 -13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.703 5.321 -14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.349 5.740 -15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.852 6.201 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.213 5.743 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.630 3.472 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.299 3.942 -13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.046 2.703 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.541 4.292 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.925 3.837 -11.020 1.00 0.00 H new ATOM 271 N VAL A 48 12.687 8.992 -16.490 1.00 0.00 N ATOM 272 CA VAL A 48 11.779 10.134 -16.507 1.00 0.00 C ATOM 273 C VAL A 48 10.954 10.166 -15.228 1.00 0.00 C ATOM 274 O VAL A 48 10.180 9.250 -14.954 1.00 0.00 O ATOM 275 CB VAL A 48 10.850 10.038 -17.714 1.00 0.00 C ATOM 276 CG1 VAL A 48 9.881 11.220 -17.707 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.678 10.067 -18.998 1.00 0.00 C ATOM 0 H VAL A 48 12.348 8.171 -16.992 1.00 0.00 H new ATOM 0 HA VAL A 48 12.366 11.050 -16.575 1.00 0.00 H new ATOM 0 HB VAL A 48 10.287 9.106 -17.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.217 11.152 -18.569 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.290 11.200 -16.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.444 12.152 -17.755 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.015 9.998 -19.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.241 10.999 -19.047 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.369 9.224 -19.004 1.00 0.00 H new ATOM 287 N LYS A 49 11.126 11.235 -14.452 1.00 0.00 N ATOM 288 CA LYS A 49 10.403 11.390 -13.194 1.00 0.00 C ATOM 289 C LYS A 49 10.255 12.863 -12.839 1.00 0.00 C ATOM 290 O LYS A 49 10.777 13.734 -13.526 1.00 0.00 O ATOM 291 CB LYS A 49 11.143 10.639 -12.068 1.00 0.00 C ATOM 292 CG LYS A 49 10.442 9.308 -11.747 1.00 0.00 C ATOM 293 CD LYS A 49 9.250 9.577 -10.821 1.00 0.00 C ATOM 294 CE LYS A 49 8.421 8.307 -10.681 1.00 0.00 C ATOM 295 NZ LYS A 49 9.209 7.288 -9.935 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.759 12.004 -14.673 1.00 0.00 H new ATOM 0 HA LYS A 49 9.406 10.965 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.174 10.449 -12.368 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.180 11.261 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.103 8.831 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.141 8.621 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.602 9.904 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.636 10.382 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.491 8.522 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.150 7.925 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.594 6.486 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.994 6.953 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.590 7.712 -9.065 1.00 0.00 H new ATOM 309 N GLY A 50 9.535 13.123 -11.752 1.00 0.00 N ATOM 310 CA GLY A 50 9.309 14.491 -11.294 1.00 0.00 C ATOM 311 C GLY A 50 10.303 14.879 -10.208 1.00 0.00 C ATOM 312 O GLY A 50 11.287 14.177 -9.971 1.00 0.00 O ATOM 0 H GLY A 50 9.098 12.406 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.399 15.178 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.293 14.586 -10.911 1.00 0.00 H new ATOM 316 N ILE A 51 10.046 16.009 -9.558 1.00 0.00 N ATOM 317 CA ILE A 51 10.933 16.480 -8.499 1.00 0.00 C ATOM 318 C ILE A 51 11.173 15.380 -7.460 1.00 0.00 C ATOM 319 O ILE A 51 11.996 15.535 -6.558 1.00 0.00 O ATOM 320 CB ILE A 51 10.312 17.703 -7.815 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.341 18.346 -6.878 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.085 17.274 -7.001 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.835 19.711 -6.423 1.00 0.00 C ATOM 0 H ILE A 51 9.242 16.609 -9.742 1.00 0.00 H new ATOM 0 HA ILE A 51 11.890 16.751 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 51 10.010 18.423 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.512 17.704 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.297 18.453 -7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.647 18.146 -6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.349 16.819 -7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.386 16.551 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.567 20.167 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.686 20.352 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.889 19.591 -5.895 1.00 0.00 H new ATOM 335 N ASP A 52 10.455 14.270 -7.592 1.00 0.00 N ATOM 336 CA ASP A 52 10.603 13.165 -6.661 1.00 0.00 C ATOM 337 C ASP A 52 11.940 12.463 -6.860 1.00 0.00 C ATOM 338 O ASP A 52 12.675 12.226 -5.905 1.00 0.00 O ATOM 339 CB ASP A 52 9.465 12.165 -6.868 1.00 0.00 C ATOM 340 CG ASP A 52 9.626 10.990 -5.912 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.442 11.093 -5.013 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.930 10.005 -6.092 1.00 0.00 O1- ATOM 0 H ASP A 52 9.769 14.115 -8.331 1.00 0.00 H new ATOM 0 HA ASP A 52 10.568 13.561 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.505 12.653 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.465 11.809 -7.898 1.00 0.00 H new ATOM 347 N SER A 53 12.244 12.134 -8.110 1.00 0.00 N ATOM 348 CA SER A 53 13.502 11.454 -8.432 1.00 0.00 C ATOM 349 C SER A 53 14.595 12.464 -8.757 1.00 0.00 C ATOM 350 O SER A 53 15.717 12.089 -9.095 1.00 0.00 O ATOM 351 CB SER A 53 13.308 10.507 -9.613 1.00 0.00 C ATOM 352 OG SER A 53 12.032 9.893 -9.503 1.00 0.00 O ATOM 0 H SER A 53 11.645 12.323 -8.914 1.00 0.00 H new ATOM 0 HA SER A 53 13.807 10.878 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.383 11.055 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.092 9.750 -9.622 1.00 0.00 H new ATOM 0 HG SER A 53 12.143 8.944 -9.285 1.00 0.00 H new ATOM 358 N TYR A 54 14.259 13.747 -8.658 1.00 0.00 N ATOM 359 CA TYR A 54 15.216 14.820 -8.945 1.00 0.00 C ATOM 360 C TYR A 54 15.287 15.802 -7.783 1.00 0.00 C ATOM 361 O TYR A 54 14.267 16.182 -7.210 1.00 0.00 O ATOM 362 CB TYR A 54 14.796 15.558 -10.235 1.00 0.00 C ATOM 363 CG TYR A 54 15.492 14.944 -11.432 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.186 13.640 -11.832 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.453 15.683 -12.132 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.839 13.075 -12.929 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.106 15.118 -13.224 1.00 0.00 C ATOM 368 CZ TYR A 54 16.799 13.814 -13.626 1.00 0.00 C ATOM 369 OH TYR A 54 17.445 13.257 -14.709 1.00 0.00 O ATOM 0 H TYR A 54 13.333 14.073 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 54 16.204 14.380 -9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.715 15.499 -10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.050 16.615 -10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.444 13.070 -11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.688 16.691 -11.825 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.603 12.068 -13.239 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.850 15.687 -13.761 1.00 0.00 H new ATOM 0 HH TYR A 54 18.413 13.376 -14.610 1.00 0.00 H new ATOM 379 N SER A 55 16.505 16.212 -7.449 1.00 0.00 N ATOM 380 CA SER A 55 16.710 17.155 -6.363 1.00 0.00 C ATOM 381 C SER A 55 16.321 18.566 -6.802 1.00 0.00 C ATOM 382 O SER A 55 16.168 18.838 -7.993 1.00 0.00 O ATOM 383 CB SER A 55 18.174 17.138 -5.925 1.00 0.00 C ATOM 384 OG SER A 55 18.466 18.336 -5.218 1.00 0.00 O ATOM 0 H SER A 55 17.360 15.906 -7.914 1.00 0.00 H new ATOM 0 HA SER A 55 16.080 16.860 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.366 16.272 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.825 17.047 -6.795 1.00 0.00 H new ATOM 0 HG SER A 55 19.404 18.328 -4.934 1.00 0.00 H new ATOM 390 N LYS A 56 16.158 19.452 -5.829 1.00 0.00 N ATOM 391 CA LYS A 56 15.786 20.831 -6.116 1.00 0.00 C ATOM 392 C LYS A 56 16.882 21.534 -6.911 1.00 0.00 C ATOM 393 O LYS A 56 16.600 22.355 -7.784 1.00 0.00 O ATOM 394 CB LYS A 56 15.535 21.590 -4.812 1.00 0.00 C ATOM 395 CG LYS A 56 14.276 21.042 -4.138 1.00 0.00 C ATOM 396 CD LYS A 56 14.055 21.761 -2.806 1.00 0.00 C ATOM 397 CE LYS A 56 12.798 21.209 -2.130 1.00 0.00 C ATOM 398 NZ LYS A 56 12.585 21.908 -0.831 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.277 19.242 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 56 14.873 20.819 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.392 21.485 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.418 22.655 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.412 21.184 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.377 19.970 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.920 21.622 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.950 22.833 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.932 21.350 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.902 20.137 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.731 21.533 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.407 21.752 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.468 22.927 -1.000 1.00 0.00 H new ATOM 412 N THR A 57 18.132 21.224 -6.587 1.00 0.00 N ATOM 413 CA THR A 57 19.260 21.853 -7.265 1.00 0.00 C ATOM 414 C THR A 57 19.228 21.570 -8.761 1.00 0.00 C ATOM 415 O THR A 57 19.313 22.488 -9.571 1.00 0.00 O ATOM 416 CB THR A 57 20.573 21.322 -6.682 1.00 0.00 C ATOM 417 OG1 THR A 57 20.542 21.429 -5.266 1.00 0.00 O ATOM 418 CG2 THR A 57 21.747 22.133 -7.234 1.00 0.00 C ATOM 0 H THR A 57 18.389 20.549 -5.867 1.00 0.00 H new ATOM 0 HA THR A 57 19.190 22.930 -7.112 1.00 0.00 H new ATOM 0 HB THR A 57 20.696 20.276 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.382 21.087 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.680 21.753 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.772 22.044 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.627 23.181 -6.958 1.00 0.00 H new ATOM 426 N GLN A 58 19.102 20.305 -9.116 1.00 0.00 N ATOM 427 CA GLN A 58 19.061 19.908 -10.524 1.00 0.00 C ATOM 428 C GLN A 58 17.701 20.232 -11.139 1.00 0.00 C ATOM 429 O GLN A 58 17.617 20.705 -12.273 1.00 0.00 O ATOM 430 CB GLN A 58 19.353 18.394 -10.657 1.00 0.00 C ATOM 431 CG GLN A 58 19.126 17.709 -9.309 1.00 0.00 C ATOM 432 CD GLN A 58 19.167 16.200 -9.476 1.00 0.00 C ATOM 433 OE1 GLN A 58 18.289 15.622 -10.113 1.00 0.00 O ATOM 434 NE2 GLN A 58 20.142 15.525 -8.936 1.00 0.00 N ATOM 0 H GLN A 58 19.026 19.531 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 58 19.825 20.469 -11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.705 17.953 -11.414 1.00 0.00 H new ATOM 0 HB3 GLN A 58 20.380 18.239 -10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 58 19.890 18.025 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.163 18.011 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 58 20.868 16.011 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 58 20.180 14.511 -9.041 1.00 0.00 H new ATOM 443 N TRP A 59 16.643 19.958 -10.391 1.00 0.00 N ATOM 444 CA TRP A 59 15.297 20.210 -10.877 1.00 0.00 C ATOM 445 C TRP A 59 15.105 21.686 -11.197 1.00 0.00 C ATOM 446 O TRP A 59 14.479 22.033 -12.193 1.00 0.00 O ATOM 447 CB TRP A 59 14.271 19.784 -9.823 1.00 0.00 C ATOM 448 CG TRP A 59 12.890 20.015 -10.347 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.211 19.161 -11.146 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.009 21.151 -10.117 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.969 19.706 -11.430 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.799 20.933 -10.817 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.143 22.343 -9.380 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.758 21.861 -10.785 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.096 23.279 -9.346 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.906 23.038 -10.046 1.00 0.00 C ATOM 0 H TRP A 59 16.690 19.564 -9.451 1.00 0.00 H new ATOM 0 HA TRP A 59 15.151 19.629 -11.788 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.405 18.731 -9.574 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.422 20.350 -8.904 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.577 18.210 -11.504 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.267 19.257 -12.019 1.00 0.00 H new ATOM 0 HE3 TRP A 59 13.056 22.539 -8.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.844 21.671 -11.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.209 24.190 -8.777 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.104 23.761 -10.014 1.00 0.00 H new ATOM 467 N SER A 60 15.643 22.547 -10.340 1.00 0.00 N ATOM 468 CA SER A 60 15.518 23.988 -10.532 1.00 0.00 C ATOM 469 C SER A 60 16.551 24.490 -11.533 1.00 0.00 C ATOM 470 O SER A 60 16.504 25.641 -11.966 1.00 0.00 O ATOM 471 CB SER A 60 15.711 24.711 -9.198 1.00 0.00 C ATOM 472 OG SER A 60 14.719 24.271 -8.278 1.00 0.00 O ATOM 0 H SER A 60 16.168 22.274 -9.509 1.00 0.00 H new ATOM 0 HA SER A 60 14.521 24.196 -10.920 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.706 24.509 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.638 25.789 -9.341 1.00 0.00 H new ATOM 0 HG SER A 60 15.063 23.510 -7.765 1.00 0.00 H new ATOM 478 N LYS A 61 17.479 23.615 -11.901 1.00 0.00 N ATOM 479 CA LYS A 61 18.519 23.976 -12.857 1.00 0.00 C ATOM 480 C LYS A 61 17.984 23.929 -14.282 1.00 0.00 C ATOM 481 O LYS A 61 18.401 24.710 -15.138 1.00 0.00 O ATOM 482 CB LYS A 61 19.699 23.026 -12.725 1.00 0.00 C ATOM 483 CG LYS A 61 20.839 23.499 -13.624 1.00 0.00 C ATOM 484 CD LYS A 61 22.087 22.610 -13.388 1.00 0.00 C ATOM 485 CE LYS A 61 23.078 23.336 -12.474 1.00 0.00 C ATOM 486 NZ LYS A 61 23.537 24.588 -13.141 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.533 22.657 -11.555 1.00 0.00 H new ATOM 0 HA LYS A 61 18.844 24.993 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 61 20.033 22.986 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.399 22.016 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.536 23.449 -14.670 1.00 0.00 H new ATOM 0 HG3 LYS A 61 21.076 24.541 -13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.790 21.663 -12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.562 22.375 -14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.606 23.571 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.930 22.692 -12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.523 24.783 -12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.475 24.474 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.934 25.381 -12.843 1.00 0.00 H new ATOM 500 N THR A 62 17.067 23.002 -14.533 1.00 0.00 N ATOM 501 CA THR A 62 16.492 22.852 -15.861 1.00 0.00 C ATOM 502 C THR A 62 15.610 24.040 -16.208 1.00 0.00 C ATOM 503 O THR A 62 14.881 24.011 -17.198 1.00 0.00 O ATOM 504 CB THR A 62 15.664 21.566 -15.933 1.00 0.00 C ATOM 505 OG1 THR A 62 14.506 21.708 -15.121 1.00 0.00 O ATOM 506 CG2 THR A 62 16.499 20.385 -15.430 1.00 0.00 C ATOM 0 H THR A 62 16.708 22.347 -13.838 1.00 0.00 H new ATOM 0 HA THR A 62 17.310 22.801 -16.579 1.00 0.00 H new ATOM 0 HB THR A 62 15.368 21.382 -16.966 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.773 21.782 -14.181 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.906 19.472 -15.483 1.00 0.00 H new ATOM 0 HG22 THR A 62 17.388 20.277 -16.051 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.798 20.564 -14.397 1.00 0.00 H new ATOM 514 N PHE A 63 15.678 25.084 -15.389 1.00 0.00 N ATOM 515 CA PHE A 63 14.879 26.289 -15.607 1.00 0.00 C ATOM 516 C PHE A 63 15.782 27.509 -15.708 1.00 0.00 C ATOM 517 O PHE A 63 16.844 27.564 -15.089 1.00 0.00 O ATOM 518 CB PHE A 63 13.906 26.483 -14.443 1.00 0.00 C ATOM 519 CG PHE A 63 12.884 25.376 -14.449 1.00 0.00 C ATOM 520 CD1 PHE A 63 11.709 25.517 -15.187 1.00 0.00 C ATOM 521 CD2 PHE A 63 13.118 24.209 -13.717 1.00 0.00 C ATOM 522 CE1 PHE A 63 10.759 24.484 -15.194 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.173 23.176 -13.717 1.00 0.00 C ATOM 524 CZ PHE A 63 10.991 23.313 -14.458 1.00 0.00 C ATOM 0 H PHE A 63 16.279 25.122 -14.566 1.00 0.00 H new ATOM 0 HA PHE A 63 14.323 26.173 -16.538 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.449 26.485 -13.498 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.410 27.450 -14.528 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.530 26.420 -15.752 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.031 24.104 -13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.849 24.591 -15.766 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.354 22.276 -13.148 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.260 22.518 -14.462 1.00 0.00 H new ATOM 534 N THR A 64 15.351 28.485 -16.499 1.00 0.00 N ATOM 535 CA THR A 64 16.119 29.716 -16.692 1.00 0.00 C ATOM 536 C THR A 64 15.237 30.927 -16.458 1.00 0.00 C ATOM 537 O THR A 64 14.014 30.836 -16.513 1.00 0.00 O ATOM 538 CB THR A 64 16.694 29.757 -18.119 1.00 0.00 C ATOM 539 OG1 THR A 64 15.731 29.247 -19.031 1.00 0.00 O ATOM 540 CG2 THR A 64 17.969 28.911 -18.194 1.00 0.00 C ATOM 0 H THR A 64 14.474 28.451 -17.019 1.00 0.00 H new ATOM 0 HA THR A 64 16.939 29.734 -15.974 1.00 0.00 H new ATOM 0 HB THR A 64 16.935 30.788 -18.379 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.095 29.274 -19.940 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.369 28.945 -19.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.709 29.306 -17.498 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.737 27.879 -17.930 1.00 0.00 H new ATOM 548 N PHE A 65 15.868 32.059 -16.179 1.00 0.00 N ATOM 549 CA PHE A 65 15.133 33.300 -15.930 1.00 0.00 C ATOM 550 C PHE A 65 15.326 34.263 -17.093 1.00 0.00 C ATOM 551 O PHE A 65 16.436 34.729 -17.351 1.00 0.00 O ATOM 552 CB PHE A 65 15.635 33.944 -14.622 1.00 0.00 C ATOM 553 CG PHE A 65 14.482 34.618 -13.910 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.398 33.845 -13.471 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.487 35.999 -13.696 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.322 34.451 -12.821 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.410 36.607 -13.041 1.00 0.00 C ATOM 558 CZ PHE A 65 12.328 35.832 -12.603 1.00 0.00 C ATOM 0 H PHE A 65 16.882 32.148 -16.119 1.00 0.00 H new ATOM 0 HA PHE A 65 14.071 33.075 -15.834 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.078 33.184 -13.978 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.416 34.672 -14.840 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.396 32.778 -13.636 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.321 36.596 -14.035 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.486 33.854 -12.487 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.413 37.674 -12.873 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.498 36.302 -12.097 1.00 0.00 H new ATOM 568 N VAL A 66 14.234 34.561 -17.790 1.00 0.00 N ATOM 569 CA VAL A 66 14.279 35.471 -18.931 1.00 0.00 C ATOM 570 C VAL A 66 13.124 36.462 -18.875 1.00 0.00 C ATOM 571 O VAL A 66 12.042 36.143 -18.384 1.00 0.00 O ATOM 572 CB VAL A 66 14.219 34.671 -20.233 1.00 0.00 C ATOM 573 CG1 VAL A 66 15.220 33.512 -20.168 1.00 0.00 C ATOM 574 CG2 VAL A 66 12.805 34.112 -20.426 1.00 0.00 C ATOM 0 H VAL A 66 13.308 34.186 -17.586 1.00 0.00 H new ATOM 0 HA VAL A 66 15.214 36.030 -18.894 1.00 0.00 H new ATOM 0 HB VAL A 66 14.470 35.323 -21.070 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.177 32.942 -21.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.226 33.908 -20.031 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.969 32.861 -19.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.763 33.542 -21.354 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.554 33.461 -19.589 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.092 34.935 -20.473 1.00 0.00 H new ATOM 584 N ARG A 67 13.363 37.665 -19.380 1.00 0.00 N ATOM 585 CA ARG A 67 12.335 38.695 -19.383 1.00 0.00 C ATOM 586 C ARG A 67 11.792 38.915 -17.978 1.00 0.00 C ATOM 587 O ARG A 67 10.710 39.473 -17.801 1.00 0.00 O ATOM 588 CB ARG A 67 11.191 38.290 -20.318 1.00 0.00 C ATOM 589 CG ARG A 67 11.700 38.246 -21.762 1.00 0.00 C ATOM 590 CD ARG A 67 10.574 37.774 -22.684 1.00 0.00 C ATOM 591 NE ARG A 67 9.485 38.744 -22.686 1.00 0.00 N ATOM 592 CZ ARG A 67 8.337 38.489 -23.302 1.00 0.00 C ATOM 593 NH1 ARG A 67 8.167 37.352 -23.920 1.00 0.00 N ATOM 594 NH2 ARG A 67 7.377 39.374 -23.290 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.253 37.950 -19.790 1.00 0.00 H new ATOM 0 HA ARG A 67 12.781 39.625 -19.737 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.800 37.314 -20.030 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.369 39.001 -20.233 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.045 39.234 -22.068 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.554 37.572 -21.838 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.955 37.642 -23.697 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.205 36.803 -22.353 1.00 0.00 H new ATOM 0 HE ARG A 67 9.608 39.635 -22.205 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.916 36.660 -23.930 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.285 37.156 -24.393 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.509 40.263 -22.807 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.496 39.177 -23.764 1.00 0.00 H new ATOM 608 N GLY A 68 12.554 38.478 -16.982 1.00 0.00 N ATOM 609 CA GLY A 68 12.140 38.640 -15.596 1.00 0.00 C ATOM 610 C GLY A 68 11.080 37.614 -15.222 1.00 0.00 C ATOM 611 O GLY A 68 10.285 37.837 -14.308 1.00 0.00 O ATOM 0 H GLY A 68 13.453 38.013 -17.107 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.003 38.532 -14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.748 39.646 -15.445 1.00 0.00 H new ATOM 615 N ARG A 69 11.062 36.494 -15.940 1.00 0.00 N ATOM 616 CA ARG A 69 10.081 35.438 -15.683 1.00 0.00 C ATOM 617 C ARG A 69 10.761 34.076 -15.661 1.00 0.00 C ATOM 618 O ARG A 69 11.882 33.921 -16.144 1.00 0.00 O ATOM 619 CB ARG A 69 9.010 35.452 -16.773 1.00 0.00 C ATOM 620 CG ARG A 69 8.342 36.826 -16.806 1.00 0.00 C ATOM 621 CD ARG A 69 7.315 36.869 -17.940 1.00 0.00 C ATOM 622 NE ARG A 69 6.199 35.977 -17.643 1.00 0.00 N ATOM 623 CZ ARG A 69 5.161 36.387 -16.920 1.00 0.00 C ATOM 624 NH1 ARG A 69 5.129 37.609 -16.460 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.175 35.571 -16.668 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.711 36.293 -16.701 1.00 0.00 H new ATOM 0 HA ARG A 69 9.619 35.620 -14.713 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.457 35.229 -17.742 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.267 34.678 -16.579 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.855 37.028 -15.852 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.092 37.603 -16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.951 37.888 -18.072 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.786 36.575 -18.878 1.00 0.00 H new ATOM 0 HE ARG A 69 6.215 35.020 -17.997 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.900 38.248 -16.655 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.333 37.924 -15.905 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.199 34.616 -17.026 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.380 35.888 -16.113 1.00 0.00 H new ATOM 639 N THR A 70 10.075 33.090 -15.093 1.00 0.00 N ATOM 640 CA THR A 70 10.617 31.738 -15.010 1.00 0.00 C ATOM 641 C THR A 70 10.284 30.960 -16.275 1.00 0.00 C ATOM 642 O THR A 70 9.124 30.878 -16.677 1.00 0.00 O ATOM 643 CB THR A 70 10.035 31.013 -13.796 1.00 0.00 C ATOM 644 OG1 THR A 70 10.316 31.760 -12.622 1.00 0.00 O ATOM 645 CG2 THR A 70 10.665 29.623 -13.681 1.00 0.00 C ATOM 0 H THR A 70 9.147 33.200 -14.685 1.00 0.00 H new ATOM 0 HA THR A 70 11.700 31.803 -14.905 1.00 0.00 H new ATOM 0 HB THR A 70 8.956 30.913 -13.914 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.942 31.298 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.250 29.106 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.450 29.050 -14.583 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.744 29.721 -13.562 1.00 0.00 H new ATOM 653 N VAL A 71 11.309 30.389 -16.905 1.00 0.00 N ATOM 654 CA VAL A 71 11.116 29.616 -18.133 1.00 0.00 C ATOM 655 C VAL A 71 11.898 28.307 -18.071 1.00 0.00 C ATOM 656 O VAL A 71 12.919 28.214 -17.394 1.00 0.00 O ATOM 657 CB VAL A 71 11.584 30.440 -19.336 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.661 31.648 -19.519 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.017 30.933 -19.100 1.00 0.00 C ATOM 0 H VAL A 71 12.277 30.446 -16.589 1.00 0.00 H new ATOM 0 HA VAL A 71 10.056 29.384 -18.238 1.00 0.00 H new ATOM 0 HB VAL A 71 11.556 29.816 -20.230 1.00 0.00 H new ATOM 0 HG11 VAL A 71 10.994 32.234 -20.375 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.641 31.304 -19.690 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.690 32.267 -18.622 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.346 31.519 -19.958 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.045 31.554 -18.204 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.679 30.077 -18.969 1.00 0.00 H new ATOM 669 N SER A 72 11.409 27.304 -18.785 1.00 0.00 N ATOM 670 CA SER A 72 12.068 26.003 -18.811 1.00 0.00 C ATOM 671 C SER A 72 13.273 26.034 -19.743 1.00 0.00 C ATOM 672 O SER A 72 13.368 26.890 -20.621 1.00 0.00 O ATOM 673 CB SER A 72 11.087 24.928 -19.275 1.00 0.00 C ATOM 674 OG SER A 72 11.014 24.943 -20.695 1.00 0.00 O ATOM 0 H SER A 72 10.563 27.363 -19.352 1.00 0.00 H new ATOM 0 HA SER A 72 12.409 25.769 -17.802 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.411 23.948 -18.926 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.101 25.109 -18.846 1.00 0.00 H new ATOM 0 HG SER A 72 10.387 24.254 -20.998 1.00 0.00 H new ATOM 680 N VAL A 73 14.191 25.089 -19.549 1.00 0.00 N ATOM 681 CA VAL A 73 15.387 25.015 -20.381 1.00 0.00 C ATOM 682 C VAL A 73 15.131 24.127 -21.598 1.00 0.00 C ATOM 683 O VAL A 73 14.596 23.025 -21.471 1.00 0.00 O ATOM 684 CB VAL A 73 16.553 24.452 -19.570 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.746 24.195 -20.494 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.958 25.460 -18.492 1.00 0.00 C ATOM 0 H VAL A 73 14.129 24.370 -18.828 1.00 0.00 H new ATOM 0 HA VAL A 73 15.638 26.020 -20.722 1.00 0.00 H new ATOM 0 HB VAL A 73 16.247 23.516 -19.102 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.576 23.793 -19.913 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.462 23.478 -21.264 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.051 25.130 -20.964 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.790 25.059 -17.913 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.261 26.395 -18.963 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.112 25.645 -17.831 1.00 0.00 H new ATOM 696 N SER A 74 15.506 24.619 -22.770 1.00 0.00 N ATOM 697 CA SER A 74 15.308 23.867 -24.002 1.00 0.00 C ATOM 698 C SER A 74 16.092 22.561 -23.975 1.00 0.00 C ATOM 699 O SER A 74 15.583 21.515 -24.376 1.00 0.00 O ATOM 700 CB SER A 74 15.758 24.699 -25.202 1.00 0.00 C ATOM 701 OG SER A 74 15.486 23.981 -26.399 1.00 0.00 O ATOM 0 H SER A 74 15.947 25.530 -22.894 1.00 0.00 H new ATOM 0 HA SER A 74 14.246 23.638 -24.090 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.237 25.656 -25.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.823 24.917 -25.129 1.00 0.00 H new ATOM 0 HG SER A 74 15.772 24.512 -27.171 1.00 0.00 H new ATOM 707 N ASP A 75 17.338 22.628 -23.509 1.00 0.00 N ATOM 708 CA ASP A 75 18.195 21.441 -23.444 1.00 0.00 C ATOM 709 C ASP A 75 18.864 21.331 -22.074 1.00 0.00 C ATOM 710 O ASP A 75 20.024 21.712 -21.909 1.00 0.00 O ATOM 711 CB ASP A 75 19.261 21.515 -24.529 1.00 0.00 C ATOM 712 CG ASP A 75 19.984 22.853 -24.467 1.00 0.00 C ATOM 713 OD1 ASP A 75 19.362 23.855 -24.783 1.00 0.00 O ATOM 714 OD2 ASP A 75 21.148 22.859 -24.107 1.00 0.00 O1- ATOM 0 H ASP A 75 17.776 23.485 -23.172 1.00 0.00 H new ATOM 0 HA ASP A 75 17.575 20.558 -23.600 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.975 20.701 -24.403 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.802 21.387 -25.509 1.00 0.00 H new ATOM 719 N PRO A 76 18.153 20.831 -21.093 1.00 0.00 N ATOM 720 CA PRO A 76 18.688 20.676 -19.714 1.00 0.00 C ATOM 721 C PRO A 76 19.574 19.444 -19.582 1.00 0.00 C ATOM 722 O PRO A 76 19.246 18.379 -20.101 1.00 0.00 O ATOM 723 CB PRO A 76 17.423 20.541 -18.854 1.00 0.00 C ATOM 724 CG PRO A 76 16.382 19.955 -19.763 1.00 0.00 C ATOM 725 CD PRO A 76 16.762 20.353 -21.194 1.00 0.00 C ATOM 0 HA PRO A 76 19.323 21.511 -19.418 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.600 19.896 -17.993 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.106 21.509 -18.467 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.347 18.870 -19.661 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.391 20.331 -19.508 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.683 19.505 -21.875 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.102 21.132 -21.577 1.00 0.00 H new ATOM 733 N LYS A 77 20.690 19.599 -18.876 1.00 0.00 N ATOM 734 CA LYS A 77 21.624 18.489 -18.665 1.00 0.00 C ATOM 735 C LYS A 77 21.801 18.209 -17.182 1.00 0.00 C ATOM 736 O LYS A 77 22.612 18.840 -16.508 1.00 0.00 O ATOM 737 CB LYS A 77 22.980 18.818 -19.288 1.00 0.00 C ATOM 738 CG LYS A 77 22.889 18.695 -20.809 1.00 0.00 C ATOM 739 CD LYS A 77 24.261 18.981 -21.423 1.00 0.00 C ATOM 740 CE LYS A 77 24.194 18.758 -22.930 1.00 0.00 C ATOM 741 NZ LYS A 77 25.535 19.022 -23.532 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.972 20.477 -18.440 1.00 0.00 H new ATOM 0 HA LYS A 77 21.211 17.601 -19.143 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.283 19.828 -19.012 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.742 18.141 -18.903 1.00 0.00 H new ATOM 0 HG2 LYS A 77 22.556 17.695 -21.085 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.150 19.396 -21.198 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.562 20.006 -21.208 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.014 18.329 -20.980 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.882 17.736 -23.144 1.00 0.00 H new ATOM 0 HE3 LYS A 77 23.448 19.418 -23.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 25.490 18.870 -24.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.815 20.005 -23.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.235 18.375 -23.117 1.00 0.00 H new ATOM 755 N VAL A 78 21.032 17.252 -16.680 1.00 0.00 N ATOM 756 CA VAL A 78 21.099 16.876 -15.264 1.00 0.00 C ATOM 757 C VAL A 78 20.936 15.376 -15.104 1.00 0.00 C ATOM 758 O VAL A 78 20.562 14.678 -16.047 1.00 0.00 O ATOM 759 CB VAL A 78 20.016 17.607 -14.466 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.467 19.042 -14.183 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.718 17.631 -15.276 1.00 0.00 C ATOM 0 H VAL A 78 20.355 16.720 -17.226 1.00 0.00 H new ATOM 0 HA VAL A 78 22.077 17.166 -14.879 1.00 0.00 H new ATOM 0 HB VAL A 78 19.848 17.088 -13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.695 19.561 -13.615 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.392 19.026 -13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.636 19.563 -15.125 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.945 18.151 -14.710 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.887 18.150 -16.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.395 16.609 -15.476 1.00 0.00 H new ATOM 771 N ILE A 79 21.231 14.879 -13.904 1.00 0.00 N ATOM 772 CA ILE A 79 21.126 13.445 -13.624 1.00 0.00 C ATOM 773 C ILE A 79 20.289 13.204 -12.371 1.00 0.00 C ATOM 774 O ILE A 79 20.001 14.131 -11.615 1.00 0.00 O ATOM 775 CB ILE A 79 22.538 12.842 -13.436 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.586 13.790 -14.034 1.00 0.00 C ATOM 777 CG2 ILE A 79 22.617 11.487 -14.144 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.962 13.128 -13.995 1.00 0.00 C ATOM 0 H ILE A 79 21.543 15.443 -13.113 1.00 0.00 H new ATOM 0 HA ILE A 79 20.636 12.960 -14.469 1.00 0.00 H new ATOM 0 HB ILE A 79 22.733 12.708 -12.372 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.321 14.039 -15.061 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.606 14.725 -13.474 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.613 11.064 -14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 79 21.875 10.811 -13.719 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.419 11.620 -15.208 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.703 13.804 -14.421 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.228 12.902 -12.962 1.00 0.00 H new ATOM 0 HD13 ILE A 79 24.938 12.205 -14.574 1.00 0.00 H new ATOM 790 N CYS A 80 19.902 11.950 -12.166 1.00 0.00 N ATOM 791 CA CYS A 80 19.098 11.591 -11.006 1.00 0.00 C ATOM 792 C CYS A 80 19.975 11.460 -9.760 1.00 0.00 C ATOM 793 O CYS A 80 21.181 11.230 -9.855 1.00 0.00 O ATOM 794 CB CYS A 80 18.372 10.262 -11.260 1.00 0.00 C ATOM 795 SG CYS A 80 18.032 10.099 -13.020 1.00 0.00 S ATOM 0 H CYS A 80 20.130 11.171 -12.783 1.00 0.00 H new ATOM 0 HA CYS A 80 18.366 12.381 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 80 18.985 9.428 -10.917 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.442 10.228 -10.693 1.00 0.00 H new ATOM 800 N ARG A 81 19.354 11.608 -8.596 1.00 0.00 N ATOM 801 CA ARG A 81 20.080 11.505 -7.337 1.00 0.00 C ATOM 802 C ARG A 81 20.807 10.166 -7.259 1.00 0.00 C ATOM 803 O ARG A 81 21.960 10.098 -6.835 1.00 0.00 O ATOM 804 CB ARG A 81 19.111 11.629 -6.163 1.00 0.00 C ATOM 805 CG ARG A 81 18.532 13.045 -6.130 1.00 0.00 C ATOM 806 CD ARG A 81 17.548 13.162 -4.967 1.00 0.00 C ATOM 807 NE ARG A 81 16.385 12.316 -5.201 1.00 0.00 N ATOM 808 CZ ARG A 81 15.462 12.145 -4.259 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.586 12.739 -3.104 1.00 0.00 N ATOM 810 NH2 ARG A 81 14.430 11.381 -4.491 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.357 11.798 -8.498 1.00 0.00 H new ATOM 0 HA ARG A 81 20.810 12.313 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.308 10.898 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.626 11.413 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.333 13.775 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.028 13.266 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.037 12.871 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.234 14.199 -4.850 1.00 0.00 H new ATOM 0 HE ARG A 81 16.277 11.848 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.392 13.336 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.876 12.606 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.332 10.916 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.721 11.249 -3.770 1.00 0.00 H new ATOM 824 N THR A 82 20.127 9.104 -7.678 1.00 0.00 N ATOM 825 CA THR A 82 20.719 7.769 -7.657 1.00 0.00 C ATOM 826 C THR A 82 21.975 7.730 -8.523 1.00 0.00 C ATOM 827 O THR A 82 22.970 7.103 -8.161 1.00 0.00 O ATOM 828 CB THR A 82 19.711 6.740 -8.176 1.00 0.00 C ATOM 829 OG1 THR A 82 18.455 6.953 -7.550 1.00 0.00 O ATOM 830 CG2 THR A 82 20.209 5.328 -7.852 1.00 0.00 C ATOM 0 H THR A 82 19.172 9.139 -8.034 1.00 0.00 H new ATOM 0 HA THR A 82 20.988 7.527 -6.629 1.00 0.00 H new ATOM 0 HB THR A 82 19.604 6.848 -9.255 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.808 6.296 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.491 4.595 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.174 5.164 -8.331 1.00 0.00 H new ATOM 0 HG23 THR A 82 20.316 5.219 -6.773 1.00 0.00 H new ATOM 838 N CYS A 83 21.921 8.399 -9.670 1.00 0.00 N ATOM 839 CA CYS A 83 23.054 8.436 -10.582 1.00 0.00 C ATOM 840 C CYS A 83 24.222 9.193 -9.955 1.00 0.00 C ATOM 841 O CYS A 83 25.378 8.982 -10.321 1.00 0.00 O ATOM 842 CB CYS A 83 22.655 9.114 -11.894 1.00 0.00 C ATOM 843 SG CYS A 83 21.400 8.121 -12.751 1.00 0.00 S ATOM 0 H CYS A 83 21.105 8.922 -9.988 1.00 0.00 H new ATOM 0 HA CYS A 83 23.362 7.410 -10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.266 10.112 -11.693 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.531 9.236 -12.531 1.00 0.00 H new ATOM 848 N GLN A 84 23.910 10.081 -9.012 1.00 0.00 N ATOM 849 CA GLN A 84 24.942 10.872 -8.342 1.00 0.00 C ATOM 850 C GLN A 84 24.549 11.155 -6.890 1.00 0.00 C ATOM 851 O GLN A 84 24.114 12.256 -6.557 1.00 0.00 O ATOM 852 CB GLN A 84 25.145 12.185 -9.089 1.00 0.00 C ATOM 853 CG GLN A 84 23.790 12.775 -9.474 1.00 0.00 C ATOM 854 CD GLN A 84 23.978 14.178 -10.040 1.00 0.00 C ATOM 855 OE1 GLN A 84 24.539 14.343 -11.124 1.00 0.00 O ATOM 856 NE2 GLN A 84 23.540 15.204 -9.364 1.00 0.00 N ATOM 0 H GLN A 84 22.959 10.270 -8.696 1.00 0.00 H new ATOM 0 HA GLN A 84 25.873 10.305 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 84 25.694 12.889 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 84 25.746 12.017 -9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 84 23.302 12.138 -10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.137 12.810 -8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 84 23.076 15.063 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.662 16.147 -9.733 1.00 0.00 H new ATOM 865 N PRO A 85 24.693 10.182 -6.027 1.00 0.00 N ATOM 866 CA PRO A 85 24.346 10.331 -4.587 1.00 0.00 C ATOM 867 C PRO A 85 25.413 11.105 -3.824 1.00 0.00 C ATOM 868 O PRO A 85 26.600 11.011 -4.134 1.00 0.00 O ATOM 869 CB PRO A 85 24.236 8.883 -4.093 1.00 0.00 C ATOM 870 CG PRO A 85 25.138 8.087 -4.990 1.00 0.00 C ATOM 871 CD PRO A 85 25.214 8.839 -6.329 1.00 0.00 C ATOM 0 HA PRO A 85 23.430 10.901 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 85 24.544 8.799 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 85 23.208 8.525 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 85 26.129 7.984 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 85 24.748 7.080 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 85 26.237 8.885 -6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 85 24.618 8.345 -7.096 1.00 0.00 H new ATOM 879 N LYS A 86 24.984 11.863 -2.818 1.00 0.00 N ATOM 880 CA LYS A 86 25.913 12.651 -2.004 1.00 0.00 C ATOM 881 C LYS A 86 25.676 12.390 -0.522 1.00 0.00 C ATOM 882 O LYS A 86 26.531 11.823 0.162 1.00 0.00 O ATOM 883 CB LYS A 86 25.725 14.138 -2.301 1.00 0.00 C ATOM 884 CG LYS A 86 26.131 14.424 -3.748 1.00 0.00 C ATOM 885 CD LYS A 86 25.930 15.910 -4.050 1.00 0.00 C ATOM 886 CE LYS A 86 26.285 16.189 -5.512 1.00 0.00 C ATOM 887 NZ LYS A 86 27.743 15.959 -5.719 1.00 0.00 N1+ ATOM 0 H LYS A 86 24.005 11.950 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 86 26.932 12.356 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 86 24.685 14.423 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 26.329 14.735 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 86 27.174 14.148 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 86 25.534 13.819 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 24.896 16.194 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 86 26.555 16.513 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 86 25.706 15.540 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 86 26.027 17.216 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 28.043 16.412 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 28.275 16.367 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 27.929 14.937 -5.772 1.00 0.00 H new ATOM 901 N GLN A 87 24.516 12.806 -0.029 1.00 0.00 N ATOM 902 CA GLN A 87 24.183 12.612 1.379 1.00 0.00 C ATOM 903 C GLN A 87 23.801 11.162 1.643 1.00 0.00 C ATOM 904 O GLN A 87 22.692 10.875 2.092 1.00 0.00 O ATOM 905 CB GLN A 87 23.019 13.525 1.770 1.00 0.00 C ATOM 906 CG GLN A 87 23.473 14.985 1.707 1.00 0.00 C ATOM 907 CD GLN A 87 22.302 15.909 2.025 1.00 0.00 C ATOM 908 OE1 GLN A 87 21.232 15.444 2.419 1.00 0.00 O ATOM 909 NE2 GLN A 87 22.439 17.197 1.870 1.00 0.00 N ATOM 0 H GLN A 87 23.795 13.276 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 87 25.059 12.861 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 87 22.176 13.366 1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 87 22.675 13.283 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 87 24.283 15.154 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 87 23.866 15.210 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 87 23.326 17.580 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 87 21.659 17.821 2.075 1.00 0.00 H new ATOM 918 N HIS A 88 24.726 10.248 1.363 1.00 0.00 N ATOM 919 CA HIS A 88 24.473 8.825 1.575 1.00 0.00 C ATOM 920 C HIS A 88 25.767 8.097 1.919 1.00 0.00 C ATOM 921 O HIS A 88 25.745 7.026 2.521 1.00 0.00 O ATOM 922 CB HIS A 88 23.865 8.213 0.312 1.00 0.00 C ATOM 923 CG HIS A 88 22.697 9.050 -0.137 1.00 0.00 C ATOM 924 ND1 HIS A 88 21.439 8.933 0.433 1.00 0.00 N ATOM 925 CD2 HIS A 88 22.584 10.023 -1.100 1.00 0.00 C ATOM 926 CE1 HIS A 88 20.631 9.814 -0.188 1.00 0.00 C ATOM 927 NE2 HIS A 88 21.279 10.503 -1.129 1.00 0.00 N ATOM 0 H HIS A 88 25.651 10.464 0.992 1.00 0.00 H new ATOM 0 HA HIS A 88 23.776 8.718 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 88 24.615 8.162 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 88 23.540 7.192 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 88 23.386 10.363 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.585 9.947 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 88 20.899 11.227 -1.739 1.00 0.00 H new ATOM 935 N ASP A 89 26.895 8.687 1.531 1.00 0.00 N ATOM 936 CA ASP A 89 28.202 8.086 1.801 1.00 0.00 C ATOM 937 C ASP A 89 28.803 8.668 3.073 1.00 0.00 C ATOM 938 O ASP A 89 29.995 8.516 3.330 1.00 0.00 O ATOM 939 CB ASP A 89 29.148 8.341 0.629 1.00 0.00 C ATOM 940 CG ASP A 89 28.611 7.664 -0.627 1.00 0.00 C ATOM 941 OD1 ASP A 89 27.751 6.808 -0.494 1.00 0.00 O ATOM 942 OD2 ASP A 89 29.067 8.012 -1.704 1.00 0.00 O1- ATOM 0 H ASP A 89 26.933 9.575 1.031 1.00 0.00 H new ATOM 0 HA ASP A 89 28.067 7.012 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 89 29.251 9.413 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 89 30.142 7.959 0.862 1.00 0.00 H new ATOM 947 N SER A 90 27.970 9.339 3.865 1.00 0.00 N ATOM 948 CA SER A 90 28.428 9.952 5.116 1.00 0.00 C ATOM 949 C SER A 90 27.529 9.537 6.270 1.00 0.00 C ATOM 950 O SER A 90 26.308 9.483 6.127 1.00 0.00 O ATOM 951 CB SER A 90 28.417 11.474 4.984 1.00 0.00 C ATOM 952 OG SER A 90 28.850 12.050 6.208 1.00 0.00 O ATOM 0 H SER A 90 26.978 9.473 3.667 1.00 0.00 H new ATOM 0 HA SER A 90 29.444 9.612 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.071 11.785 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.414 11.823 4.738 1.00 0.00 H new ATOM 0 HG SER A 90 29.438 11.421 6.676 1.00 0.00 H new ATOM 958 N ILE A 91 28.141 9.244 7.419 1.00 0.00 N ATOM 959 CA ILE A 91 27.387 8.833 8.604 1.00 0.00 C ATOM 960 C ILE A 91 27.649 9.801 9.750 1.00 0.00 C ATOM 961 O ILE A 91 28.798 10.097 10.076 1.00 0.00 O ATOM 962 CB ILE A 91 27.798 7.421 9.014 1.00 0.00 C ATOM 963 CG1 ILE A 91 27.529 6.459 7.854 1.00 0.00 C ATOM 964 CG2 ILE A 91 26.973 6.986 10.225 1.00 0.00 C ATOM 965 CD1 ILE A 91 28.166 5.106 8.159 1.00 0.00 C ATOM 0 H ILE A 91 29.151 9.283 7.554 1.00 0.00 H new ATOM 0 HA ILE A 91 26.323 8.842 8.369 1.00 0.00 H new ATOM 0 HB ILE A 91 28.858 7.408 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 91 26.456 6.343 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 91 27.937 6.865 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 91 27.264 5.978 10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 91 27.152 7.672 11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 91 25.914 6.997 9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 91 27.975 4.420 7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 91 29.241 5.231 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 91 27.737 4.700 9.075 1.00 0.00 H new ATOM 977 N TRP A 92 26.576 10.291 10.355 1.00 0.00 N ATOM 978 CA TRP A 92 26.699 11.232 11.461 1.00 0.00 C ATOM 979 C TRP A 92 27.031 10.497 12.759 1.00 0.00 C ATOM 980 O TRP A 92 26.203 9.770 13.299 1.00 0.00 O ATOM 981 CB TRP A 92 25.385 12.015 11.631 1.00 0.00 C ATOM 982 CG TRP A 92 25.343 12.651 12.990 1.00 0.00 C ATOM 983 CD1 TRP A 92 26.258 13.519 13.462 1.00 0.00 C ATOM 984 CD2 TRP A 92 24.366 12.464 14.051 1.00 0.00 C ATOM 985 NE1 TRP A 92 25.918 13.875 14.754 1.00 0.00 N ATOM 986 CE2 TRP A 92 24.749 13.258 15.159 1.00 0.00 C ATOM 987 CE3 TRP A 92 23.197 11.692 14.158 1.00 0.00 C ATOM 988 CZ2 TRP A 92 23.995 13.283 16.333 1.00 0.00 C ATOM 989 CZ3 TRP A 92 22.436 11.715 15.337 1.00 0.00 C ATOM 990 CH2 TRP A 92 22.834 12.512 16.422 1.00 0.00 C ATOM 0 H TRP A 92 25.617 10.055 10.102 1.00 0.00 H new ATOM 0 HA TRP A 92 27.509 11.926 11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 92 25.305 12.780 10.859 1.00 0.00 H new ATOM 0 HB3 TRP A 92 24.534 11.346 11.506 1.00 0.00 H new ATOM 0 HD1 TRP A 92 27.119 13.879 12.919 1.00 0.00 H new ATOM 0 HE1 TRP A 92 26.462 14.513 15.335 1.00 0.00 H new ATOM 0 HE3 TRP A 92 22.882 11.077 13.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 24.307 13.894 17.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 21.540 11.117 15.410 1.00 0.00 H new ATOM 0 HH2 TRP A 92 22.242 12.529 17.325 1.00 0.00 H new ATOM 1001 N CYS A 93 28.237 10.721 13.266 1.00 0.00 N ATOM 1002 CA CYS A 93 28.663 10.102 14.514 1.00 0.00 C ATOM 1003 C CYS A 93 28.286 10.983 15.698 1.00 0.00 C ATOM 1004 O CYS A 93 28.505 12.192 15.675 1.00 0.00 O ATOM 1005 CB CYS A 93 30.177 9.898 14.503 1.00 0.00 C ATOM 1006 SG CYS A 93 30.762 9.556 16.180 1.00 0.00 S ATOM 0 H CYS A 93 28.936 11.325 12.833 1.00 0.00 H new ATOM 0 HA CYS A 93 28.163 9.138 14.610 1.00 0.00 H new ATOM 0 HB2 CYS A 93 30.437 9.071 13.842 1.00 0.00 H new ATOM 0 HB3 CYS A 93 30.670 10.787 14.110 1.00 0.00 H new ATOM 1011 N THR A 94 27.729 10.371 16.738 1.00 0.00 N ATOM 1012 CA THR A 94 27.340 11.114 17.932 1.00 0.00 C ATOM 1013 C THR A 94 28.465 11.084 18.962 1.00 0.00 C ATOM 1014 O THR A 94 28.400 11.771 19.982 1.00 0.00 O ATOM 1015 CB THR A 94 26.077 10.504 18.539 1.00 0.00 C ATOM 1016 OG1 THR A 94 26.430 9.400 19.362 1.00 0.00 O ATOM 1017 CG2 THR A 94 25.150 10.031 17.421 1.00 0.00 C ATOM 0 H THR A 94 27.538 9.370 16.779 1.00 0.00 H new ATOM 0 HA THR A 94 27.142 12.148 17.649 1.00 0.00 H new ATOM 0 HB THR A 94 25.565 11.255 19.141 1.00 0.00 H new ATOM 0 HG1 THR A 94 25.620 9.011 19.752 1.00 0.00 H new ATOM 0 HG21 THR A 94 24.249 9.596 17.855 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.877 10.878 16.792 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.661 9.281 16.818 1.00 0.00 H new ATOM 1025 N ALA A 95 29.500 10.283 18.693 1.00 0.00 N ATOM 1026 CA ALA A 95 30.631 10.179 19.610 1.00 0.00 C ATOM 1027 C ALA A 95 31.698 11.205 19.258 1.00 0.00 C ATOM 1028 O ALA A 95 32.632 11.423 20.026 1.00 0.00 O ATOM 1029 CB ALA A 95 31.227 8.769 19.543 1.00 0.00 C ATOM 0 H ALA A 95 29.575 9.704 17.856 1.00 0.00 H new ATOM 0 HA ALA A 95 30.277 10.375 20.622 1.00 0.00 H new ATOM 0 HB1 ALA A 95 32.071 8.698 20.229 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.468 8.039 19.824 1.00 0.00 H new ATOM 0 HB3 ALA A 95 31.567 8.566 18.528 1.00 0.00 H new ATOM 1035 N CYS A 96 31.554 11.837 18.092 1.00 0.00 N ATOM 1036 CA CYS A 96 32.516 12.847 17.645 1.00 0.00 C ATOM 1037 C CYS A 96 31.814 14.169 17.384 1.00 0.00 C ATOM 1038 O CYS A 96 32.384 15.228 17.623 1.00 0.00 O ATOM 1039 CB CYS A 96 33.209 12.384 16.364 1.00 0.00 C ATOM 1040 SG CYS A 96 34.207 10.923 16.707 1.00 0.00 S ATOM 0 H CYS A 96 30.785 11.669 17.443 1.00 0.00 H new ATOM 0 HA CYS A 96 33.258 12.984 18.431 1.00 0.00 H new ATOM 0 HB2 CYS A 96 32.466 12.158 15.599 1.00 0.00 H new ATOM 0 HB3 CYS A 96 33.839 13.182 15.971 1.00 0.00 H new ATOM 1045 N GLN A 97 30.580 14.094 16.889 1.00 0.00 N ATOM 1046 CA GLN A 97 29.799 15.294 16.594 1.00 0.00 C ATOM 1047 C GLN A 97 30.217 15.878 15.249 1.00 0.00 C ATOM 1048 O GLN A 97 30.240 17.096 15.071 1.00 0.00 O ATOM 1049 CB GLN A 97 30.001 16.350 17.699 1.00 0.00 C ATOM 1050 CG GLN A 97 28.789 17.277 17.761 1.00 0.00 C ATOM 1051 CD GLN A 97 27.594 16.527 18.335 1.00 0.00 C ATOM 1052 OE1 GLN A 97 27.744 15.749 19.278 1.00 0.00 O ATOM 1053 NE2 GLN A 97 26.410 16.716 17.823 1.00 0.00 N ATOM 0 H GLN A 97 30.100 13.217 16.684 1.00 0.00 H new ATOM 0 HA GLN A 97 28.746 15.017 16.553 1.00 0.00 H new ATOM 0 HB2 GLN A 97 30.144 15.859 18.662 1.00 0.00 H new ATOM 0 HB3 GLN A 97 30.903 16.929 17.500 1.00 0.00 H new ATOM 0 HG2 GLN A 97 29.016 18.146 18.379 1.00 0.00 H new ATOM 0 HG3 GLN A 97 28.552 17.648 16.764 1.00 0.00 H new ATOM 0 HE21 GLN A 97 26.289 17.361 17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 97 25.605 16.219 18.203 1.00 0.00 H new ATOM 1062 N GLN A 98 30.545 15.003 14.305 1.00 0.00 N ATOM 1063 CA GLN A 98 30.958 15.443 12.977 1.00 0.00 C ATOM 1064 C GLN A 98 30.588 14.398 11.928 1.00 0.00 C ATOM 1065 O GLN A 98 30.239 13.268 12.263 1.00 0.00 O ATOM 1066 CB GLN A 98 32.469 15.685 12.953 1.00 0.00 C ATOM 1067 CG GLN A 98 33.199 14.354 13.132 1.00 0.00 C ATOM 1068 CD GLN A 98 34.675 14.604 13.415 1.00 0.00 C ATOM 1069 OE1 GLN A 98 35.488 14.856 12.427 1.00 0.00 O flip ATOM 1070 NE2 GLN A 98 35.098 14.574 14.571 1.00 0.00 N flip ATOM 0 H GLN A 98 30.533 13.991 14.433 1.00 0.00 H new ATOM 0 HA GLN A 98 30.439 16.373 12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 98 32.759 16.148 12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 98 32.750 16.376 13.747 1.00 0.00 H new ATOM 0 HG2 GLN A 98 32.753 13.792 13.953 1.00 0.00 H new ATOM 0 HG3 GLN A 98 33.090 13.746 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 98 34.460 14.377 15.342 1.00 0.00 H new ATOM 0 HE22 GLN A 98 36.086 14.746 14.757 1.00 0.00 H new ATOM 1079 N THR A 99 30.667 14.788 10.661 1.00 0.00 N ATOM 1080 CA THR A 99 30.341 13.876 9.570 1.00 0.00 C ATOM 1081 C THR A 99 31.530 12.982 9.245 1.00 0.00 C ATOM 1082 O THR A 99 32.677 13.428 9.259 1.00 0.00 O ATOM 1083 CB THR A 99 29.942 14.680 8.317 1.00 0.00 C ATOM 1084 OG1 THR A 99 30.656 15.907 8.304 1.00 0.00 O ATOM 1085 CG2 THR A 99 28.439 14.957 8.334 1.00 0.00 C ATOM 0 H THR A 99 30.951 15.722 10.365 1.00 0.00 H new ATOM 0 HA THR A 99 29.506 13.249 9.882 1.00 0.00 H new ATOM 0 HB THR A 99 30.185 14.105 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 99 30.407 16.422 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 99 28.164 15.526 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 99 27.895 14.012 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 99 28.185 15.531 9.225 1.00 0.00 H new ATOM 1093 N LYS A 100 31.244 11.716 8.946 1.00 0.00 N ATOM 1094 CA LYS A 100 32.293 10.757 8.607 1.00 0.00 C ATOM 1095 C LYS A 100 31.885 9.902 7.421 1.00 0.00 C ATOM 1096 O LYS A 100 30.718 9.559 7.263 1.00 0.00 O ATOM 1097 CB LYS A 100 32.576 9.858 9.814 1.00 0.00 C ATOM 1098 CG LYS A 100 33.473 10.591 10.823 1.00 0.00 C ATOM 1099 CD LYS A 100 34.945 10.445 10.414 1.00 0.00 C ATOM 1100 CE LYS A 100 35.835 11.087 11.471 1.00 0.00 C ATOM 1101 NZ LYS A 100 35.544 12.546 11.544 1.00 0.00 N1+ ATOM 0 H LYS A 100 30.299 11.332 8.932 1.00 0.00 H new ATOM 0 HA LYS A 100 33.193 11.311 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 100 31.639 9.571 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 100 33.061 8.939 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 100 33.201 11.646 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 100 33.322 10.182 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 100 35.199 9.391 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 35.113 10.918 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 100 35.660 10.621 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 100 36.885 10.926 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 36.260 13.014 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 35.567 12.953 10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 34.602 12.692 11.960 1.00 0.00 H new ATOM 1115 N GLY A 101 32.860 9.555 6.589 1.00 0.00 N ATOM 1116 CA GLY A 101 32.592 8.732 5.419 1.00 0.00 C ATOM 1117 C GLY A 101 32.375 7.278 5.820 1.00 0.00 C ATOM 1118 O GLY A 101 32.644 6.890 6.957 1.00 0.00 O ATOM 0 H GLY A 101 33.836 9.829 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 101 31.710 9.106 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 101 33.426 8.801 4.721 1.00 0.00 H new ATOM 1122 N ILE A 102 31.888 6.479 4.878 1.00 0.00 N ATOM 1123 CA ILE A 102 31.634 5.066 5.135 1.00 0.00 C ATOM 1124 C ILE A 102 32.924 4.259 5.034 1.00 0.00 C ATOM 1125 O ILE A 102 32.967 3.086 5.409 1.00 0.00 O ATOM 1126 CB ILE A 102 30.605 4.529 4.149 1.00 0.00 C ATOM 1127 CG1 ILE A 102 31.102 4.749 2.722 1.00 0.00 C ATOM 1128 CG2 ILE A 102 29.276 5.261 4.346 1.00 0.00 C ATOM 1129 CD1 ILE A 102 30.074 4.193 1.735 1.00 0.00 C ATOM 0 H ILE A 102 31.661 6.784 3.931 1.00 0.00 H new ATOM 0 HA ILE A 102 31.242 4.967 6.147 1.00 0.00 H new ATOM 0 HB ILE A 102 30.460 3.463 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 102 31.260 5.812 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 102 32.063 4.255 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 102 28.540 4.876 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 102 28.920 5.101 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 102 29.419 6.328 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 102 30.427 4.349 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 102 29.939 3.126 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 102 29.123 4.707 1.872 1.00 0.00 H new ATOM 1141 N ASN A 103 33.974 4.892 4.517 1.00 0.00 N ATOM 1142 CA ASN A 103 35.259 4.221 4.367 1.00 0.00 C ATOM 1143 C ASN A 103 35.846 3.861 5.728 1.00 0.00 C ATOM 1144 O ASN A 103 36.332 2.748 5.929 1.00 0.00 O ATOM 1145 CB ASN A 103 36.234 5.128 3.615 1.00 0.00 C ATOM 1146 CG ASN A 103 35.814 5.244 2.154 1.00 0.00 C ATOM 1147 OD1 ASN A 103 34.617 4.866 1.798 1.00 0.00 O flip ATOM 1148 ND2 ASN A 103 36.596 5.693 1.315 1.00 0.00 N flip ATOM 0 H ASN A 103 33.960 5.861 4.198 1.00 0.00 H new ATOM 0 HA ASN A 103 35.101 3.303 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 103 36.255 6.116 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 103 37.244 4.724 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 103 37.531 5.988 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 103 36.308 5.770 0.339 1.00 0.00 H new ATOM 1155 N GLU A 104 35.788 4.807 6.662 1.00 0.00 N ATOM 1156 CA GLU A 104 36.313 4.585 8.011 1.00 0.00 C ATOM 1157 C GLU A 104 35.200 4.163 8.948 1.00 0.00 C ATOM 1158 O GLU A 104 35.348 4.239 10.165 1.00 0.00 O ATOM 1159 CB GLU A 104 36.970 5.862 8.534 1.00 0.00 C ATOM 1160 CG GLU A 104 38.163 6.225 7.645 1.00 0.00 C ATOM 1161 CD GLU A 104 39.278 5.197 7.816 1.00 0.00 C ATOM 1162 OE1 GLU A 104 39.177 4.382 8.718 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 40.227 5.251 7.050 1.00 0.00 O ATOM 0 H GLU A 104 35.385 5.732 6.513 1.00 0.00 H new ATOM 0 HA GLU A 104 37.057 3.790 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 104 36.247 6.678 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 104 37.300 5.718 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 104 37.850 6.263 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 104 38.531 7.218 7.904 1.00 0.00 H new ATOM 1170 N PHE A 105 34.083 3.713 8.377 1.00 0.00 N ATOM 1171 CA PHE A 105 32.937 3.275 9.182 1.00 0.00 C ATOM 1172 C PHE A 105 32.564 1.836 8.841 1.00 0.00 C ATOM 1173 O PHE A 105 32.521 1.452 7.673 1.00 0.00 O ATOM 1174 CB PHE A 105 31.740 4.218 8.920 1.00 0.00 C ATOM 1175 CG PHE A 105 31.350 4.933 10.184 1.00 0.00 C ATOM 1176 CD1 PHE A 105 30.533 4.299 11.117 1.00 0.00 C ATOM 1177 CD2 PHE A 105 31.818 6.224 10.420 1.00 0.00 C ATOM 1178 CE1 PHE A 105 30.182 4.957 12.292 1.00 0.00 C ATOM 1179 CE2 PHE A 105 31.472 6.886 11.593 1.00 0.00 C ATOM 1180 CZ PHE A 105 30.650 6.254 12.535 1.00 0.00 C ATOM 0 H PHE A 105 33.945 3.641 7.369 1.00 0.00 H new ATOM 0 HA PHE A 105 33.204 3.314 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 105 32.002 4.944 8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 105 30.893 3.645 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 105 30.172 3.298 10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 105 32.450 6.711 9.692 1.00 0.00 H new ATOM 0 HE1 PHE A 105 29.548 4.467 13.017 1.00 0.00 H new ATOM 0 HE2 PHE A 105 31.836 7.886 11.777 1.00 0.00 H new ATOM 0 HZ PHE A 105 30.378 6.766 13.446 1.00 0.00 H new ATOM 1190 N SER A 106 32.287 1.052 9.875 1.00 0.00 N ATOM 1191 CA SER A 106 31.909 -0.339 9.683 1.00 0.00 C ATOM 1192 C SER A 106 30.547 -0.431 9.002 1.00 0.00 C ATOM 1193 O SER A 106 29.691 0.437 9.178 1.00 0.00 O ATOM 1194 CB SER A 106 31.864 -1.057 11.034 1.00 0.00 C ATOM 1195 OG SER A 106 33.188 -1.365 11.446 1.00 0.00 O ATOM 0 H SER A 106 32.317 1.355 10.849 1.00 0.00 H new ATOM 0 HA SER A 106 32.652 -0.818 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 106 31.377 -0.427 11.778 1.00 0.00 H new ATOM 0 HB3 SER A 106 31.274 -1.970 10.954 1.00 0.00 H new ATOM 0 HG SER A 106 33.367 -0.944 12.312 1.00 0.00 H new ATOM 1201 N LYS A 107 30.357 -1.489 8.223 1.00 0.00 N ATOM 1202 CA LYS A 107 29.099 -1.689 7.513 1.00 0.00 C ATOM 1203 C LYS A 107 27.948 -1.847 8.503 1.00 0.00 C ATOM 1204 O LYS A 107 26.864 -1.298 8.302 1.00 0.00 O ATOM 1205 CB LYS A 107 29.190 -2.933 6.629 1.00 0.00 C ATOM 1206 CG LYS A 107 27.921 -3.052 5.783 1.00 0.00 C ATOM 1207 CD LYS A 107 28.044 -4.256 4.846 1.00 0.00 C ATOM 1208 CE LYS A 107 26.784 -4.362 3.981 1.00 0.00 C ATOM 1209 NZ LYS A 107 26.936 -5.484 3.016 1.00 0.00 N1+ ATOM 0 H LYS A 107 31.053 -2.218 8.067 1.00 0.00 H new ATOM 0 HA LYS A 107 28.911 -0.815 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 107 30.066 -2.870 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 107 29.313 -3.823 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 107 27.050 -3.167 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 107 27.770 -2.141 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 107 28.925 -4.149 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.178 -5.169 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 107 25.910 -4.527 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 107 26.619 -3.427 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 26.080 -5.555 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 27.760 -5.308 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 27.074 -6.374 3.537 1.00 0.00 H new ATOM 1223 N ALA A 108 28.190 -2.603 9.569 1.00 0.00 N ATOM 1224 CA ALA A 108 27.166 -2.827 10.585 1.00 0.00 C ATOM 1225 C ALA A 108 26.861 -1.538 11.341 1.00 0.00 C ATOM 1226 O ALA A 108 25.712 -1.269 11.691 1.00 0.00 O ATOM 1227 CB ALA A 108 27.633 -3.899 11.569 1.00 0.00 C ATOM 0 H ALA A 108 29.079 -3.068 9.752 1.00 0.00 H new ATOM 0 HA ALA A 108 26.257 -3.162 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 108 26.863 -4.060 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 108 27.816 -4.830 11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 108 28.553 -3.572 12.053 1.00 0.00 H new ATOM 1233 N GLN A 109 27.898 -0.748 11.591 1.00 0.00 N ATOM 1234 CA GLN A 109 27.735 0.512 12.309 1.00 0.00 C ATOM 1235 C GLN A 109 26.827 1.457 11.533 1.00 0.00 C ATOM 1236 O GLN A 109 26.302 2.416 12.087 1.00 0.00 O ATOM 1237 CB GLN A 109 29.098 1.171 12.535 1.00 0.00 C ATOM 1238 CG GLN A 109 29.844 0.445 13.660 1.00 0.00 C ATOM 1239 CD GLN A 109 29.170 0.731 14.998 1.00 0.00 C ATOM 1240 OE1 GLN A 109 28.999 1.891 15.372 1.00 0.00 O ATOM 1241 NE2 GLN A 109 28.773 -0.263 15.746 1.00 0.00 N ATOM 0 H GLN A 109 28.856 -0.955 11.309 1.00 0.00 H new ATOM 0 HA GLN A 109 27.276 0.300 13.275 1.00 0.00 H new ATOM 0 HB2 GLN A 109 29.685 1.139 11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 109 28.966 2.222 12.792 1.00 0.00 H new ATOM 0 HG2 GLN A 109 29.853 -0.628 13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 109 30.883 0.772 13.689 1.00 0.00 H new ATOM 0 HE21 GLN A 109 28.915 -1.224 15.435 1.00 0.00 H new ATOM 0 HE22 GLN A 109 28.321 -0.079 16.641 1.00 0.00 H new ATOM 1250 N ARG A 110 26.647 1.184 10.250 1.00 0.00 N ATOM 1251 CA ARG A 110 25.791 2.017 9.413 1.00 0.00 C ATOM 1252 C ARG A 110 24.332 1.582 9.547 1.00 0.00 C ATOM 1253 O ARG A 110 23.416 2.330 9.209 1.00 0.00 O ATOM 1254 CB ARG A 110 26.231 1.909 7.948 1.00 0.00 C ATOM 1255 CG ARG A 110 25.391 2.855 7.090 1.00 0.00 C ATOM 1256 CD ARG A 110 25.879 2.801 5.646 1.00 0.00 C ATOM 1257 NE ARG A 110 25.167 3.789 4.841 1.00 0.00 N ATOM 1258 CZ ARG A 110 23.994 3.506 4.282 1.00 0.00 C ATOM 1259 NH1 ARG A 110 23.458 2.327 4.452 1.00 0.00 N ATOM 1260 NH2 ARG A 110 23.379 4.405 3.564 1.00 0.00 N1+ ATOM 0 H ARG A 110 27.079 0.397 9.766 1.00 0.00 H new ATOM 0 HA ARG A 110 25.881 3.052 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 110 27.288 2.160 7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 110 26.115 0.884 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.340 2.572 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 110 25.466 3.873 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 110 26.951 2.994 5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 110 25.720 1.803 5.237 1.00 0.00 H new ATOM 0 HE ARG A 110 25.577 4.713 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 110 23.939 1.624 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 110 22.558 2.109 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 110 23.798 5.325 3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 110 22.479 4.187 3.135 1.00 0.00 H new ATOM 1274 N HIS A 111 24.121 0.363 10.034 1.00 0.00 N ATOM 1275 CA HIS A 111 22.767 -0.163 10.195 1.00 0.00 C ATOM 1276 C HIS A 111 22.192 0.196 11.562 1.00 0.00 C ATOM 1277 O HIS A 111 21.014 0.535 11.677 1.00 0.00 O ATOM 1278 CB HIS A 111 22.783 -1.686 10.038 1.00 0.00 C ATOM 1279 CG HIS A 111 22.993 -2.042 8.590 1.00 0.00 C ATOM 1280 ND1 HIS A 111 23.973 -2.933 8.184 1.00 0.00 N ATOM 1281 CD2 HIS A 111 22.359 -1.634 7.445 1.00 0.00 C ATOM 1282 CE1 HIS A 111 23.898 -3.033 6.845 1.00 0.00 C ATOM 1283 NE2 HIS A 111 22.932 -2.261 6.343 1.00 0.00 N ATOM 0 H HIS A 111 24.862 -0.275 10.322 1.00 0.00 H new ATOM 0 HA HIS A 111 22.137 0.286 9.427 1.00 0.00 H new ATOM 0 HB2 HIS A 111 23.577 -2.116 10.648 1.00 0.00 H new ATOM 0 HB3 HIS A 111 21.843 -2.108 10.394 1.00 0.00 H new ATOM 0 HD2 HIS A 111 21.539 -0.932 7.405 1.00 0.00 H new ATOM 0 HE1 HIS A 111 24.542 -3.662 6.248 1.00 0.00 H new ATOM 0 HE2 HIS A 111 22.670 -2.154 5.363 1.00 0.00 H new ATOM 1291 N VAL A 112 23.024 0.116 12.595 1.00 0.00 N ATOM 1292 CA VAL A 112 22.584 0.425 13.945 1.00 0.00 C ATOM 1293 C VAL A 112 21.988 1.825 14.007 1.00 0.00 C ATOM 1294 O VAL A 112 22.336 2.696 13.212 1.00 0.00 O ATOM 1295 CB VAL A 112 23.762 0.321 14.919 1.00 0.00 C ATOM 1296 CG1 VAL A 112 24.260 -1.128 14.970 1.00 0.00 C ATOM 1297 CG2 VAL A 112 24.894 1.223 14.437 1.00 0.00 C ATOM 0 H VAL A 112 24.003 -0.160 12.521 1.00 0.00 H new ATOM 0 HA VAL A 112 21.817 -0.295 14.230 1.00 0.00 H new ATOM 0 HB VAL A 112 23.439 0.631 15.913 1.00 0.00 H new ATOM 0 HG11 VAL A 112 25.098 -1.201 15.663 1.00 0.00 H new ATOM 0 HG12 VAL A 112 23.453 -1.778 15.307 1.00 0.00 H new ATOM 0 HG13 VAL A 112 24.584 -1.437 13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 112 25.735 1.152 15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 112 25.213 0.908 13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 112 24.545 2.255 14.395 1.00 0.00 H new ATOM 1307 N LEU A 113 21.084 2.025 14.953 1.00 0.00 N ATOM 1308 CA LEU A 113 20.434 3.318 15.117 1.00 0.00 C ATOM 1309 C LEU A 113 21.448 4.383 15.484 1.00 0.00 C ATOM 1310 O LEU A 113 21.277 5.552 15.140 1.00 0.00 O ATOM 1311 CB LEU A 113 19.371 3.242 16.212 1.00 0.00 C ATOM 1312 CG LEU A 113 18.420 2.079 15.921 1.00 0.00 C ATOM 1313 CD1 LEU A 113 17.386 1.971 17.046 1.00 0.00 C ATOM 1314 CD2 LEU A 113 17.701 2.317 14.584 1.00 0.00 C ATOM 0 H LEU A 113 20.784 1.312 15.618 1.00 0.00 H new ATOM 0 HA LEU A 113 19.964 3.581 14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 113 19.844 3.104 17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 113 18.814 4.178 16.259 1.00 0.00 H new ATOM 0 HG LEU A 113 18.992 1.153 15.861 1.00 0.00 H new ATOM 0 HD11 LEU A 113 16.708 1.143 16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 113 17.896 1.795 17.993 1.00 0.00 H new ATOM 0 HD13 LEU A 113 16.817 2.899 17.107 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.025 1.486 14.381 1.00 0.00 H new ATOM 0 HD22 LEU A 113 17.130 3.244 14.638 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.437 2.390 13.783 1.00 0.00 H new ATOM 1326 N ASP A 114 22.505 3.979 16.193 1.00 0.00 N ATOM 1327 CA ASP A 114 23.541 4.921 16.616 1.00 0.00 C ATOM 1328 C ASP A 114 24.907 4.500 16.061 1.00 0.00 C ATOM 1329 O ASP A 114 25.554 3.602 16.603 1.00 0.00 O ATOM 1330 CB ASP A 114 23.605 4.979 18.133 1.00 0.00 C ATOM 1331 CG ASP A 114 22.302 5.565 18.668 1.00 0.00 C ATOM 1332 OD1 ASP A 114 21.793 6.491 18.053 1.00 0.00 O ATOM 1333 OD2 ASP A 114 21.831 5.082 19.682 1.00 0.00 O1- ATOM 0 H ASP A 114 22.664 3.014 16.484 1.00 0.00 H new ATOM 0 HA ASP A 114 23.289 5.908 16.227 1.00 0.00 H new ATOM 0 HB2 ASP A 114 23.763 3.981 18.541 1.00 0.00 H new ATOM 0 HB3 ASP A 114 24.450 5.590 18.450 1.00 0.00 H new ATOM 1338 N PRO A 115 25.350 5.111 14.987 1.00 0.00 N ATOM 1339 CA PRO A 115 26.654 4.773 14.355 1.00 0.00 C ATOM 1340 C PRO A 115 27.833 5.352 15.129 1.00 0.00 C ATOM 1341 O PRO A 115 27.787 6.493 15.587 1.00 0.00 O ATOM 1342 CB PRO A 115 26.547 5.401 12.957 1.00 0.00 C ATOM 1343 CG PRO A 115 25.590 6.543 13.103 1.00 0.00 C ATOM 1344 CD PRO A 115 24.662 6.196 14.265 1.00 0.00 C ATOM 0 HA PRO A 115 26.837 3.699 14.331 1.00 0.00 H new ATOM 0 HB2 PRO A 115 27.520 5.747 12.607 1.00 0.00 H new ATOM 0 HB3 PRO A 115 26.185 4.676 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 115 26.124 7.472 13.300 1.00 0.00 H new ATOM 0 HG3 PRO A 115 25.021 6.690 12.185 1.00 0.00 H new ATOM 0 HD2 PRO A 115 24.498 7.059 14.911 1.00 0.00 H new ATOM 0 HD3 PRO A 115 23.684 5.875 13.907 1.00 0.00 H new ATOM 1352 N ARG A 116 28.894 4.563 15.259 1.00 0.00 N ATOM 1353 CA ARG A 116 30.094 5.006 15.969 1.00 0.00 C ATOM 1354 C ARG A 116 31.340 4.731 15.134 1.00 0.00 C ATOM 1355 O ARG A 116 31.573 3.603 14.697 1.00 0.00 O ATOM 1356 CB ARG A 116 30.199 4.278 17.306 1.00 0.00 C ATOM 1357 CG ARG A 116 29.084 4.756 18.237 1.00 0.00 C ATOM 1358 CD ARG A 116 29.155 3.985 19.555 1.00 0.00 C ATOM 1359 NE ARG A 116 28.082 4.412 20.446 1.00 0.00 N ATOM 1360 CZ ARG A 116 27.864 3.796 21.603 1.00 0.00 C ATOM 1361 NH1 ARG A 116 28.619 2.792 21.960 1.00 0.00 N ATOM 1362 NH2 ARG A 116 26.897 4.195 22.384 1.00 0.00 N1+ ATOM 0 H ARG A 116 28.950 3.616 14.884 1.00 0.00 H new ATOM 0 HA ARG A 116 30.021 6.079 16.144 1.00 0.00 H new ATOM 0 HB2 ARG A 116 30.123 3.202 17.153 1.00 0.00 H new ATOM 0 HB3 ARG A 116 31.172 4.467 17.760 1.00 0.00 H new ATOM 0 HG2 ARG A 116 29.184 5.825 18.423 1.00 0.00 H new ATOM 0 HG3 ARG A 116 28.113 4.604 17.766 1.00 0.00 H new ATOM 0 HD2 ARG A 116 29.075 2.915 19.364 1.00 0.00 H new ATOM 0 HD3 ARG A 116 30.121 4.152 20.031 1.00 0.00 H new ATOM 0 HE ARG A 116 27.489 5.197 20.176 1.00 0.00 H new ATOM 0 HH11 ARG A 116 29.376 2.481 21.351 1.00 0.00 H new ATOM 0 HH12 ARG A 116 28.452 2.319 22.848 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.308 4.980 22.106 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.730 3.722 23.272 1.00 0.00 H new ATOM 1376 N CYS A 117 32.142 5.770 14.918 1.00 0.00 N ATOM 1377 CA CYS A 117 33.368 5.632 14.137 1.00 0.00 C ATOM 1378 C CYS A 117 34.110 4.358 14.521 1.00 0.00 C ATOM 1379 O CYS A 117 34.133 3.970 15.690 1.00 0.00 O ATOM 1380 CB CYS A 117 34.278 6.835 14.376 1.00 0.00 C ATOM 1381 SG CYS A 117 33.409 8.354 13.938 1.00 0.00 S ATOM 0 H CYS A 117 31.967 6.711 15.270 1.00 0.00 H new ATOM 0 HA CYS A 117 33.096 5.581 13.083 1.00 0.00 H new ATOM 0 HB2 CYS A 117 34.584 6.869 15.421 1.00 0.00 H new ATOM 0 HB3 CYS A 117 35.186 6.740 13.781 1.00 0.00 H new ATOM 1386 N GLN A 118 34.712 3.706 13.528 1.00 0.00 N ATOM 1387 CA GLN A 118 35.445 2.472 13.777 1.00 0.00 C ATOM 1388 C GLN A 118 36.336 2.623 15.004 1.00 0.00 C ATOM 1389 O GLN A 118 36.654 1.644 15.680 1.00 0.00 O ATOM 1390 CB GLN A 118 36.299 2.123 12.560 1.00 0.00 C ATOM 1391 CG GLN A 118 36.762 0.668 12.657 1.00 0.00 C ATOM 1392 CD GLN A 118 35.606 -0.270 12.329 1.00 0.00 C ATOM 1393 OE1 GLN A 118 34.768 -0.550 13.187 1.00 0.00 O ATOM 1394 NE2 GLN A 118 35.509 -0.773 11.130 1.00 0.00 N ATOM 0 H GLN A 118 34.706 4.010 12.554 1.00 0.00 H new ATOM 0 HA GLN A 118 34.729 1.670 13.959 1.00 0.00 H new ATOM 0 HB2 GLN A 118 35.725 2.272 11.646 1.00 0.00 H new ATOM 0 HB3 GLN A 118 37.162 2.787 12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 118 37.589 0.494 11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 118 37.134 0.462 13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 118 36.204 -0.540 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 118 34.738 -1.400 10.901 1.00 0.00 H new ATOM 1403 N ILE A 119 36.739 3.859 15.285 1.00 0.00 N ATOM 1404 CA ILE A 119 37.591 4.135 16.437 1.00 0.00 C ATOM 1405 C ILE A 119 36.743 4.416 17.677 1.00 0.00 C ATOM 1406 O ILE A 119 37.104 4.034 18.790 1.00 0.00 O ATOM 1407 CB ILE A 119 38.497 5.333 16.144 1.00 0.00 C ATOM 1408 CG1 ILE A 119 39.539 5.472 17.264 1.00 0.00 C ATOM 1409 CG2 ILE A 119 37.661 6.606 16.060 1.00 0.00 C ATOM 1410 CD1 ILE A 119 40.509 4.279 17.245 1.00 0.00 C ATOM 0 H ILE A 119 36.491 4.681 14.734 1.00 0.00 H new ATOM 0 HA ILE A 119 38.208 3.257 16.628 1.00 0.00 H new ATOM 0 HB ILE A 119 39.005 5.177 15.192 1.00 0.00 H new ATOM 0 HG12 ILE A 119 40.094 6.402 17.140 1.00 0.00 H new ATOM 0 HG13 ILE A 119 39.038 5.526 18.231 1.00 0.00 H new ATOM 0 HG21 ILE A 119 38.311 7.455 15.851 1.00 0.00 H new ATOM 0 HG22 ILE A 119 36.926 6.507 15.261 1.00 0.00 H new ATOM 0 HG23 ILE A 119 37.147 6.767 17.008 1.00 0.00 H new ATOM 0 HD11 ILE A 119 41.241 4.393 18.045 1.00 0.00 H new ATOM 0 HD12 ILE A 119 39.951 3.354 17.392 1.00 0.00 H new ATOM 0 HD13 ILE A 119 41.023 4.243 16.285 1.00 0.00 H new ATOM 1422 N CYS A 120 35.626 5.105 17.470 1.00 0.00 N ATOM 1423 CA CYS A 120 34.740 5.457 18.576 1.00 0.00 C ATOM 1424 C CYS A 120 34.366 4.208 19.371 1.00 0.00 C ATOM 1425 O CYS A 120 34.310 4.232 20.600 1.00 0.00 O ATOM 1426 CB CYS A 120 33.468 6.153 18.046 1.00 0.00 C ATOM 1427 SG CYS A 120 33.808 7.918 17.866 1.00 0.00 S ATOM 0 H CYS A 120 35.313 5.429 16.555 1.00 0.00 H new ATOM 0 HA CYS A 120 35.265 6.148 19.235 1.00 0.00 H new ATOM 0 HB2 CYS A 120 33.174 5.725 17.088 1.00 0.00 H new ATOM 0 HB3 CYS A 120 32.637 5.996 18.733 1.00 0.00 H new ATOM 1432 N VAL A 121 34.111 3.122 18.661 1.00 0.00 N ATOM 1433 CA VAL A 121 33.748 1.868 19.310 1.00 0.00 C ATOM 1434 C VAL A 121 34.941 1.294 20.068 1.00 0.00 C ATOM 1435 O VAL A 121 34.793 0.761 21.167 1.00 0.00 O ATOM 1436 CB VAL A 121 33.267 0.858 18.267 1.00 0.00 C ATOM 1437 CG1 VAL A 121 31.984 1.372 17.618 1.00 0.00 C ATOM 1438 CG2 VAL A 121 34.341 0.681 17.195 1.00 0.00 C ATOM 0 H VAL A 121 34.147 3.080 17.643 1.00 0.00 H new ATOM 0 HA VAL A 121 32.943 2.066 20.018 1.00 0.00 H new ATOM 0 HB VAL A 121 33.074 -0.100 18.750 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.639 0.654 16.874 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.216 1.501 18.381 1.00 0.00 H new ATOM 0 HG13 VAL A 121 32.179 2.329 17.135 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.998 -0.039 16.452 1.00 0.00 H new ATOM 0 HG22 VAL A 121 34.533 1.639 16.711 1.00 0.00 H new ATOM 0 HG23 VAL A 121 35.259 0.317 17.656 1.00 0.00 H new ATOM 1448 N HIS A 122 36.123 1.404 19.468 1.00 0.00 N ATOM 1449 CA HIS A 122 37.345 0.893 20.090 1.00 0.00 C ATOM 1450 C HIS A 122 37.987 1.959 20.971 1.00 0.00 C ATOM 1451 O HIS A 122 39.048 1.740 21.554 1.00 0.00 O ATOM 1452 CB HIS A 122 38.338 0.454 19.013 1.00 0.00 C ATOM 1453 CG HIS A 122 37.815 -0.774 18.319 1.00 0.00 C ATOM 1454 ND1 HIS A 122 37.328 -0.741 17.021 1.00 0.00 N ATOM 1455 CD2 HIS A 122 37.694 -2.078 18.729 1.00 0.00 C ATOM 1456 CE1 HIS A 122 36.940 -1.988 16.700 1.00 0.00 C ATOM 1457 NE2 HIS A 122 37.142 -2.843 17.706 1.00 0.00 N ATOM 0 H HIS A 122 36.263 1.840 18.556 1.00 0.00 H new ATOM 0 HA HIS A 122 37.080 0.037 20.710 1.00 0.00 H new ATOM 0 HB2 HIS A 122 38.487 1.257 18.291 1.00 0.00 H new ATOM 0 HB3 HIS A 122 39.309 0.245 19.462 1.00 0.00 H new ATOM 0 HD1 HIS A 122 37.274 0.080 16.419 1.00 0.00 H new ATOM 0 HD2 HIS A 122 37.983 -2.454 19.699 1.00 0.00 H new ATOM 0 HE1 HIS A 122 36.517 -2.264 15.746 1.00 0.00 H new ATOM 1465 N SER A 123 37.337 3.115 21.062 1.00 0.00 N ATOM 1466 CA SER A 123 37.855 4.209 21.876 1.00 0.00 C ATOM 1467 C SER A 123 37.649 3.925 23.359 1.00 0.00 C ATOM 1468 O SER A 123 38.611 3.803 24.117 1.00 0.00 O ATOM 1469 CB SER A 123 37.158 5.517 21.505 1.00 0.00 C ATOM 1470 OG SER A 123 37.533 5.891 20.186 1.00 0.00 O ATOM 0 H SER A 123 36.458 3.318 20.586 1.00 0.00 H new ATOM 0 HA SER A 123 38.924 4.300 21.681 1.00 0.00 H new ATOM 0 HB2 SER A 123 36.076 5.397 21.568 1.00 0.00 H new ATOM 0 HB3 SER A 123 37.433 6.302 22.210 1.00 0.00 H new ATOM 0 HG SER A 123 37.740 5.088 19.665 1.00 0.00 H new ATOM 1476 N GLN A 124 36.387 3.825 23.768 1.00 0.00 N ATOM 1477 CA GLN A 124 36.058 3.558 25.168 1.00 0.00 C ATOM 1478 C GLN A 124 34.867 2.611 25.270 1.00 0.00 C ATOM 1479 O GLN A 124 34.042 2.732 26.175 1.00 0.00 O ATOM 1480 CB GLN A 124 35.735 4.870 25.885 1.00 0.00 C ATOM 1481 CG GLN A 124 34.618 5.601 25.137 1.00 0.00 C ATOM 1482 CD GLN A 124 34.244 6.878 25.879 1.00 0.00 C ATOM 1483 OE1 GLN A 124 34.336 6.934 27.106 1.00 0.00 O ATOM 1484 NE2 GLN A 124 33.819 7.914 25.206 1.00 0.00 N ATOM 0 H GLN A 124 35.578 3.924 23.155 1.00 0.00 H new ATOM 0 HA GLN A 124 36.920 3.087 25.641 1.00 0.00 H new ATOM 0 HB2 GLN A 124 35.428 4.669 26.912 1.00 0.00 H new ATOM 0 HB3 GLN A 124 36.625 5.498 25.935 1.00 0.00 H new ATOM 0 HG2 GLN A 124 34.943 5.841 24.125 1.00 0.00 H new ATOM 0 HG3 GLN A 124 33.745 4.954 25.047 1.00 0.00 H new ATOM 0 HE21 GLN A 124 33.743 7.866 24.190 1.00 0.00 H new ATOM 0 HE22 GLN A 124 33.563 8.771 25.697 1.00 0.00 H new ATOM 1493 N ARG A 125 34.785 1.668 24.338 1.00 0.00 N ATOM 1494 CA ARG A 125 33.690 0.704 24.334 1.00 0.00 C ATOM 1495 C ARG A 125 32.346 1.423 24.376 1.00 0.00 C ATOM 1496 O ARG A 125 32.271 2.632 24.163 1.00 0.00 O ATOM 1497 CB ARG A 125 33.811 -0.226 25.542 1.00 0.00 C ATOM 1498 CG ARG A 125 35.049 -1.111 25.384 1.00 0.00 C ATOM 1499 CD ARG A 125 35.179 -2.030 26.600 1.00 0.00 C ATOM 1500 NE ARG A 125 36.395 -2.832 26.497 1.00 0.00 N ATOM 1501 CZ ARG A 125 36.412 -3.975 25.821 1.00 0.00 C ATOM 1502 NH1 ARG A 125 35.329 -4.401 25.230 1.00 0.00 N ATOM 1503 NH2 ARG A 125 37.513 -4.672 25.745 1.00 0.00 N1+ ATOM 0 H ARG A 125 35.458 1.550 23.581 1.00 0.00 H new ATOM 0 HA ARG A 125 33.748 0.118 23.417 1.00 0.00 H new ATOM 0 HB2 ARG A 125 33.884 0.359 26.459 1.00 0.00 H new ATOM 0 HB3 ARG A 125 32.918 -0.844 25.629 1.00 0.00 H new ATOM 0 HG2 ARG A 125 34.971 -1.705 24.473 1.00 0.00 H new ATOM 0 HG3 ARG A 125 35.941 -0.492 25.286 1.00 0.00 H new ATOM 0 HD2 ARG A 125 35.203 -1.436 27.513 1.00 0.00 H new ATOM 0 HD3 ARG A 125 34.309 -2.683 26.667 1.00 0.00 H new ATOM 0 HE ARG A 125 37.248 -2.508 26.953 1.00 0.00 H new ATOM 0 HH11 ARG A 125 34.469 -3.856 25.287 1.00 0.00 H new ATOM 0 HH12 ARG A 125 35.343 -5.279 24.711 1.00 0.00 H new ATOM 0 HH21 ARG A 125 38.360 -4.339 26.205 1.00 0.00 H new ATOM 0 HH22 ARG A 125 37.526 -5.550 25.226 1.00 0.00 H new ATOM 1517 N ASN A 126 31.287 0.670 24.652 1.00 0.00 N ATOM 1518 CA ASN A 126 29.948 1.244 24.721 1.00 0.00 C ATOM 1519 C ASN A 126 29.724 1.921 26.068 1.00 0.00 C ATOM 1520 O ASN A 126 28.707 1.646 26.686 1.00 0.00 O ATOM 1521 CB ASN A 126 28.899 0.150 24.515 1.00 0.00 C ATOM 1522 CG ASN A 126 29.033 -0.447 23.118 1.00 0.00 C ATOM 1523 OD1 ASN A 126 29.493 0.289 22.144 1.00 0.00 O flip ATOM 1524 ND2 ASN A 126 28.709 -1.616 22.909 1.00 0.00 N flip ATOM 1525 OXT ASN A 126 30.570 2.707 26.462 1.00 0.00 O ATOM 0 H ASN A 126 31.329 -0.333 24.831 1.00 0.00 H new ATOM 0 HA ASN A 126 29.852 1.991 23.933 1.00 0.00 H new ATOM 0 HB2 ASN A 126 29.023 -0.630 25.266 1.00 0.00 H new ATOM 0 HB3 ASN A 126 27.899 0.564 24.648 1.00 0.00 H new ATOM 0 HD21 ASN A 126 28.350 -2.190 23.672 1.00 0.00 H new ATOM 0 HD22 ASN A 126 28.800 -2.011 21.973 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 19.718 9.045 -14.101 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 32.986 9.102 16.074 1.00 0.00 ZN