USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 165:sc= 0.0159 USER MOD Set 1.2: A 72 CYS SG : rot -45:sc= -1.28 USER MOD Set 1.3: A 91 HIS : no HD1:sc= -2.23! C(o=-4!,f=-9.1!) USER MOD Set 1.4: A 94 CYS SG : rot 35:sc= -0.472 USER MOD Set 2.1: A 36 CYS SG : rot 153:sc= -0.786 USER MOD Set 2.2: A 39 CYS SG : rot -55:sc= 0.716 USER MOD Set 2.3: A 57 CYS SG : rot -128:sc= 0.0554 USER MOD Set 2.4: A 60 CYS SG : rot 85:sc= -1.22 USER MOD Set 3.1: A 8 CYS SG : rot -7:sc= -0.768 USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= -1.66 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -2.95! C(o=-8.1!,f=-14!) USER MOD Set 3.4: A 33 CYS SG : rot 170:sc= -2.77 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.65! K(o=-1.7!,f=-0.6) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.242 K(o=-0.24,f=-0.9) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.316 (180deg=-0.527) USER MOD Single : A 41 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-3.5!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00427 (180deg=-0.117) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.41 K(o=-1.4,f=-2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -16:sc= 0.101 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -115:sc=-0.00646 (180deg=-0.525) USER MOD Single : A 81 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.6) USER MOD Single : A 82 ASN : amide:sc= -4.27! C(o=-4.3!,f=-5.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0272) USER MOD Single : A 88 THR OG1 : rot 10:sc= 0.501 USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0114) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.627 17.873 -12.579 1.00 0.00 N ATOM 60 CA GLY A 7 -5.151 17.241 -11.382 1.00 0.00 C ATOM 61 C GLY A 7 -4.814 15.764 -11.312 1.00 0.00 C ATOM 62 O GLY A 7 -4.132 15.233 -12.189 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.749 17.745 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.233 17.365 -11.353 1.00 0.00 H new ATOM 66 N CYS A 8 -5.292 15.099 -10.266 1.00 0.00 N ATOM 67 CA CYS A 8 -5.037 13.676 -10.082 1.00 0.00 C ATOM 68 C CYS A 8 -6.261 12.850 -10.466 1.00 0.00 C ATOM 69 O CYS A 8 -7.399 13.281 -10.277 1.00 0.00 O ATOM 70 CB CYS A 8 -4.649 13.389 -8.630 1.00 0.00 C ATOM 71 SG CYS A 8 -3.951 11.728 -8.362 1.00 0.00 S ATOM 0 H CYS A 8 -5.859 15.524 -9.532 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.211 13.393 -10.734 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.922 14.134 -8.305 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.530 13.507 -7.999 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.053 11.033 -9.456 1.00 0.00 H new ATOM 76 N VAL A 9 -6.020 11.659 -11.006 1.00 0.00 N ATOM 77 CA VAL A 9 -7.102 10.772 -11.415 1.00 0.00 C ATOM 78 C VAL A 9 -7.416 9.751 -10.328 1.00 0.00 C ATOM 79 O VAL A 9 -8.374 8.986 -10.439 1.00 0.00 O ATOM 80 CB VAL A 9 -6.754 10.027 -12.718 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.416 11.015 -13.824 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.604 9.059 -12.487 1.00 0.00 C ATOM 0 H VAL A 9 -5.085 11.287 -11.170 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.978 11.398 -11.585 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.625 9.452 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.173 10.471 -14.736 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.272 11.664 -14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.560 11.619 -13.523 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.372 8.541 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.726 9.610 -12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.889 8.330 -11.728 1.00 0.00 H new ATOM 92 N GLU A 10 -6.603 9.745 -9.276 1.00 0.00 N ATOM 93 CA GLU A 10 -6.795 8.817 -8.168 1.00 0.00 C ATOM 94 C GLU A 10 -7.733 9.408 -7.119 1.00 0.00 C ATOM 95 O GLU A 10 -8.759 8.816 -6.783 1.00 0.00 O ATOM 96 CB GLU A 10 -5.450 8.468 -7.526 1.00 0.00 C ATOM 97 CG GLU A 10 -5.403 7.070 -6.934 1.00 0.00 C ATOM 98 CD GLU A 10 -6.596 6.771 -6.047 1.00 0.00 C ATOM 99 OE1 GLU A 10 -7.664 6.418 -6.588 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.460 6.891 -4.811 1.00 0.00 O ATOM 0 H GLU A 10 -5.806 10.372 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.247 7.908 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.664 8.563 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.232 9.193 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.363 6.339 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.487 6.955 -6.355 1.00 0.00 H new ATOM 107 N CYS A 11 -7.373 10.580 -6.606 1.00 0.00 N ATOM 108 CA CYS A 11 -8.180 11.252 -5.595 1.00 0.00 C ATOM 109 C CYS A 11 -8.930 12.437 -6.197 1.00 0.00 C ATOM 110 O CYS A 11 -9.464 13.279 -5.475 1.00 0.00 O ATOM 111 CB CYS A 11 -7.296 11.728 -4.440 1.00 0.00 C ATOM 112 SG CYS A 11 -5.837 12.683 -4.966 1.00 0.00 S ATOM 0 H CYS A 11 -6.528 11.084 -6.874 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.910 10.537 -5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.895 12.341 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.963 10.861 -3.870 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.154 13.043 -3.920 1.00 0.00 H new ATOM 117 N ARG A 12 -8.966 12.494 -7.524 1.00 0.00 N ATOM 118 CA ARG A 12 -9.650 13.575 -8.224 1.00 0.00 C ATOM 119 C ARG A 12 -9.344 14.921 -7.575 1.00 0.00 C ATOM 120 O ARG A 12 -10.193 15.813 -7.540 1.00 0.00 O ATOM 121 CB ARG A 12 -11.160 13.331 -8.232 1.00 0.00 C ATOM 122 CG ARG A 12 -11.619 12.391 -9.334 1.00 0.00 C ATOM 123 CD ARG A 12 -11.360 10.937 -8.970 1.00 0.00 C ATOM 124 NE ARG A 12 -12.465 10.359 -8.209 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.633 9.052 -8.036 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.773 8.194 -8.566 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.662 8.602 -7.330 1.00 0.00 N ATOM 0 H ARG A 12 -8.530 11.805 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.288 13.596 -9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.458 12.920 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.673 14.286 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.683 12.537 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.099 12.633 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.204 10.358 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.442 10.867 -8.386 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.144 10.993 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.980 8.536 -9.108 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.904 7.191 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.325 9.259 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.790 7.599 -7.198 1.00 0.00 H new ATOM 141 N LYS A 13 -8.127 15.062 -7.060 1.00 0.00 N ATOM 142 CA LYS A 13 -7.708 16.299 -6.412 1.00 0.00 C ATOM 143 C LYS A 13 -6.629 17.002 -7.229 1.00 0.00 C ATOM 144 O LYS A 13 -5.892 16.381 -7.995 1.00 0.00 O ATOM 145 CB LYS A 13 -7.188 16.009 -5.002 1.00 0.00 C ATOM 146 CG LYS A 13 -8.284 15.663 -4.009 1.00 0.00 C ATOM 147 CD LYS A 13 -8.783 16.897 -3.276 1.00 0.00 C ATOM 148 CE LYS A 13 -9.823 16.538 -2.225 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.138 17.694 -1.340 1.00 0.00 N ATOM 0 H LYS A 13 -7.413 14.334 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.574 16.957 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.478 15.184 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.642 16.880 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.114 15.189 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.907 14.938 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.943 17.404 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.214 17.597 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.734 16.198 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.458 15.707 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.850 17.409 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.274 18.003 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.511 18.478 -1.913 1.00 0.00 H new ATOM 163 N PRO A 14 -6.530 18.330 -7.062 1.00 0.00 N ATOM 164 CA PRO A 14 -5.542 19.145 -7.774 1.00 0.00 C ATOM 165 C PRO A 14 -4.119 18.881 -7.296 1.00 0.00 C ATOM 166 O PRO A 14 -3.883 18.671 -6.105 1.00 0.00 O ATOM 167 CB PRO A 14 -5.961 20.580 -7.441 1.00 0.00 C ATOM 168 CG PRO A 14 -6.685 20.472 -6.144 1.00 0.00 C ATOM 169 CD PRO A 14 -7.375 19.136 -6.166 1.00 0.00 C ATOM 0 HA PRO A 14 -5.527 18.927 -8.842 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.095 21.236 -7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.602 20.996 -8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.994 20.541 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.406 21.282 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.435 18.699 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.395 19.217 -6.541 1.00 0.00 H new ATOM 177 N ILE A 15 -3.174 18.893 -8.229 1.00 0.00 N ATOM 178 CA ILE A 15 -1.774 18.655 -7.902 1.00 0.00 C ATOM 179 C ILE A 15 -0.967 19.948 -7.967 1.00 0.00 C ATOM 180 O ILE A 15 -1.220 20.808 -8.810 1.00 0.00 O ATOM 181 CB ILE A 15 -1.141 17.620 -8.850 1.00 0.00 C ATOM 182 CG1 ILE A 15 -1.913 16.300 -8.788 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.322 17.401 -8.495 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.606 15.367 -9.938 1.00 0.00 C ATOM 0 H ILE A 15 -3.352 19.065 -9.218 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.750 18.265 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.194 18.003 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.681 15.796 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.982 16.513 -8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.755 16.667 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.863 18.343 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.397 17.036 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.188 14.452 -9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.865 15.852 -10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.544 15.124 -9.935 1.00 0.00 H new ATOM 196 N GLY A 16 0.007 20.078 -7.071 1.00 0.00 N ATOM 197 CA GLY A 16 0.838 21.268 -7.046 1.00 0.00 C ATOM 198 C GLY A 16 2.061 21.140 -7.932 1.00 0.00 C ATOM 199 O GLY A 16 2.628 20.056 -8.066 1.00 0.00 O ATOM 0 H GLY A 16 0.235 19.381 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.248 22.126 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.154 21.465 -6.022 1.00 0.00 H new ATOM 203 N ALA A 17 2.468 22.250 -8.539 1.00 0.00 N ATOM 204 CA ALA A 17 3.631 22.258 -9.417 1.00 0.00 C ATOM 205 C ALA A 17 4.869 21.740 -8.692 1.00 0.00 C ATOM 206 O ALA A 17 5.620 20.926 -9.230 1.00 0.00 O ATOM 207 CB ALA A 17 3.879 23.660 -9.953 1.00 0.00 C ATOM 0 H ALA A 17 2.009 23.155 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 17 3.427 21.592 -10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.751 23.650 -10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.007 23.994 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.057 24.341 -9.121 1.00 0.00 H new ATOM 213 N ASP A 18 5.076 22.218 -7.470 1.00 0.00 N ATOM 214 CA ASP A 18 6.223 21.803 -6.671 1.00 0.00 C ATOM 215 C ASP A 18 6.143 20.317 -6.336 1.00 0.00 C ATOM 216 O ASP A 18 7.160 19.623 -6.299 1.00 0.00 O ATOM 217 CB ASP A 18 6.299 22.625 -5.383 1.00 0.00 C ATOM 218 CG ASP A 18 7.722 22.798 -4.889 1.00 0.00 C ATOM 219 OD1 ASP A 18 8.596 23.145 -5.710 1.00 0.00 O ATOM 220 OD2 ASP A 18 7.961 22.584 -3.682 1.00 0.00 O ATOM 0 H ASP A 18 4.464 22.893 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 18 7.125 21.977 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.855 23.606 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.706 22.138 -4.609 1.00 0.00 H new ATOM 225 N SER A 19 4.929 19.834 -6.093 1.00 0.00 N ATOM 226 CA SER A 19 4.717 18.431 -5.757 1.00 0.00 C ATOM 227 C SER A 19 5.064 17.531 -6.939 1.00 0.00 C ATOM 228 O SER A 19 4.458 17.626 -8.006 1.00 0.00 O ATOM 229 CB SER A 19 3.265 18.200 -5.334 1.00 0.00 C ATOM 230 OG SER A 19 3.091 18.447 -3.950 1.00 0.00 O ATOM 0 H SER A 19 4.077 20.394 -6.123 1.00 0.00 H new ATOM 0 HA SER A 19 5.375 18.178 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.608 18.853 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.975 17.174 -5.563 1.00 0.00 H new ATOM 0 HG SER A 19 2.154 18.294 -3.706 1.00 0.00 H new ATOM 236 N LYS A 20 6.045 16.657 -6.740 1.00 0.00 N ATOM 237 CA LYS A 20 6.474 15.737 -7.787 1.00 0.00 C ATOM 238 C LYS A 20 5.331 14.818 -8.206 1.00 0.00 C ATOM 239 O LYS A 20 4.978 13.885 -7.487 1.00 0.00 O ATOM 240 CB LYS A 20 7.663 14.902 -7.305 1.00 0.00 C ATOM 241 CG LYS A 20 8.989 15.639 -7.368 1.00 0.00 C ATOM 242 CD LYS A 20 9.108 16.669 -6.257 1.00 0.00 C ATOM 243 CE LYS A 20 10.491 17.303 -6.230 1.00 0.00 C ATOM 244 NZ LYS A 20 10.797 17.910 -4.905 1.00 0.00 N ATOM 0 H LYS A 20 6.558 16.566 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 20 6.778 16.327 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.481 14.585 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.730 13.998 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.808 14.924 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.086 16.133 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.354 17.444 -6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.905 16.195 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.241 16.548 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.555 18.068 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.748 18.331 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.096 18.648 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.761 17.175 -4.170 1.00 0.00 H new ATOM 258 N GLU A 21 4.758 15.089 -9.375 1.00 0.00 N ATOM 259 CA GLU A 21 3.656 14.286 -9.889 1.00 0.00 C ATOM 260 C GLU A 21 4.147 13.303 -10.949 1.00 0.00 C ATOM 261 O GLU A 21 5.275 13.406 -11.432 1.00 0.00 O ATOM 262 CB GLU A 21 2.569 15.188 -10.479 1.00 0.00 C ATOM 263 CG GLU A 21 2.960 15.826 -11.801 1.00 0.00 C ATOM 264 CD GLU A 21 2.277 17.161 -12.028 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.094 17.294 -11.651 1.00 0.00 O ATOM 266 OE2 GLU A 21 2.926 18.073 -12.583 1.00 0.00 O ATOM 0 H GLU A 21 5.039 15.858 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 21 3.236 13.719 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.661 14.602 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.332 15.974 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.041 15.966 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.706 15.149 -12.616 1.00 0.00 H new ATOM 273 N VAL A 22 3.291 12.351 -11.306 1.00 0.00 N ATOM 274 CA VAL A 22 3.636 11.350 -12.309 1.00 0.00 C ATOM 275 C VAL A 22 2.702 11.431 -13.510 1.00 0.00 C ATOM 276 O VAL A 22 1.553 10.990 -13.449 1.00 0.00 O ATOM 277 CB VAL A 22 3.579 9.926 -11.723 1.00 0.00 C ATOM 278 CG1 VAL A 22 3.956 8.899 -12.779 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.489 9.813 -10.509 1.00 0.00 C ATOM 0 H VAL A 22 2.354 12.252 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 22 4.656 11.562 -12.631 1.00 0.00 H new ATOM 0 HB VAL A 22 2.557 9.724 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.910 7.899 -12.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.260 8.965 -13.616 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.968 9.095 -13.133 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.436 8.801 -10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.515 10.034 -10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.168 10.523 -9.746 1.00 0.00 H new ATOM 289 N HIS A 23 3.201 11.996 -14.605 1.00 0.00 N ATOM 290 CA HIS A 23 2.411 12.135 -15.823 1.00 0.00 C ATOM 291 C HIS A 23 2.627 10.941 -16.749 1.00 0.00 C ATOM 292 O HIS A 23 3.726 10.733 -17.263 1.00 0.00 O ATOM 293 CB HIS A 23 2.776 13.430 -16.548 1.00 0.00 C ATOM 294 CG HIS A 23 2.273 13.489 -17.958 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.813 14.322 -18.915 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.274 12.812 -18.570 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.166 14.155 -20.055 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.228 13.244 -19.873 1.00 0.00 N ATOM 0 H HIS A 23 4.149 12.365 -14.674 1.00 0.00 H new ATOM 0 HA HIS A 23 1.358 12.170 -15.542 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.372 14.275 -15.991 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.860 13.541 -16.553 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.632 12.070 -18.118 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.370 14.676 -20.979 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.575 12.915 -20.584 1.00 0.00 H new ATOM 307 N TYR A 24 1.573 10.160 -16.955 1.00 0.00 N ATOM 308 CA TYR A 24 1.648 8.986 -17.815 1.00 0.00 C ATOM 309 C TYR A 24 0.289 8.678 -18.436 1.00 0.00 C ATOM 310 O TYR A 24 -0.753 8.871 -17.809 1.00 0.00 O ATOM 311 CB TYR A 24 2.144 7.776 -17.021 1.00 0.00 C ATOM 312 CG TYR A 24 2.901 6.771 -17.859 1.00 0.00 C ATOM 313 CD1 TYR A 24 4.141 7.084 -18.403 1.00 0.00 C ATOM 314 CD2 TYR A 24 2.377 5.509 -18.108 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.836 6.170 -19.170 1.00 0.00 C ATOM 316 CE2 TYR A 24 3.066 4.587 -18.872 1.00 0.00 C ATOM 317 CZ TYR A 24 4.295 4.922 -19.401 1.00 0.00 C ATOM 318 OH TYR A 24 4.984 4.007 -20.165 1.00 0.00 O ATOM 0 H TYR A 24 0.656 10.319 -16.538 1.00 0.00 H new ATOM 0 HA TYR A 24 2.354 9.200 -18.617 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.789 8.122 -16.213 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.290 7.281 -16.558 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.569 8.059 -18.223 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.414 5.244 -17.697 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.798 6.431 -19.587 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.645 3.609 -19.054 1.00 0.00 H new ATOM 0 HH TYR A 24 4.465 3.178 -20.230 1.00 0.00 H new ATOM 328 N LYS A 25 0.307 8.195 -19.674 1.00 0.00 N ATOM 329 CA LYS A 25 -0.922 7.857 -20.382 1.00 0.00 C ATOM 330 C LYS A 25 -1.924 9.006 -20.313 1.00 0.00 C ATOM 331 O LYS A 25 -3.115 8.790 -20.096 1.00 0.00 O ATOM 332 CB LYS A 25 -1.543 6.589 -19.792 1.00 0.00 C ATOM 333 CG LYS A 25 -0.673 5.355 -19.953 1.00 0.00 C ATOM 334 CD LYS A 25 -1.513 4.102 -20.140 1.00 0.00 C ATOM 335 CE LYS A 25 -1.772 3.819 -21.611 1.00 0.00 C ATOM 336 NZ LYS A 25 -2.796 2.754 -21.799 1.00 0.00 N ATOM 0 H LYS A 25 1.160 8.029 -20.208 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.671 7.679 -21.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.739 6.750 -18.732 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.506 6.409 -20.270 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.013 5.483 -20.811 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.037 5.240 -19.076 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.004 3.251 -19.689 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.463 4.218 -19.618 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.104 4.733 -22.104 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.842 3.517 -22.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.944 2.590 -22.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.468 1.875 -21.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.691 3.052 -21.362 1.00 0.00 H new ATOM 350 N ASN A 26 -1.431 10.226 -20.500 1.00 0.00 N ATOM 351 CA ASN A 26 -2.284 11.409 -20.460 1.00 0.00 C ATOM 352 C ASN A 26 -2.984 11.529 -19.110 1.00 0.00 C ATOM 353 O ASN A 26 -4.083 12.076 -19.015 1.00 0.00 O ATOM 354 CB ASN A 26 -3.322 11.353 -21.582 1.00 0.00 C ATOM 355 CG ASN A 26 -3.831 12.729 -21.968 1.00 0.00 C ATOM 356 OD1 ASN A 26 -3.861 13.645 -21.146 1.00 0.00 O ATOM 357 ND2 ASN A 26 -4.236 12.879 -23.224 1.00 0.00 N ATOM 0 H ASN A 26 -0.446 10.422 -20.681 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.653 12.286 -20.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.883 10.873 -22.456 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.161 10.733 -21.266 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.590 13.781 -23.541 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.193 12.092 -23.871 1.00 0.00 H new ATOM 364 N ARG A 27 -2.340 11.014 -18.068 1.00 0.00 N ATOM 365 CA ARG A 27 -2.901 11.063 -16.723 1.00 0.00 C ATOM 366 C ARG A 27 -1.881 11.610 -15.728 1.00 0.00 C ATOM 367 O ARG A 27 -0.748 11.923 -16.093 1.00 0.00 O ATOM 368 CB ARG A 27 -3.358 9.669 -16.287 1.00 0.00 C ATOM 369 CG ARG A 27 -4.588 9.172 -17.028 1.00 0.00 C ATOM 370 CD ARG A 27 -5.372 8.169 -16.195 1.00 0.00 C ATOM 371 NE ARG A 27 -6.673 7.866 -16.786 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.834 7.076 -17.842 1.00 0.00 C ATOM 373 NH1 ARG A 27 -5.781 6.513 -18.420 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.050 6.848 -18.322 1.00 0.00 N ATOM 0 H ARG A 27 -1.430 10.558 -18.129 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.762 11.732 -16.739 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.542 8.963 -16.441 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.569 9.683 -15.218 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.229 10.017 -17.280 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.286 8.709 -17.968 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.795 7.249 -16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.514 8.565 -15.189 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.503 8.284 -16.365 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.845 6.686 -18.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.907 5.907 -19.231 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.862 7.279 -17.880 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.173 6.241 -19.133 1.00 0.00 H new ATOM 388 N PHE A 28 -2.292 11.722 -14.469 1.00 0.00 N ATOM 389 CA PHE A 28 -1.415 12.233 -13.422 1.00 0.00 C ATOM 390 C PHE A 28 -1.788 11.642 -12.065 1.00 0.00 C ATOM 391 O PHE A 28 -2.946 11.690 -11.652 1.00 0.00 O ATOM 392 CB PHE A 28 -1.491 13.760 -13.363 1.00 0.00 C ATOM 393 CG PHE A 28 -1.431 14.415 -14.714 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.584 14.606 -15.458 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.221 14.841 -15.238 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.531 15.208 -16.701 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.162 15.444 -16.481 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.319 15.628 -17.212 1.00 0.00 C ATOM 0 H PHE A 28 -3.226 11.466 -14.149 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.394 11.936 -13.661 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.417 14.051 -12.868 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.671 14.133 -12.750 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.535 14.281 -15.062 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.686 14.700 -14.669 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.437 15.350 -17.272 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.787 15.770 -16.879 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.276 16.100 -18.182 1.00 0.00 H new ATOM 408 N TRP A 29 -0.797 11.085 -11.378 1.00 0.00 N ATOM 409 CA TRP A 29 -1.020 10.483 -10.068 1.00 0.00 C ATOM 410 C TRP A 29 -0.093 11.095 -9.023 1.00 0.00 C ATOM 411 O TRP A 29 1.074 11.374 -9.302 1.00 0.00 O ATOM 412 CB TRP A 29 -0.804 8.970 -10.135 1.00 0.00 C ATOM 413 CG TRP A 29 -1.802 8.266 -11.005 1.00 0.00 C ATOM 414 CD1 TRP A 29 -3.008 7.754 -10.620 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.677 7.996 -12.406 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.640 7.182 -11.697 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.845 7.317 -12.804 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.693 8.262 -13.362 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.053 6.902 -14.117 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.901 7.849 -14.664 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.074 7.176 -15.032 1.00 0.00 C ATOM 0 H TRP A 29 0.168 11.038 -11.706 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.051 10.683 -9.775 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.200 8.770 -10.510 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.856 8.558 -9.127 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.406 7.793 -9.617 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.554 6.730 -11.676 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.214 8.781 -13.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.956 6.382 -14.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.147 8.048 -15.411 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.208 6.868 -16.058 1.00 0.00 H new ATOM 432 N HIS A 30 -0.619 11.302 -7.820 1.00 0.00 N ATOM 433 CA HIS A 30 0.163 11.880 -6.733 1.00 0.00 C ATOM 434 C HIS A 30 1.318 10.962 -6.346 1.00 0.00 C ATOM 435 O HIS A 30 1.298 9.766 -6.638 1.00 0.00 O ATOM 436 CB HIS A 30 -0.728 12.139 -5.518 1.00 0.00 C ATOM 437 CG HIS A 30 -1.514 13.411 -5.611 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.866 13.441 -5.880 1.00 0.00 N ATOM 439 CD2 HIS A 30 -1.131 14.701 -5.468 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.280 14.696 -5.900 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.247 15.480 -5.652 1.00 0.00 N ATOM 0 H HIS A 30 -1.583 11.078 -7.573 1.00 0.00 H new ATOM 0 HA HIS A 30 0.576 12.827 -7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.418 11.303 -5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.107 12.170 -4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.454 12.623 -6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.133 15.053 -5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.292 15.024 -6.087 1.00 0.00 H new ATOM 449 N ASP A 31 2.323 11.529 -5.688 1.00 0.00 N ATOM 450 CA ASP A 31 3.487 10.761 -5.261 1.00 0.00 C ATOM 451 C ASP A 31 3.078 9.633 -4.319 1.00 0.00 C ATOM 452 O ASP A 31 3.842 8.695 -4.087 1.00 0.00 O ATOM 453 CB ASP A 31 4.502 11.674 -4.572 1.00 0.00 C ATOM 454 CG ASP A 31 3.931 12.350 -3.340 1.00 0.00 C ATOM 455 OD1 ASP A 31 2.787 12.844 -3.413 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.628 12.385 -2.305 1.00 0.00 O ATOM 0 H ASP A 31 2.355 12.518 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 31 3.947 10.322 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.378 11.090 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.839 12.434 -5.277 1.00 0.00 H new ATOM 461 N THR A 32 1.867 9.730 -3.779 1.00 0.00 N ATOM 462 CA THR A 32 1.357 8.719 -2.861 1.00 0.00 C ATOM 463 C THR A 32 0.262 7.885 -3.515 1.00 0.00 C ATOM 464 O THR A 32 -0.128 6.837 -2.998 1.00 0.00 O ATOM 465 CB THR A 32 0.800 9.359 -1.575 1.00 0.00 C ATOM 466 OG1 THR A 32 -0.122 10.403 -1.906 1.00 0.00 O ATOM 467 CG2 THR A 32 1.925 9.921 -0.719 1.00 0.00 C ATOM 0 H THR A 32 1.221 10.498 -3.962 1.00 0.00 H new ATOM 0 HA THR A 32 2.196 8.073 -2.603 1.00 0.00 H new ATOM 0 HB THR A 32 0.283 8.586 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.472 10.803 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.507 10.368 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.609 9.118 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.466 10.681 -1.283 1.00 0.00 H new ATOM 475 N CYS A 33 -0.231 8.355 -4.656 1.00 0.00 N ATOM 476 CA CYS A 33 -1.282 7.652 -5.382 1.00 0.00 C ATOM 477 C CYS A 33 -0.686 6.652 -6.369 1.00 0.00 C ATOM 478 O CYS A 33 -1.071 5.483 -6.394 1.00 0.00 O ATOM 479 CB CYS A 33 -2.172 8.650 -6.126 1.00 0.00 C ATOM 480 SG CYS A 33 -3.315 9.572 -5.048 1.00 0.00 S ATOM 0 H CYS A 33 0.081 9.220 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.886 7.106 -4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.538 9.360 -6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.751 8.114 -6.878 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.869 10.534 -5.725 1.00 0.00 H new ATOM 485 N PHE A 34 0.257 7.120 -7.181 1.00 0.00 N ATOM 486 CA PHE A 34 0.906 6.268 -8.170 1.00 0.00 C ATOM 487 C PHE A 34 1.537 5.047 -7.506 1.00 0.00 C ATOM 488 O PHE A 34 2.613 5.135 -6.916 1.00 0.00 O ATOM 489 CB PHE A 34 1.974 7.057 -8.931 1.00 0.00 C ATOM 490 CG PHE A 34 2.551 6.311 -10.100 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.722 5.719 -11.039 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.923 6.200 -10.259 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.250 5.031 -12.115 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.457 5.515 -11.333 1.00 0.00 C ATOM 495 CZ PHE A 34 3.620 4.929 -12.262 1.00 0.00 C ATOM 0 H PHE A 34 0.588 8.085 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 34 0.146 5.926 -8.873 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.540 7.992 -9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.779 7.319 -8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.650 5.796 -10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.583 6.654 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.593 4.574 -12.840 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.528 5.438 -11.446 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.036 4.392 -13.102 1.00 0.00 H new ATOM 505 N ARG A 35 0.857 3.910 -7.608 1.00 0.00 N ATOM 506 CA ARG A 35 1.348 2.671 -7.017 1.00 0.00 C ATOM 507 C ARG A 35 0.682 1.459 -7.661 1.00 0.00 C ATOM 508 O ARG A 35 -0.385 1.572 -8.266 1.00 0.00 O ATOM 509 CB ARG A 35 1.093 2.664 -5.508 1.00 0.00 C ATOM 510 CG ARG A 35 -0.379 2.579 -5.140 1.00 0.00 C ATOM 511 CD ARG A 35 -0.568 2.338 -3.651 1.00 0.00 C ATOM 512 NE ARG A 35 -0.703 3.587 -2.907 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.862 4.209 -2.719 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.980 3.701 -3.219 1.00 0.00 N ATOM 515 NH2 ARG A 35 -1.904 5.343 -2.031 1.00 0.00 N ATOM 0 H ARG A 35 -0.035 3.821 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 35 2.421 2.613 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.619 1.820 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.516 3.569 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.881 3.503 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.850 1.773 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.455 1.724 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.282 1.776 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 35 0.138 4.005 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.952 2.830 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.868 4.181 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.046 5.738 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.794 5.820 -1.887 1.00 0.00 H new ATOM 529 N CYS A 36 1.319 0.300 -7.529 1.00 0.00 N ATOM 530 CA CYS A 36 0.790 -0.933 -8.099 1.00 0.00 C ATOM 531 C CYS A 36 -0.640 -1.181 -7.626 1.00 0.00 C ATOM 532 O CYS A 36 -1.132 -0.504 -6.724 1.00 0.00 O ATOM 533 CB CYS A 36 1.678 -2.119 -7.716 1.00 0.00 C ATOM 534 SG CYS A 36 1.484 -3.572 -8.797 1.00 0.00 S ATOM 0 H CYS A 36 2.203 0.189 -7.032 1.00 0.00 H new ATOM 0 HA CYS A 36 0.783 -0.828 -9.184 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.720 -1.801 -7.737 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.454 -2.410 -6.690 1.00 0.00 H new ATOM 0 HG CYS A 36 2.588 -4.259 -8.803 1.00 0.00 H new ATOM 539 N ALA A 37 -1.299 -2.157 -8.241 1.00 0.00 N ATOM 540 CA ALA A 37 -2.670 -2.497 -7.882 1.00 0.00 C ATOM 541 C ALA A 37 -2.736 -3.852 -7.185 1.00 0.00 C ATOM 542 O ALA A 37 -3.731 -4.182 -6.540 1.00 0.00 O ATOM 543 CB ALA A 37 -3.556 -2.495 -9.120 1.00 0.00 C ATOM 0 H ALA A 37 -0.906 -2.726 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.034 -1.742 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.577 -2.751 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.543 -1.505 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.183 -3.228 -9.835 1.00 0.00 H new ATOM 549 N LYS A 38 -1.670 -4.633 -7.318 1.00 0.00 N ATOM 550 CA LYS A 38 -1.605 -5.952 -6.701 1.00 0.00 C ATOM 551 C LYS A 38 -0.863 -5.893 -5.369 1.00 0.00 C ATOM 552 O LYS A 38 -1.356 -6.380 -4.351 1.00 0.00 O ATOM 553 CB LYS A 38 -0.912 -6.943 -7.639 1.00 0.00 C ATOM 554 CG LYS A 38 -1.371 -8.379 -7.451 1.00 0.00 C ATOM 555 CD LYS A 38 -1.142 -9.206 -8.706 1.00 0.00 C ATOM 556 CE LYS A 38 -2.314 -9.093 -9.669 1.00 0.00 C ATOM 557 NZ LYS A 38 -2.271 -10.147 -10.720 1.00 0.00 N ATOM 0 H LYS A 38 -0.838 -4.375 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.625 -6.289 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.096 -6.643 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.165 -6.890 -7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.834 -8.827 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.430 -8.393 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.230 -8.873 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.994 -10.251 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.249 -9.171 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.304 -8.110 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.958 -9.920 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.316 -10.190 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.509 -11.067 -10.298 1.00 0.00 H new ATOM 571 N CYS A 39 0.322 -5.293 -5.383 1.00 0.00 N ATOM 572 CA CYS A 39 1.131 -5.170 -4.176 1.00 0.00 C ATOM 573 C CYS A 39 0.998 -3.775 -3.572 1.00 0.00 C ATOM 574 O CYS A 39 1.423 -3.532 -2.442 1.00 0.00 O ATOM 575 CB CYS A 39 2.600 -5.464 -4.489 1.00 0.00 C ATOM 576 SG CYS A 39 3.342 -4.330 -5.707 1.00 0.00 S ATOM 0 H CYS A 39 0.744 -4.884 -6.217 1.00 0.00 H new ATOM 0 HA CYS A 39 0.768 -5.898 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.175 -5.413 -3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.684 -6.485 -4.861 1.00 0.00 H new ATOM 0 HG CYS A 39 2.623 -4.325 -6.790 1.00 0.00 H new ATOM 581 N LEU A 40 0.406 -2.861 -4.333 1.00 0.00 N ATOM 582 CA LEU A 40 0.216 -1.490 -3.874 1.00 0.00 C ATOM 583 C LEU A 40 1.550 -0.849 -3.505 1.00 0.00 C ATOM 584 O LEU A 40 1.717 -0.331 -2.400 1.00 0.00 O ATOM 585 CB LEU A 40 -0.728 -1.460 -2.671 1.00 0.00 C ATOM 586 CG LEU A 40 -2.208 -1.704 -2.972 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.737 -0.652 -3.934 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.413 -3.101 -3.540 1.00 0.00 C ATOM 0 H LEU A 40 0.049 -3.045 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.227 -0.918 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.395 -2.211 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.632 -0.490 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.767 -1.627 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.791 -0.841 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.625 0.337 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.175 -0.696 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.471 -3.257 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.842 -3.206 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.072 -3.842 -2.816 1.00 0.00 H new ATOM 600 N HIS A 41 2.497 -0.886 -4.437 1.00 0.00 N ATOM 601 CA HIS A 41 3.816 -0.307 -4.210 1.00 0.00 C ATOM 602 C HIS A 41 4.026 0.925 -5.085 1.00 0.00 C ATOM 603 O HIS A 41 3.587 0.982 -6.234 1.00 0.00 O ATOM 604 CB HIS A 41 4.906 -1.341 -4.493 1.00 0.00 C ATOM 605 CG HIS A 41 6.291 -0.770 -4.480 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.203 -1.033 -3.480 1.00 0.00 N ATOM 607 CD2 HIS A 41 6.918 0.052 -5.353 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.331 -0.395 -3.737 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.184 0.270 -4.869 1.00 0.00 N ATOM 0 H HIS A 41 2.375 -1.311 -5.356 1.00 0.00 H new ATOM 0 HA HIS A 41 3.878 -0.003 -3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.843 -2.136 -3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.719 -1.797 -5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.500 0.460 -6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.221 -0.414 -3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.896 0.851 -5.312 1.00 0.00 H new ATOM 618 N PRO A 42 4.713 1.935 -4.531 1.00 0.00 N ATOM 619 CA PRO A 42 4.997 3.184 -5.244 1.00 0.00 C ATOM 620 C PRO A 42 6.002 2.991 -6.375 1.00 0.00 C ATOM 621 O PRO A 42 7.179 2.722 -6.133 1.00 0.00 O ATOM 622 CB PRO A 42 5.583 4.088 -4.156 1.00 0.00 C ATOM 623 CG PRO A 42 6.154 3.149 -3.151 1.00 0.00 C ATOM 624 CD PRO A 42 5.266 1.935 -3.167 1.00 0.00 C ATOM 0 HA PRO A 42 4.106 3.592 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.350 4.749 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.816 4.723 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.181 2.885 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.176 3.603 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.827 1.024 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.480 2.002 -2.415 1.00 0.00 H new ATOM 632 N LEU A 43 5.530 3.130 -7.609 1.00 0.00 N ATOM 633 CA LEU A 43 6.388 2.971 -8.778 1.00 0.00 C ATOM 634 C LEU A 43 7.029 4.300 -9.167 1.00 0.00 C ATOM 635 O LEU A 43 7.415 4.500 -10.318 1.00 0.00 O ATOM 636 CB LEU A 43 5.583 2.416 -9.954 1.00 0.00 C ATOM 637 CG LEU A 43 5.183 0.943 -9.858 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.331 0.113 -9.306 1.00 0.00 C ATOM 639 CD2 LEU A 43 3.942 0.783 -8.992 1.00 0.00 C ATOM 0 H LEU A 43 4.558 3.352 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 43 7.180 2.267 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.676 3.012 -10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.165 2.555 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 43 4.951 0.583 -10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.028 -0.932 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.194 0.202 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.595 0.473 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.672 -0.271 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.146 1.160 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.118 1.346 -9.430 1.00 0.00 H new ATOM 651 N ALA A 44 7.141 5.203 -8.199 1.00 0.00 N ATOM 652 CA ALA A 44 7.739 6.510 -8.440 1.00 0.00 C ATOM 653 C ALA A 44 9.192 6.376 -8.883 1.00 0.00 C ATOM 654 O ALA A 44 9.624 7.029 -9.831 1.00 0.00 O ATOM 655 CB ALA A 44 7.643 7.372 -7.189 1.00 0.00 C ATOM 0 H ALA A 44 6.826 5.053 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 44 7.185 6.993 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.093 8.346 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.596 7.504 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.171 6.884 -6.370 1.00 0.00 H new ATOM 661 N ASN A 45 9.941 5.526 -8.189 1.00 0.00 N ATOM 662 CA ASN A 45 11.347 5.308 -8.510 1.00 0.00 C ATOM 663 C ASN A 45 11.566 3.903 -9.064 1.00 0.00 C ATOM 664 O ASN A 45 12.699 3.497 -9.321 1.00 0.00 O ATOM 665 CB ASN A 45 12.215 5.519 -7.268 1.00 0.00 C ATOM 666 CG ASN A 45 11.996 6.880 -6.635 1.00 0.00 C ATOM 667 OD1 ASN A 45 12.271 7.913 -7.246 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.498 6.886 -5.404 1.00 0.00 N ATOM 0 H ASN A 45 9.598 4.977 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 45 11.636 6.031 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.994 4.741 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.265 5.412 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.329 7.771 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.285 6.005 -4.936 1.00 0.00 H new ATOM 675 N GLU A 46 10.474 3.167 -9.246 1.00 0.00 N ATOM 676 CA GLU A 46 10.548 1.808 -9.769 1.00 0.00 C ATOM 677 C GLU A 46 9.843 1.706 -11.119 1.00 0.00 C ATOM 678 O GLU A 46 9.007 2.542 -11.462 1.00 0.00 O ATOM 679 CB GLU A 46 9.923 0.822 -8.780 1.00 0.00 C ATOM 680 CG GLU A 46 10.925 0.214 -7.812 1.00 0.00 C ATOM 681 CD GLU A 46 12.054 -0.510 -8.519 1.00 0.00 C ATOM 682 OE1 GLU A 46 11.849 -1.673 -8.926 1.00 0.00 O ATOM 683 OE2 GLU A 46 13.141 0.086 -8.666 1.00 0.00 O ATOM 0 H GLU A 46 9.528 3.489 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 46 11.599 1.556 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.146 1.333 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.436 0.021 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.341 1.001 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.409 -0.483 -7.151 1.00 0.00 H new ATOM 690 N THR A 47 10.188 0.674 -11.883 1.00 0.00 N ATOM 691 CA THR A 47 9.591 0.462 -13.196 1.00 0.00 C ATOM 692 C THR A 47 8.162 -0.054 -13.073 1.00 0.00 C ATOM 693 O THR A 47 7.809 -0.707 -12.091 1.00 0.00 O ATOM 694 CB THR A 47 10.415 -0.535 -14.033 1.00 0.00 C ATOM 695 OG1 THR A 47 11.791 -0.137 -14.054 1.00 0.00 O ATOM 696 CG2 THR A 47 9.883 -0.615 -15.456 1.00 0.00 C ATOM 0 H THR A 47 10.878 -0.028 -11.615 1.00 0.00 H new ATOM 0 HA THR A 47 9.583 1.429 -13.700 1.00 0.00 H new ATOM 0 HB THR A 47 10.329 -1.520 -13.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.308 -0.777 -14.586 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.480 -1.325 -16.028 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.845 -0.946 -15.438 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.943 0.368 -15.923 1.00 0.00 H new ATOM 704 N PHE A 48 7.343 0.241 -14.077 1.00 0.00 N ATOM 705 CA PHE A 48 5.951 -0.193 -14.082 1.00 0.00 C ATOM 706 C PHE A 48 5.513 -0.602 -15.485 1.00 0.00 C ATOM 707 O PHE A 48 6.220 -0.360 -16.463 1.00 0.00 O ATOM 708 CB PHE A 48 5.045 0.923 -13.557 1.00 0.00 C ATOM 709 CG PHE A 48 4.899 2.074 -14.511 1.00 0.00 C ATOM 710 CD1 PHE A 48 5.816 3.113 -14.510 1.00 0.00 C ATOM 711 CD2 PHE A 48 3.844 2.118 -15.408 1.00 0.00 C ATOM 712 CE1 PHE A 48 5.684 4.173 -15.386 1.00 0.00 C ATOM 713 CE2 PHE A 48 3.707 3.175 -16.287 1.00 0.00 C ATOM 714 CZ PHE A 48 4.628 4.205 -16.275 1.00 0.00 C ATOM 0 H PHE A 48 7.620 0.779 -14.898 1.00 0.00 H new ATOM 0 HA PHE A 48 5.865 -1.060 -13.427 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.059 0.510 -13.345 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.446 1.292 -12.613 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.644 3.094 -13.816 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.120 1.317 -15.420 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.406 4.976 -15.375 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.881 3.196 -16.983 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.522 5.033 -16.960 1.00 0.00 H new ATOM 724 N VAL A 49 4.342 -1.224 -15.575 1.00 0.00 N ATOM 725 CA VAL A 49 3.809 -1.667 -16.858 1.00 0.00 C ATOM 726 C VAL A 49 2.304 -1.436 -16.937 1.00 0.00 C ATOM 727 O VAL A 49 1.570 -1.732 -15.995 1.00 0.00 O ATOM 728 CB VAL A 49 4.101 -3.160 -17.102 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.511 -3.609 -18.430 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.598 -3.424 -17.058 1.00 0.00 C ATOM 0 H VAL A 49 3.744 -1.433 -14.775 1.00 0.00 H new ATOM 0 HA VAL A 49 4.306 -1.076 -17.628 1.00 0.00 H new ATOM 0 HB VAL A 49 3.630 -3.739 -16.308 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.727 -4.666 -18.585 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.432 -3.457 -18.419 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.951 -3.026 -19.239 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.786 -4.483 -17.232 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.094 -2.836 -17.830 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.989 -3.142 -16.080 1.00 0.00 H new ATOM 740 N ALA A 50 1.851 -0.903 -18.067 1.00 0.00 N ATOM 741 CA ALA A 50 0.433 -0.634 -18.270 1.00 0.00 C ATOM 742 C ALA A 50 -0.225 -1.742 -19.085 1.00 0.00 C ATOM 743 O ALA A 50 0.016 -1.870 -20.286 1.00 0.00 O ATOM 744 CB ALA A 50 0.245 0.711 -18.956 1.00 0.00 C ATOM 0 H ALA A 50 2.446 -0.649 -18.856 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.049 -0.603 -17.293 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.819 0.900 -19.102 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.672 1.499 -18.335 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.747 0.699 -19.923 1.00 0.00 H new ATOM 750 N LYS A 51 -1.056 -2.541 -18.425 1.00 0.00 N ATOM 751 CA LYS A 51 -1.750 -3.639 -19.088 1.00 0.00 C ATOM 752 C LYS A 51 -3.177 -3.775 -18.567 1.00 0.00 C ATOM 753 O LYS A 51 -3.430 -3.608 -17.373 1.00 0.00 O ATOM 754 CB LYS A 51 -0.992 -4.951 -18.876 1.00 0.00 C ATOM 755 CG LYS A 51 0.038 -5.240 -19.955 1.00 0.00 C ATOM 756 CD LYS A 51 1.070 -6.251 -19.484 1.00 0.00 C ATOM 757 CE LYS A 51 0.482 -7.652 -19.404 1.00 0.00 C ATOM 758 NZ LYS A 51 0.237 -8.228 -20.755 1.00 0.00 N ATOM 0 H LYS A 51 -1.266 -2.449 -17.431 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.791 -3.418 -20.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.492 -4.920 -17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.708 -5.772 -18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.463 -5.618 -20.846 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.538 -4.314 -20.240 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.920 -6.250 -20.167 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.448 -5.957 -18.505 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.162 -8.300 -18.851 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.454 -7.622 -18.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.032 -9.244 -20.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.574 -7.748 -21.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.081 -8.095 -21.347 1.00 0.00 H new ATOM 772 N ASP A 52 -4.105 -4.079 -19.468 1.00 0.00 N ATOM 773 CA ASP A 52 -5.506 -4.239 -19.098 1.00 0.00 C ATOM 774 C ASP A 52 -6.019 -3.004 -18.364 1.00 0.00 C ATOM 775 O ASP A 52 -6.768 -3.113 -17.394 1.00 0.00 O ATOM 776 CB ASP A 52 -5.686 -5.480 -18.221 1.00 0.00 C ATOM 777 CG ASP A 52 -7.049 -6.119 -18.395 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.263 -6.787 -19.428 1.00 0.00 O ATOM 779 OD2 ASP A 52 -7.903 -5.950 -17.499 1.00 0.00 O ATOM 0 H ASP A 52 -3.912 -4.219 -20.460 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.086 -4.363 -20.013 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.913 -6.209 -18.464 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.547 -5.205 -17.175 1.00 0.00 H new ATOM 784 N ASN A 53 -5.610 -1.830 -18.834 1.00 0.00 N ATOM 785 CA ASN A 53 -6.027 -0.574 -18.221 1.00 0.00 C ATOM 786 C ASN A 53 -5.766 -0.589 -16.718 1.00 0.00 C ATOM 787 O ASN A 53 -6.539 -0.035 -15.936 1.00 0.00 O ATOM 788 CB ASN A 53 -7.512 -0.320 -18.489 1.00 0.00 C ATOM 789 CG ASN A 53 -7.889 -0.572 -19.936 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.226 -0.091 -20.855 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.959 -1.331 -20.145 1.00 0.00 N ATOM 0 H ASN A 53 -4.990 -1.722 -19.637 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.441 0.230 -18.666 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.110 -0.963 -17.843 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.755 0.710 -18.227 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.261 -1.536 -21.098 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.479 -1.709 -19.353 1.00 0.00 H new ATOM 798 N LYS A 54 -4.670 -1.227 -16.319 1.00 0.00 N ATOM 799 CA LYS A 54 -4.304 -1.314 -14.911 1.00 0.00 C ATOM 800 C LYS A 54 -2.798 -1.158 -14.729 1.00 0.00 C ATOM 801 O LYS A 54 -2.012 -1.669 -15.527 1.00 0.00 O ATOM 802 CB LYS A 54 -4.764 -2.650 -14.324 1.00 0.00 C ATOM 803 CG LYS A 54 -6.203 -2.639 -13.839 1.00 0.00 C ATOM 804 CD LYS A 54 -6.576 -3.950 -13.168 1.00 0.00 C ATOM 805 CE LYS A 54 -6.862 -5.038 -14.191 1.00 0.00 C ATOM 806 NZ LYS A 54 -7.044 -6.370 -13.549 1.00 0.00 N ATOM 0 H LYS A 54 -4.020 -1.692 -16.953 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.802 -0.501 -14.382 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.650 -3.427 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.111 -2.916 -13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.345 -1.817 -13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.870 -2.458 -14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.765 -4.269 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.453 -3.801 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.759 -4.780 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.041 -5.089 -14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.237 -7.084 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.179 -6.628 -13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.844 -6.329 -12.885 1.00 0.00 H new ATOM 820 N ILE A 55 -2.403 -0.451 -13.676 1.00 0.00 N ATOM 821 CA ILE A 55 -0.991 -0.232 -13.390 1.00 0.00 C ATOM 822 C ILE A 55 -0.415 -1.371 -12.555 1.00 0.00 C ATOM 823 O ILE A 55 -0.966 -1.733 -11.514 1.00 0.00 O ATOM 824 CB ILE A 55 -0.768 1.098 -12.645 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.340 2.263 -13.455 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.714 1.311 -12.374 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.647 2.474 -14.783 1.00 0.00 C ATOM 0 H ILE A 55 -3.041 -0.020 -13.007 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.477 -0.193 -14.350 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.290 1.054 -11.689 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.401 2.085 -13.632 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.264 3.177 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.856 2.255 -11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.093 0.493 -11.761 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.256 1.338 -13.319 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.105 3.316 -15.303 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.409 2.683 -14.613 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.745 1.575 -15.392 1.00 0.00 H new ATOM 839 N LEU A 56 0.696 -1.933 -13.018 1.00 0.00 N ATOM 840 CA LEU A 56 1.349 -3.031 -12.314 1.00 0.00 C ATOM 841 C LEU A 56 2.865 -2.867 -12.335 1.00 0.00 C ATOM 842 O LEU A 56 3.412 -2.161 -13.184 1.00 0.00 O ATOM 843 CB LEU A 56 0.961 -4.369 -12.945 1.00 0.00 C ATOM 844 CG LEU A 56 -0.486 -4.816 -12.734 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.810 -6.011 -13.617 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.733 -5.150 -11.270 1.00 0.00 C ATOM 0 H LEU A 56 1.164 -1.646 -13.878 1.00 0.00 H new ATOM 0 HA LEU A 56 1.015 -3.014 -11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.150 -4.311 -14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.620 -5.140 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.144 -3.994 -13.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.844 -6.315 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.674 -5.738 -14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.145 -6.838 -13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.768 -5.466 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.066 -5.955 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.543 -4.268 -10.658 1.00 0.00 H new ATOM 858 N CYS A 57 3.539 -3.524 -11.397 1.00 0.00 N ATOM 859 CA CYS A 57 4.993 -3.452 -11.308 1.00 0.00 C ATOM 860 C CYS A 57 5.636 -4.693 -11.921 1.00 0.00 C ATOM 861 O CYS A 57 5.008 -5.745 -12.023 1.00 0.00 O ATOM 862 CB CYS A 57 5.429 -3.306 -9.849 1.00 0.00 C ATOM 863 SG CYS A 57 5.197 -4.812 -8.850 1.00 0.00 S ATOM 0 H CYS A 57 3.102 -4.112 -10.688 1.00 0.00 H new ATOM 0 HA CYS A 57 5.324 -2.577 -11.868 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.481 -3.023 -9.822 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.868 -2.490 -9.393 1.00 0.00 H new ATOM 0 HG CYS A 57 4.534 -4.519 -7.771 1.00 0.00 H new ATOM 868 N ASN A 58 6.895 -4.560 -12.328 1.00 0.00 N ATOM 869 CA ASN A 58 7.624 -5.669 -12.932 1.00 0.00 C ATOM 870 C ASN A 58 7.520 -6.922 -12.068 1.00 0.00 C ATOM 871 O ASN A 58 7.241 -8.013 -12.567 1.00 0.00 O ATOM 872 CB ASN A 58 9.094 -5.293 -13.129 1.00 0.00 C ATOM 873 CG ASN A 58 9.713 -4.702 -11.876 1.00 0.00 C ATOM 874 OD1 ASN A 58 10.244 -5.424 -11.033 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.645 -3.382 -11.750 1.00 0.00 N ATOM 0 H ASN A 58 7.431 -3.696 -12.250 1.00 0.00 H new ATOM 0 HA ASN A 58 7.176 -5.880 -13.903 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.656 -6.179 -13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.176 -4.575 -13.945 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.043 -2.927 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.195 -2.823 -12.475 1.00 0.00 H new ATOM 882 N LYS A 59 7.744 -6.759 -10.769 1.00 0.00 N ATOM 883 CA LYS A 59 7.674 -7.876 -9.834 1.00 0.00 C ATOM 884 C LYS A 59 6.398 -8.684 -10.046 1.00 0.00 C ATOM 885 O LYS A 59 6.437 -9.910 -10.152 1.00 0.00 O ATOM 886 CB LYS A 59 7.733 -7.365 -8.392 1.00 0.00 C ATOM 887 CG LYS A 59 9.021 -6.632 -8.059 1.00 0.00 C ATOM 888 CD LYS A 59 10.139 -7.600 -7.709 1.00 0.00 C ATOM 889 CE LYS A 59 10.101 -7.987 -6.239 1.00 0.00 C ATOM 890 NZ LYS A 59 11.379 -8.612 -5.797 1.00 0.00 N ATOM 0 H LYS A 59 7.976 -5.864 -10.339 1.00 0.00 H new ATOM 0 HA LYS A 59 8.529 -8.526 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.889 -6.697 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.618 -8.209 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.322 -6.019 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.849 -5.955 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.052 -8.495 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.102 -7.145 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.902 -7.102 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.279 -8.681 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.313 -8.862 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.557 -9.471 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.161 -7.940 -5.937 1.00 0.00 H new ATOM 904 N CYS A 60 5.267 -7.989 -10.108 1.00 0.00 N ATOM 905 CA CYS A 60 3.978 -8.641 -10.308 1.00 0.00 C ATOM 906 C CYS A 60 3.858 -9.182 -11.730 1.00 0.00 C ATOM 907 O CYS A 60 3.695 -10.385 -11.938 1.00 0.00 O ATOM 908 CB CYS A 60 2.838 -7.661 -10.025 1.00 0.00 C ATOM 909 SG CYS A 60 2.591 -7.299 -8.257 1.00 0.00 S ATOM 0 H CYS A 60 5.217 -6.974 -10.023 1.00 0.00 H new ATOM 0 HA CYS A 60 3.909 -9.478 -9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.036 -6.728 -10.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.913 -8.068 -10.434 1.00 0.00 H new ATOM 0 HG CYS A 60 3.395 -6.344 -7.893 1.00 0.00 H new ATOM 914 N THR A 61 3.939 -8.284 -12.708 1.00 0.00 N ATOM 915 CA THR A 61 3.839 -8.670 -14.109 1.00 0.00 C ATOM 916 C THR A 61 4.535 -10.002 -14.365 1.00 0.00 C ATOM 917 O THR A 61 4.041 -10.838 -15.121 1.00 0.00 O ATOM 918 CB THR A 61 4.451 -7.599 -15.032 1.00 0.00 C ATOM 919 OG1 THR A 61 5.847 -7.450 -14.751 1.00 0.00 O ATOM 920 CG2 THR A 61 3.747 -6.262 -14.851 1.00 0.00 C ATOM 0 H THR A 61 4.074 -7.285 -12.554 1.00 0.00 H new ATOM 0 HA THR A 61 2.777 -8.770 -14.333 1.00 0.00 H new ATOM 0 HB THR A 61 4.321 -7.924 -16.064 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.051 -7.858 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.196 -5.522 -15.513 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.690 -6.372 -15.094 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.850 -5.934 -13.817 1.00 0.00 H new ATOM 1004 N PRO A 67 -3.398 -18.843 -12.006 1.00 0.00 N ATOM 1005 CA PRO A 67 -4.178 -19.403 -13.113 1.00 0.00 C ATOM 1006 C PRO A 67 -4.249 -18.458 -14.308 1.00 0.00 C ATOM 1007 O PRO A 67 -3.761 -17.329 -14.250 1.00 0.00 O ATOM 1008 CB PRO A 67 -5.568 -19.601 -12.504 1.00 0.00 C ATOM 1009 CG PRO A 67 -5.640 -18.608 -11.395 1.00 0.00 C ATOM 1010 CD PRO A 67 -4.243 -18.492 -10.852 1.00 0.00 C ATOM 0 HA PRO A 67 -3.734 -20.320 -13.502 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.352 -19.428 -13.242 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.697 -20.618 -12.134 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.999 -17.645 -11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.333 -18.937 -10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.034 -17.484 -10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.080 -19.170 -10.014 1.00 0.00 H new ATOM 1018 N LYS A 68 -4.859 -18.927 -15.391 1.00 0.00 N ATOM 1019 CA LYS A 68 -4.996 -18.123 -16.601 1.00 0.00 C ATOM 1020 C LYS A 68 -6.414 -18.212 -17.155 1.00 0.00 C ATOM 1021 O LYS A 68 -7.175 -19.113 -16.801 1.00 0.00 O ATOM 1022 CB LYS A 68 -3.993 -18.584 -17.660 1.00 0.00 C ATOM 1023 CG LYS A 68 -4.124 -20.054 -18.023 1.00 0.00 C ATOM 1024 CD LYS A 68 -3.377 -20.380 -19.306 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.912 -20.685 -19.035 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.268 -21.377 -20.186 1.00 0.00 N ATOM 0 H LYS A 68 -5.267 -19.860 -15.456 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.790 -17.084 -16.343 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.125 -17.983 -18.560 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.982 -18.397 -17.297 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.736 -20.667 -17.209 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.177 -20.309 -18.139 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.844 -21.236 -19.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.453 -19.540 -19.996 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.380 -19.757 -18.826 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.829 -21.308 -18.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.270 -21.568 -19.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.759 -22.275 -20.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.324 -20.772 -21.030 1.00 0.00 H new ATOM 1040 N CYS A 69 -6.764 -17.273 -18.027 1.00 0.00 N ATOM 1041 CA CYS A 69 -8.090 -17.245 -18.632 1.00 0.00 C ATOM 1042 C CYS A 69 -8.036 -17.714 -20.083 1.00 0.00 C ATOM 1043 O CYS A 69 -6.964 -17.794 -20.682 1.00 0.00 O ATOM 1044 CB CYS A 69 -8.676 -15.833 -18.562 1.00 0.00 C ATOM 1045 SG CYS A 69 -10.427 -15.730 -19.054 1.00 0.00 S ATOM 0 H CYS A 69 -6.147 -16.520 -18.331 1.00 0.00 H new ATOM 0 HA CYS A 69 -8.732 -17.926 -18.072 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.573 -15.458 -17.544 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.090 -15.176 -19.204 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.922 -14.593 -18.663 1.00 0.00 H new ATOM 1050 N LYS A 70 -9.201 -18.022 -20.643 1.00 0.00 N ATOM 1051 CA LYS A 70 -9.289 -18.481 -22.024 1.00 0.00 C ATOM 1052 C LYS A 70 -10.044 -17.474 -22.885 1.00 0.00 C ATOM 1053 O LYS A 70 -9.790 -17.353 -24.083 1.00 0.00 O ATOM 1054 CB LYS A 70 -9.983 -19.844 -22.087 1.00 0.00 C ATOM 1055 CG LYS A 70 -9.615 -20.658 -23.315 1.00 0.00 C ATOM 1056 CD LYS A 70 -10.005 -19.942 -24.597 1.00 0.00 C ATOM 1057 CE LYS A 70 -10.299 -20.926 -25.718 1.00 0.00 C ATOM 1058 NZ LYS A 70 -10.646 -20.232 -26.989 1.00 0.00 N ATOM 0 H LYS A 70 -10.098 -17.962 -20.161 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.276 -18.578 -22.414 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.727 -20.414 -21.194 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.062 -19.694 -22.071 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.542 -20.850 -23.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.113 -21.627 -23.273 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.883 -19.322 -24.416 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.200 -19.273 -24.901 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.430 -21.564 -25.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.122 -21.577 -25.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.839 -20.938 -27.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.490 -19.643 -26.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.851 -19.630 -27.284 1.00 0.00 H new ATOM 1072 N GLY A 71 -10.974 -16.753 -22.267 1.00 0.00 N ATOM 1073 CA GLY A 71 -11.751 -15.765 -22.992 1.00 0.00 C ATOM 1074 C GLY A 71 -10.906 -14.601 -23.471 1.00 0.00 C ATOM 1075 O GLY A 71 -11.139 -14.059 -24.552 1.00 0.00 O ATOM 0 H GLY A 71 -11.203 -16.836 -21.277 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.229 -16.240 -23.849 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.548 -15.391 -22.349 1.00 0.00 H new ATOM 1079 N CYS A 72 -9.923 -14.214 -22.665 1.00 0.00 N ATOM 1080 CA CYS A 72 -9.041 -13.106 -23.011 1.00 0.00 C ATOM 1081 C CYS A 72 -7.582 -13.553 -23.017 1.00 0.00 C ATOM 1082 O CYS A 72 -6.745 -12.970 -23.707 1.00 0.00 O ATOM 1083 CB CYS A 72 -9.229 -11.951 -22.025 1.00 0.00 C ATOM 1084 SG CYS A 72 -8.929 -12.402 -20.286 1.00 0.00 S ATOM 0 H CYS A 72 -9.717 -14.652 -21.767 1.00 0.00 H new ATOM 0 HA CYS A 72 -9.302 -12.766 -24.013 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.556 -11.139 -22.300 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -10.245 -11.568 -22.120 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.515 -13.532 -20.024 1.00 0.00 H new ATOM 1089 N PHE A 73 -7.284 -14.591 -22.242 1.00 0.00 N ATOM 1090 CA PHE A 73 -5.927 -15.117 -22.157 1.00 0.00 C ATOM 1091 C PHE A 73 -5.041 -14.200 -21.318 1.00 0.00 C ATOM 1092 O PHE A 73 -3.915 -13.883 -21.703 1.00 0.00 O ATOM 1093 CB PHE A 73 -5.331 -15.279 -23.557 1.00 0.00 C ATOM 1094 CG PHE A 73 -4.256 -16.325 -23.633 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -4.570 -17.670 -23.514 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -2.932 -15.965 -23.824 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -3.582 -18.634 -23.583 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -1.940 -16.925 -23.895 1.00 0.00 C ATOM 1099 CZ PHE A 73 -2.266 -18.262 -23.774 1.00 0.00 C ATOM 0 H PHE A 73 -7.964 -15.084 -21.664 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.972 -16.093 -21.674 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.128 -15.537 -24.255 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.920 -14.323 -23.881 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.598 -17.968 -23.366 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.672 -14.921 -23.919 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.839 -19.679 -23.488 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.912 -16.630 -24.045 1.00 0.00 H new ATOM 0 HZ PHE A 73 -1.493 -19.015 -23.829 1.00 0.00 H new ATOM 1109 N LYS A 74 -5.557 -13.777 -20.170 1.00 0.00 N ATOM 1110 CA LYS A 74 -4.815 -12.897 -19.274 1.00 0.00 C ATOM 1111 C LYS A 74 -4.703 -13.508 -17.881 1.00 0.00 C ATOM 1112 O LYS A 74 -5.539 -14.317 -17.479 1.00 0.00 O ATOM 1113 CB LYS A 74 -5.496 -11.529 -19.190 1.00 0.00 C ATOM 1114 CG LYS A 74 -5.312 -10.680 -20.435 1.00 0.00 C ATOM 1115 CD LYS A 74 -6.484 -9.736 -20.645 1.00 0.00 C ATOM 1116 CE LYS A 74 -6.280 -8.858 -21.870 1.00 0.00 C ATOM 1117 NZ LYS A 74 -6.272 -9.654 -23.128 1.00 0.00 N ATOM 0 H LYS A 74 -6.487 -14.029 -19.837 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.810 -12.771 -19.678 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.562 -11.673 -19.013 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.101 -10.988 -18.330 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.390 -10.104 -20.351 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.205 -11.327 -21.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.402 -10.313 -20.759 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.609 -9.108 -19.763 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.073 -8.111 -21.918 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.338 -8.317 -21.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.332 -9.597 -23.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.494 -10.647 -22.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.985 -9.275 -23.783 1.00 0.00 H new ATOM 1131 N ALA A 75 -3.666 -13.115 -17.149 1.00 0.00 N ATOM 1132 CA ALA A 75 -3.447 -13.621 -15.800 1.00 0.00 C ATOM 1133 C ALA A 75 -4.632 -13.303 -14.895 1.00 0.00 C ATOM 1134 O ALA A 75 -4.959 -12.137 -14.672 1.00 0.00 O ATOM 1135 CB ALA A 75 -2.166 -13.040 -15.220 1.00 0.00 C ATOM 0 H ALA A 75 -2.964 -12.447 -17.468 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.348 -14.705 -15.857 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.015 -13.426 -14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.321 -13.323 -15.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.243 -11.953 -15.184 1.00 0.00 H new ATOM 1141 N ILE A 76 -5.272 -14.346 -14.378 1.00 0.00 N ATOM 1142 CA ILE A 76 -6.421 -14.176 -13.497 1.00 0.00 C ATOM 1143 C ILE A 76 -5.980 -13.953 -12.055 1.00 0.00 C ATOM 1144 O ILE A 76 -4.974 -14.506 -11.610 1.00 0.00 O ATOM 1145 CB ILE A 76 -7.358 -15.397 -13.553 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -7.789 -15.672 -14.995 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -8.573 -15.173 -12.665 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -8.620 -16.926 -15.149 1.00 0.00 C ATOM 0 H ILE A 76 -5.015 -15.317 -14.554 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.961 -13.297 -13.849 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.817 -16.268 -13.183 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.360 -14.820 -15.364 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.901 -15.755 -15.621 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.226 -16.044 -12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.248 -15.021 -11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.116 -14.292 -13.007 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.889 -17.058 -16.197 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.044 -17.788 -14.811 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.526 -16.838 -14.550 1.00 0.00 H new ATOM 1160 N VAL A 77 -6.740 -13.141 -11.328 1.00 0.00 N ATOM 1161 CA VAL A 77 -6.430 -12.847 -9.934 1.00 0.00 C ATOM 1162 C VAL A 77 -7.349 -13.617 -8.992 1.00 0.00 C ATOM 1163 O VAL A 77 -8.521 -13.838 -9.295 1.00 0.00 O ATOM 1164 CB VAL A 77 -6.554 -11.341 -9.637 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -6.091 -11.036 -8.221 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.761 -10.531 -10.652 1.00 0.00 C ATOM 0 H VAL A 77 -7.575 -12.675 -11.681 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.399 -13.159 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.603 -11.057 -9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.186 -9.967 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.706 -11.588 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.049 -11.334 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.860 -9.469 -10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.710 -10.816 -10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.144 -10.727 -11.653 1.00 0.00 H new ATOM 1176 N ALA A 78 -6.808 -14.022 -7.848 1.00 0.00 N ATOM 1177 CA ALA A 78 -7.580 -14.766 -6.860 1.00 0.00 C ATOM 1178 C ALA A 78 -8.733 -13.927 -6.319 1.00 0.00 C ATOM 1179 O ALA A 78 -9.877 -14.378 -6.279 1.00 0.00 O ATOM 1180 CB ALA A 78 -6.680 -15.223 -5.722 1.00 0.00 C ATOM 0 H ALA A 78 -5.839 -13.848 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.002 -15.643 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.270 -15.777 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.893 -15.866 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.231 -14.354 -5.241 1.00 0.00 H new ATOM 1186 N GLY A 79 -8.424 -12.702 -5.904 1.00 0.00 N ATOM 1187 CA GLY A 79 -9.446 -11.820 -5.370 1.00 0.00 C ATOM 1188 C GLY A 79 -10.251 -11.140 -6.460 1.00 0.00 C ATOM 1189 O GLY A 79 -10.502 -9.936 -6.396 1.00 0.00 O ATOM 0 H GLY A 79 -7.485 -12.305 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.117 -12.392 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.976 -11.062 -4.743 1.00 0.00 H new ATOM 1193 N ASP A 80 -10.655 -11.910 -7.463 1.00 0.00 N ATOM 1194 CA ASP A 80 -11.436 -11.375 -8.573 1.00 0.00 C ATOM 1195 C ASP A 80 -12.479 -12.385 -9.040 1.00 0.00 C ATOM 1196 O ASP A 80 -12.173 -13.559 -9.241 1.00 0.00 O ATOM 1197 CB ASP A 80 -10.517 -10.997 -9.736 1.00 0.00 C ATOM 1198 CG ASP A 80 -10.024 -9.567 -9.643 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -10.544 -8.813 -8.793 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -9.117 -9.201 -10.419 1.00 0.00 O ATOM 0 H ASP A 80 -10.455 -12.908 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.953 -10.481 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.662 -11.673 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.051 -11.134 -10.676 1.00 0.00 H new ATOM 1205 N GLN A 81 -13.712 -11.918 -9.209 1.00 0.00 N ATOM 1206 CA GLN A 81 -14.801 -12.782 -9.651 1.00 0.00 C ATOM 1207 C GLN A 81 -14.409 -13.553 -10.907 1.00 0.00 C ATOM 1208 O GLN A 81 -14.163 -12.962 -11.958 1.00 0.00 O ATOM 1209 CB GLN A 81 -16.060 -11.954 -9.918 1.00 0.00 C ATOM 1210 CG GLN A 81 -15.815 -10.742 -10.802 1.00 0.00 C ATOM 1211 CD GLN A 81 -17.046 -9.870 -10.950 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -18.078 -10.122 -10.329 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -16.943 -8.836 -11.777 1.00 0.00 N ATOM 0 H GLN A 81 -13.982 -10.948 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.008 -13.499 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.810 -12.590 -10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -16.475 -11.621 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.003 -10.149 -10.382 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.490 -11.075 -11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.068 -8.664 -12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.739 -8.214 -11.917 1.00 0.00 H new ATOM 1222 N ASN A 82 -14.353 -14.876 -10.790 1.00 0.00 N ATOM 1223 CA ASN A 82 -13.990 -15.728 -11.916 1.00 0.00 C ATOM 1224 C ASN A 82 -14.901 -16.950 -11.990 1.00 0.00 C ATOM 1225 O ASN A 82 -15.552 -17.312 -11.010 1.00 0.00 O ATOM 1226 CB ASN A 82 -12.531 -16.172 -11.797 1.00 0.00 C ATOM 1227 CG ASN A 82 -11.642 -15.089 -11.217 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -11.709 -13.930 -11.628 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -10.804 -15.462 -10.257 1.00 0.00 N ATOM 0 H ASN A 82 -14.554 -15.381 -9.927 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.113 -15.149 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.475 -17.060 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.159 -16.455 -12.782 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.182 -14.777 -9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.783 -16.434 -9.948 1.00 0.00 H new ATOM 1236 N VAL A 83 -14.941 -17.581 -13.159 1.00 0.00 N ATOM 1237 CA VAL A 83 -15.770 -18.764 -13.361 1.00 0.00 C ATOM 1238 C VAL A 83 -14.927 -19.961 -13.782 1.00 0.00 C ATOM 1239 O VAL A 83 -14.422 -20.013 -14.903 1.00 0.00 O ATOM 1240 CB VAL A 83 -16.855 -18.513 -14.425 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -17.840 -19.672 -14.467 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -17.574 -17.201 -14.154 1.00 0.00 C ATOM 0 H VAL A 83 -14.409 -17.293 -13.981 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.250 -18.981 -12.407 1.00 0.00 H new ATOM 0 HB VAL A 83 -16.373 -18.441 -15.400 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -18.599 -19.477 -15.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.309 -20.592 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.318 -19.779 -13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -18.337 -17.040 -14.916 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.045 -17.240 -13.172 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.857 -16.381 -14.180 1.00 0.00 H new ATOM 1252 N GLU A 84 -14.778 -20.923 -12.876 1.00 0.00 N ATOM 1253 CA GLU A 84 -13.995 -22.120 -13.155 1.00 0.00 C ATOM 1254 C GLU A 84 -14.888 -23.250 -13.659 1.00 0.00 C ATOM 1255 O GLU A 84 -15.842 -23.647 -12.989 1.00 0.00 O ATOM 1256 CB GLU A 84 -13.245 -22.570 -11.899 1.00 0.00 C ATOM 1257 CG GLU A 84 -11.952 -23.310 -12.195 1.00 0.00 C ATOM 1258 CD GLU A 84 -11.598 -24.320 -11.120 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -12.225 -25.400 -11.091 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -10.694 -24.029 -10.309 1.00 0.00 O ATOM 0 H GLU A 84 -15.189 -20.896 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.272 -21.876 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.022 -21.696 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.896 -23.215 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.042 -23.822 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.140 -22.590 -12.293 1.00 0.00 H new ATOM 1267 N TYR A 85 -14.573 -23.762 -14.843 1.00 0.00 N ATOM 1268 CA TYR A 85 -15.348 -24.844 -15.439 1.00 0.00 C ATOM 1269 C TYR A 85 -14.447 -25.792 -16.224 1.00 0.00 C ATOM 1270 O TYR A 85 -13.627 -25.360 -17.035 1.00 0.00 O ATOM 1271 CB TYR A 85 -16.433 -24.277 -16.356 1.00 0.00 C ATOM 1272 CG TYR A 85 -17.244 -25.339 -17.064 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -16.770 -25.949 -18.219 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -18.484 -25.733 -16.577 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -17.507 -26.919 -18.869 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -19.228 -26.703 -17.220 1.00 0.00 C ATOM 1277 CZ TYR A 85 -18.736 -27.293 -18.365 1.00 0.00 C ATOM 1278 OH TYR A 85 -19.474 -28.260 -19.009 1.00 0.00 O ATOM 0 H TYR A 85 -13.786 -23.445 -15.410 1.00 0.00 H new ATOM 0 HA TYR A 85 -15.820 -25.405 -14.633 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.104 -23.652 -15.767 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.967 -23.631 -17.100 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.808 -25.659 -18.615 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.873 -25.273 -15.681 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -17.124 -27.382 -19.766 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -20.190 -26.998 -16.828 1.00 0.00 H new ATOM 0 HH TYR A 85 -20.313 -28.407 -18.525 1.00 0.00 H new ATOM 1288 N LYS A 86 -14.605 -27.088 -15.978 1.00 0.00 N ATOM 1289 CA LYS A 86 -13.809 -28.100 -16.662 1.00 0.00 C ATOM 1290 C LYS A 86 -12.327 -27.738 -16.632 1.00 0.00 C ATOM 1291 O LYS A 86 -11.627 -27.867 -17.635 1.00 0.00 O ATOM 1292 CB LYS A 86 -14.278 -28.255 -18.110 1.00 0.00 C ATOM 1293 CG LYS A 86 -14.118 -29.664 -18.654 1.00 0.00 C ATOM 1294 CD LYS A 86 -14.461 -29.733 -20.133 1.00 0.00 C ATOM 1295 CE LYS A 86 -15.043 -31.088 -20.507 1.00 0.00 C ATOM 1296 NZ LYS A 86 -14.075 -32.193 -20.265 1.00 0.00 N ATOM 0 H LYS A 86 -15.278 -27.463 -15.309 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.944 -29.047 -16.140 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.327 -27.966 -18.176 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.717 -27.565 -18.741 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.092 -30.000 -18.501 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.762 -30.345 -18.098 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.176 -28.948 -20.379 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.565 -29.545 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.950 -31.266 -19.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.332 -31.082 -21.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.469 -33.085 -20.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.182 -31.986 -20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.897 -32.281 -19.244 1.00 0.00 H new ATOM 1310 N GLY A 87 -11.856 -27.285 -15.474 1.00 0.00 N ATOM 1311 CA GLY A 87 -10.460 -26.913 -15.336 1.00 0.00 C ATOM 1312 C GLY A 87 -10.199 -25.479 -15.750 1.00 0.00 C ATOM 1313 O GLY A 87 -9.535 -24.728 -15.034 1.00 0.00 O ATOM 0 H GLY A 87 -12.416 -27.169 -14.629 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.151 -27.051 -14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.848 -27.580 -15.943 1.00 0.00 H new ATOM 1317 N THR A 88 -10.721 -25.095 -16.910 1.00 0.00 N ATOM 1318 CA THR A 88 -10.538 -23.742 -17.420 1.00 0.00 C ATOM 1319 C THR A 88 -11.478 -22.761 -16.728 1.00 0.00 C ATOM 1320 O THR A 88 -12.688 -22.982 -16.670 1.00 0.00 O ATOM 1321 CB THR A 88 -10.776 -23.677 -18.941 1.00 0.00 C ATOM 1322 OG1 THR A 88 -12.016 -24.313 -19.270 1.00 0.00 O ATOM 1323 CG2 THR A 88 -9.640 -24.351 -19.695 1.00 0.00 C ATOM 0 H THR A 88 -11.274 -25.702 -17.515 1.00 0.00 H new ATOM 0 HA THR A 88 -9.506 -23.463 -17.209 1.00 0.00 H new ATOM 0 HB THR A 88 -10.816 -22.628 -19.236 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.514 -24.503 -18.448 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.830 -24.293 -20.767 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.701 -23.847 -19.465 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.574 -25.397 -19.395 1.00 0.00 H new ATOM 1331 N VAL A 89 -10.915 -21.677 -16.205 1.00 0.00 N ATOM 1332 CA VAL A 89 -11.704 -20.661 -15.519 1.00 0.00 C ATOM 1333 C VAL A 89 -11.753 -19.367 -16.322 1.00 0.00 C ATOM 1334 O VAL A 89 -10.721 -18.754 -16.595 1.00 0.00 O ATOM 1335 CB VAL A 89 -11.137 -20.362 -14.118 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -9.672 -20.763 -14.038 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -11.315 -18.891 -13.775 1.00 0.00 C ATOM 0 H VAL A 89 -9.915 -21.480 -16.243 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.713 -21.060 -15.417 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.690 -20.952 -13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.289 -20.544 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.575 -21.830 -14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.100 -20.202 -14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.909 -18.697 -12.782 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.788 -18.280 -14.508 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.376 -18.640 -13.789 1.00 0.00 H new ATOM 1347 N TRP A 90 -12.959 -18.956 -16.699 1.00 0.00 N ATOM 1348 CA TRP A 90 -13.143 -17.733 -17.472 1.00 0.00 C ATOM 1349 C TRP A 90 -13.589 -16.584 -16.574 1.00 0.00 C ATOM 1350 O TRP A 90 -14.450 -16.756 -15.711 1.00 0.00 O ATOM 1351 CB TRP A 90 -14.169 -17.957 -18.583 1.00 0.00 C ATOM 1352 CG TRP A 90 -13.931 -19.212 -19.368 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -13.979 -20.494 -18.898 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -13.606 -19.304 -20.759 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -13.703 -21.377 -19.914 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -13.471 -20.672 -21.066 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -13.417 -18.364 -21.776 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -13.156 -21.120 -22.345 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -13.103 -18.811 -23.045 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -12.976 -20.178 -23.322 1.00 0.00 C ATOM 0 H TRP A 90 -13.824 -19.452 -16.482 1.00 0.00 H new ATOM 0 HA TRP A 90 -12.185 -17.468 -17.920 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -15.166 -17.995 -18.144 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -14.151 -17.104 -19.261 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -14.201 -20.772 -17.878 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -13.675 -22.393 -19.825 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -13.515 -17.308 -21.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -13.057 -22.174 -22.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -12.953 -18.093 -23.838 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -12.731 -20.495 -24.325 1.00 0.00 H new ATOM 1371 N HIS A 91 -12.999 -15.412 -16.784 1.00 0.00 N ATOM 1372 CA HIS A 91 -13.338 -14.233 -15.993 1.00 0.00 C ATOM 1373 C HIS A 91 -14.850 -14.054 -15.906 1.00 0.00 C ATOM 1374 O HIS A 91 -15.570 -14.276 -16.880 1.00 0.00 O ATOM 1375 CB HIS A 91 -12.699 -12.984 -16.601 1.00 0.00 C ATOM 1376 CG HIS A 91 -11.228 -12.877 -16.342 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -10.281 -12.921 -17.344 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -10.541 -12.726 -15.185 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -9.077 -12.803 -16.815 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -9.207 -12.683 -15.506 1.00 0.00 N ATOM 0 H HIS A 91 -12.284 -15.253 -17.494 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.948 -14.377 -14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.871 -12.985 -17.677 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -13.195 -12.100 -16.200 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.964 -12.653 -14.194 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.145 -12.804 -17.360 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.441 -12.576 -14.842 1.00 0.00 H new ATOM 1388 N LYS A 92 -15.326 -13.652 -14.732 1.00 0.00 N ATOM 1389 CA LYS A 92 -16.753 -13.443 -14.516 1.00 0.00 C ATOM 1390 C LYS A 92 -17.382 -12.716 -15.701 1.00 0.00 C ATOM 1391 O LYS A 92 -18.549 -12.933 -16.026 1.00 0.00 O ATOM 1392 CB LYS A 92 -16.983 -12.642 -13.233 1.00 0.00 C ATOM 1393 CG LYS A 92 -18.437 -12.600 -12.794 1.00 0.00 C ATOM 1394 CD LYS A 92 -18.836 -13.872 -12.065 1.00 0.00 C ATOM 1395 CE LYS A 92 -20.329 -13.903 -11.774 1.00 0.00 C ATOM 1396 NZ LYS A 92 -21.125 -14.212 -12.994 1.00 0.00 N ATOM 0 H LYS A 92 -14.744 -13.464 -13.915 1.00 0.00 H new ATOM 0 HA LYS A 92 -17.227 -14.420 -14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -16.383 -13.074 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.628 -11.622 -13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.597 -11.741 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.077 -12.463 -13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.564 -14.739 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -18.280 -13.946 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.534 -14.650 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.641 -12.939 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.129 -14.308 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.015 -13.442 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.788 -15.103 -13.412 1.00 0.00 H new ATOM 1410 N ASP A 93 -16.600 -11.855 -16.343 1.00 0.00 N ATOM 1411 CA ASP A 93 -17.080 -11.098 -17.494 1.00 0.00 C ATOM 1412 C ASP A 93 -16.999 -11.935 -18.767 1.00 0.00 C ATOM 1413 O ASP A 93 -17.945 -11.982 -19.553 1.00 0.00 O ATOM 1414 CB ASP A 93 -16.268 -9.813 -17.661 1.00 0.00 C ATOM 1415 CG ASP A 93 -14.775 -10.073 -17.701 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -14.155 -10.140 -16.619 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -14.226 -10.209 -18.815 1.00 0.00 O ATOM 0 H ASP A 93 -15.632 -11.664 -16.086 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.124 -10.838 -17.317 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.571 -9.312 -18.580 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.494 -9.134 -16.838 1.00 0.00 H new ATOM 1422 N CYS A 94 -15.862 -12.594 -18.964 1.00 0.00 N ATOM 1423 CA CYS A 94 -15.655 -13.428 -20.141 1.00 0.00 C ATOM 1424 C CYS A 94 -16.714 -14.523 -20.225 1.00 0.00 C ATOM 1425 O CYS A 94 -17.242 -14.810 -21.300 1.00 0.00 O ATOM 1426 CB CYS A 94 -14.260 -14.055 -20.110 1.00 0.00 C ATOM 1427 SG CYS A 94 -12.904 -12.865 -20.365 1.00 0.00 S ATOM 0 H CYS A 94 -15.069 -12.566 -18.323 1.00 0.00 H new ATOM 0 HA CYS A 94 -15.741 -12.794 -21.023 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -14.118 -14.551 -19.150 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -14.202 -14.825 -20.879 1.00 0.00 H new ATOM 0 HG CYS A 94 -13.220 -11.725 -19.825 1.00 0.00 H new ATOM 1432 N PHE A 95 -17.021 -15.130 -19.084 1.00 0.00 N ATOM 1433 CA PHE A 95 -18.017 -16.194 -19.028 1.00 0.00 C ATOM 1434 C PHE A 95 -19.428 -15.624 -19.136 1.00 0.00 C ATOM 1435 O PHE A 95 -20.133 -15.489 -18.135 1.00 0.00 O ATOM 1436 CB PHE A 95 -17.874 -16.988 -17.727 1.00 0.00 C ATOM 1437 CG PHE A 95 -18.462 -18.368 -17.799 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -19.833 -18.547 -17.885 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -17.643 -19.486 -17.781 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -20.378 -19.816 -17.952 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -18.182 -20.757 -17.847 1.00 0.00 C ATOM 1442 CZ PHE A 95 -19.551 -20.922 -17.932 1.00 0.00 C ATOM 0 H PHE A 95 -16.595 -14.904 -18.185 1.00 0.00 H new ATOM 0 HA PHE A 95 -17.847 -16.861 -19.873 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -16.817 -17.065 -17.472 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -18.357 -16.438 -16.920 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -20.484 -17.685 -17.900 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -16.572 -19.363 -17.715 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -21.448 -19.942 -18.020 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -17.533 -21.620 -17.832 1.00 0.00 H new ATOM 0 HZ PHE A 95 -19.974 -21.914 -17.983 1.00 0.00 H new