USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1001 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 56 ASN : amide:sc= 0.623 K(o=0.042,f=-2.3!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 166:sc= 0.00269 (180deg=0) USER MOD Set 1.3: A 106 GLN : amide:sc= -0.583 K(o=0.042,f=-2.3) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 42:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc=-0.00353 (180deg=-0.823) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0385) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -0.459 (180deg=-0.578) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.96 K(o=-0.96,f=0) USER MOD Single : A 27 GLN : amide:sc= -8.5! C(o=-8.5!,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 40:sc= 0.0655 USER MOD Single : A 35 THR OG1 : rot -120:sc= -0.449 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0.00345 (180deg=-0.0999) USER MOD Single : A 38 SER OG : rot -124:sc= 0.283 USER MOD Single : A 42 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-5.1!) USER MOD Single : A 44 TYR OH : rot 60:sc= -0.421 USER MOD Single : A 49 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -30:sc= 0.706 USER MOD Single : A 70 TYR OH : rot -48:sc= -0.132 USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= -0.18 (180deg=-1!) USER MOD Single : A 75 ASN : amide:sc=-0.00355 K(o=-0.0035,f=-0.87) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00942) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 85 SER OG : rot 180:sc= -0.013 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 171:sc= 1.02 USER MOD Single : A 98 TYR OH : rot -174:sc= 0.138 USER MOD Single : A 100 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.35) USER MOD Single : A 101 SER OG : rot -53:sc= 0.185 USER MOD Single : A 107 TYR OH : rot -130:sc= -0.238 USER MOD Single : A 111 MET CE :methyl -170:sc=-0.00745 (180deg=-0.241) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 113 HIS : no HD1:sc= -5.96! C(o=-5.3!,f=-21!) USER MOD Single : A 114 SER OG : rot 67:sc= 0.0317 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.697 K(o=-0.7,f=-1.9) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0047) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.733 11.919 3.295 1.00 0.00 N ATOM 2 CA ALA A 1 -14.993 11.947 2.023 1.00 0.00 C ATOM 3 C ALA A 1 -13.988 10.801 2.017 1.00 0.00 C ATOM 4 O ALA A 1 -13.182 10.754 2.930 1.00 0.00 O ATOM 5 CB ALA A 1 -14.317 13.308 1.809 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.423 12.697 3.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.232 11.011 3.386 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.067 12.029 4.086 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.683 11.813 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.777 13.301 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.075 14.091 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.618 13.499 2.623 1.00 0.00 H new ATOM 13 N PRO A 2 -14.070 9.876 1.044 1.00 0.00 N ATOM 14 CA PRO A 2 -13.123 8.769 0.890 1.00 0.00 C ATOM 15 C PRO A 2 -11.733 9.245 0.440 1.00 0.00 C ATOM 16 O PRO A 2 -10.757 8.519 0.531 1.00 0.00 O ATOM 17 CB PRO A 2 -13.752 7.863 -0.180 1.00 0.00 C ATOM 18 CG PRO A 2 -14.609 8.809 -1.019 1.00 0.00 C ATOM 19 CD PRO A 2 -15.068 9.859 -0.015 1.00 0.00 C ATOM 0 HA PRO A 2 -12.961 8.258 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.989 7.374 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.355 7.074 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.036 9.255 -1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.454 8.290 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.151 10.838 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.053 9.613 0.383 1.00 0.00 H new ATOM 27 N ILE A 3 -11.629 10.447 -0.117 1.00 0.00 N ATOM 28 CA ILE A 3 -10.347 11.015 -0.520 1.00 0.00 C ATOM 29 C ILE A 3 -9.524 11.400 0.705 1.00 0.00 C ATOM 30 O ILE A 3 -9.964 12.203 1.525 1.00 0.00 O ATOM 31 CB ILE A 3 -10.564 12.212 -1.457 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.224 12.626 -2.103 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.196 13.416 -0.744 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.896 11.795 -3.342 1.00 0.00 C ATOM 0 H ILE A 3 -12.428 11.053 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.784 10.261 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.265 11.892 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.265 13.680 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.422 12.517 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.326 14.232 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.166 13.130 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.545 13.741 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.945 12.124 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.826 10.743 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.683 11.924 -4.085 1.00 0.00 H new ATOM 46 N VAL A 4 -8.325 10.847 0.795 1.00 0.00 N ATOM 47 CA VAL A 4 -7.408 11.145 1.878 1.00 0.00 C ATOM 48 C VAL A 4 -6.010 11.481 1.371 1.00 0.00 C ATOM 49 O VAL A 4 -5.809 11.663 0.161 1.00 0.00 O ATOM 50 CB VAL A 4 -7.421 9.997 2.882 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.799 9.734 3.490 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.797 8.684 2.393 1.00 0.00 C ATOM 0 H VAL A 4 -7.962 10.178 0.116 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.745 12.045 2.392 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.763 10.370 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.734 8.905 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.143 10.627 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.504 9.482 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.858 7.936 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.337 8.330 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.752 8.852 2.133 1.00 0.00 H new ATOM 62 N THR A 5 -5.050 11.607 2.293 1.00 0.00 N ATOM 63 CA THR A 5 -3.651 11.823 1.960 1.00 0.00 C ATOM 64 C THR A 5 -2.682 11.256 2.988 1.00 0.00 C ATOM 65 O THR A 5 -2.723 11.627 4.151 1.00 0.00 O ATOM 66 CB THR A 5 -3.333 13.298 1.697 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.879 14.233 2.590 1.00 0.00 O ATOM 68 CG2 THR A 5 -3.825 13.734 0.320 1.00 0.00 C ATOM 0 H THR A 5 -5.230 11.561 3.296 1.00 0.00 H new ATOM 0 HA THR A 5 -3.502 11.265 1.035 1.00 0.00 H new ATOM 0 HB THR A 5 -2.249 13.311 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.796 13.897 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.584 14.786 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.338 13.132 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.904 13.596 0.259 1.00 0.00 H new ATOM 76 N CYS A 6 -1.712 10.441 2.553 1.00 0.00 N ATOM 77 CA CYS A 6 -0.732 9.870 3.477 1.00 0.00 C ATOM 78 C CYS A 6 0.028 10.997 4.193 1.00 0.00 C ATOM 79 O CYS A 6 0.030 12.137 3.714 1.00 0.00 O ATOM 80 CB CYS A 6 0.220 8.932 2.729 1.00 0.00 C ATOM 81 SG CYS A 6 -0.560 7.644 1.735 1.00 0.00 S ATOM 0 H CYS A 6 -1.588 10.167 1.578 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.248 9.279 4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.853 9.533 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.875 8.455 3.458 1.00 0.00 H new ATOM 86 N ARG A 7 0.753 10.670 5.266 1.00 0.00 N ATOM 87 CA ARG A 7 1.648 11.592 5.979 1.00 0.00 C ATOM 88 C ARG A 7 3.126 11.184 5.818 1.00 0.00 C ATOM 89 O ARG A 7 3.816 10.969 6.805 1.00 0.00 O ATOM 90 CB ARG A 7 1.210 11.643 7.449 1.00 0.00 C ATOM 91 CG ARG A 7 0.060 12.620 7.678 1.00 0.00 C ATOM 92 CD ARG A 7 -1.308 11.985 7.393 1.00 0.00 C ATOM 93 NE ARG A 7 -2.369 12.677 8.141 1.00 0.00 N ATOM 94 CZ ARG A 7 -2.541 12.620 9.451 1.00 0.00 C ATOM 95 NH1 ARG A 7 -1.730 11.938 10.215 1.00 0.00 N ATOM 96 NH2 ARG A 7 -3.505 13.273 10.024 1.00 0.00 N ATOM 0 H ARG A 7 0.735 9.736 5.674 1.00 0.00 H new ATOM 0 HA ARG A 7 1.573 12.591 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.906 10.647 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.059 11.933 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.086 12.974 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.194 13.492 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.520 12.031 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.290 10.931 7.669 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.025 13.247 7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.944 11.435 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.883 11.909 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.142 13.839 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.626 13.220 11.035 1.00 0.00 H new ATOM 110 N PRO A 8 3.646 11.071 4.585 1.00 0.00 N ATOM 111 CA PRO A 8 5.030 10.723 4.334 1.00 0.00 C ATOM 112 C PRO A 8 5.929 11.921 4.529 1.00 0.00 C ATOM 113 O PRO A 8 5.513 13.081 4.423 1.00 0.00 O ATOM 114 CB PRO A 8 5.087 10.248 2.886 1.00 0.00 C ATOM 115 CG PRO A 8 3.936 10.990 2.243 1.00 0.00 C ATOM 116 CD PRO A 8 2.919 11.040 3.351 1.00 0.00 C ATOM 0 HA PRO A 8 5.374 9.953 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.039 10.495 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.964 9.168 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.229 11.988 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.555 10.466 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.286 11.922 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.263 10.171 3.312 1.00 0.00 H new ATOM 124 N LYS A 9 7.229 11.635 4.632 1.00 0.00 N ATOM 125 CA LYS A 9 8.243 12.662 4.827 1.00 0.00 C ATOM 126 C LYS A 9 9.059 12.819 3.559 1.00 0.00 C ATOM 127 O LYS A 9 9.616 11.841 3.048 1.00 0.00 O ATOM 128 CB LYS A 9 9.109 12.310 6.033 1.00 0.00 C ATOM 129 CG LYS A 9 9.652 13.553 6.738 1.00 0.00 C ATOM 130 CD LYS A 9 10.687 13.153 7.802 1.00 0.00 C ATOM 131 CE LYS A 9 10.003 12.689 9.095 1.00 0.00 C ATOM 132 NZ LYS A 9 9.738 11.229 9.109 1.00 0.00 N ATOM 0 H LYS A 9 7.603 10.687 4.582 1.00 0.00 H new ATOM 0 HA LYS A 9 7.771 13.622 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.523 11.721 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.942 11.685 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.109 14.222 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.834 14.101 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.320 12.354 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.338 14.000 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.631 12.949 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.062 13.226 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.751 11.058 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.902 10.837 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.375 10.767 9.789 1.00 0.00 H new ATOM 146 N LEU A 10 9.116 14.057 3.074 1.00 0.00 N ATOM 147 CA LEU A 10 9.917 14.394 1.908 1.00 0.00 C ATOM 148 C LEU A 10 11.357 14.679 2.353 1.00 0.00 C ATOM 149 O LEU A 10 12.220 13.804 2.300 1.00 0.00 O ATOM 150 CB LEU A 10 9.245 15.551 1.130 1.00 0.00 C ATOM 151 CG LEU A 10 9.763 15.753 -0.313 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.210 15.313 -0.526 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.816 15.070 -1.303 1.00 0.00 C ATOM 0 H LEU A 10 8.611 14.847 3.477 1.00 0.00 H new ATOM 0 HA LEU A 10 9.972 13.560 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.171 15.369 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.392 16.477 1.686 1.00 0.00 H new ATOM 0 HG LEU A 10 9.771 16.828 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.495 15.488 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.865 15.885 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.305 14.251 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.185 15.215 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.767 14.003 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.820 15.505 -1.213 1.00 0.00 H new ATOM 165 N ASP A 11 11.578 15.896 2.854 1.00 0.00 N ATOM 166 CA ASP A 11 12.893 16.444 3.213 1.00 0.00 C ATOM 167 C ASP A 11 12.898 16.988 4.648 1.00 0.00 C ATOM 168 O ASP A 11 13.434 18.043 4.964 1.00 0.00 O ATOM 169 CB ASP A 11 13.345 17.511 2.201 1.00 0.00 C ATOM 170 CG ASP A 11 14.871 17.546 2.106 1.00 0.00 C ATOM 171 OD1 ASP A 11 15.472 16.447 2.072 1.00 0.00 O ATOM 172 OD2 ASP A 11 15.402 18.675 2.077 1.00 0.00 O ATOM 0 H ASP A 11 10.819 16.554 3.028 1.00 0.00 H new ATOM 0 HA ASP A 11 13.615 15.629 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.919 17.295 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.971 18.489 2.503 1.00 0.00 H new ATOM 177 N GLY A 12 12.147 16.322 5.524 1.00 0.00 N ATOM 178 CA GLY A 12 11.999 16.727 6.923 1.00 0.00 C ATOM 179 C GLY A 12 10.579 17.133 7.293 1.00 0.00 C ATOM 180 O GLY A 12 10.183 16.946 8.437 1.00 0.00 O ATOM 0 H GLY A 12 11.621 15.482 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.312 15.904 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.671 17.562 7.124 1.00 0.00 H new ATOM 184 N ARG A 13 9.799 17.633 6.327 1.00 0.00 N ATOM 185 CA ARG A 13 8.395 18.019 6.527 1.00 0.00 C ATOM 186 C ARG A 13 7.454 16.944 5.992 1.00 0.00 C ATOM 187 O ARG A 13 7.723 16.346 4.946 1.00 0.00 O ATOM 188 CB ARG A 13 8.146 19.401 5.908 1.00 0.00 C ATOM 189 CG ARG A 13 7.950 19.339 4.383 1.00 0.00 C ATOM 190 CD ARG A 13 8.246 20.677 3.718 1.00 0.00 C ATOM 191 NE ARG A 13 9.683 21.020 3.794 1.00 0.00 N ATOM 192 CZ ARG A 13 10.364 21.737 2.920 1.00 0.00 C ATOM 193 NH1 ARG A 13 9.787 22.212 1.854 1.00 0.00 N ATOM 194 NH2 ARG A 13 11.628 21.990 3.103 1.00 0.00 N ATOM 0 H ARG A 13 10.128 17.783 5.373 1.00 0.00 H new ATOM 0 HA ARG A 13 8.184 18.099 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.263 19.847 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.988 20.054 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.602 18.573 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.925 19.042 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.935 20.641 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.659 21.460 4.198 1.00 0.00 H new ATOM 0 HE ARG A 13 10.198 20.668 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.797 22.031 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.325 22.765 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.105 21.633 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.141 22.546 2.419 1.00 0.00 H new ATOM 208 N GLU A 14 6.354 16.735 6.703 1.00 0.00 N ATOM 209 CA GLU A 14 5.321 15.782 6.301 1.00 0.00 C ATOM 210 C GLU A 14 4.476 16.395 5.186 1.00 0.00 C ATOM 211 O GLU A 14 3.967 17.510 5.330 1.00 0.00 O ATOM 212 CB GLU A 14 4.438 15.404 7.493 1.00 0.00 C ATOM 213 CG GLU A 14 5.228 14.619 8.550 1.00 0.00 C ATOM 214 CD GLU A 14 5.256 13.106 8.350 1.00 0.00 C ATOM 215 OE1 GLU A 14 6.120 12.679 7.542 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.569 12.426 9.143 1.00 0.00 O ATOM 0 H GLU A 14 6.150 17.221 7.576 1.00 0.00 H new ATOM 0 HA GLU A 14 5.798 14.873 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.025 16.307 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.595 14.805 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.254 14.987 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.803 14.832 9.531 1.00 0.00 H new ATOM 223 N LYS A 15 4.363 15.697 4.053 1.00 0.00 N ATOM 224 CA LYS A 15 3.575 16.163 2.907 1.00 0.00 C ATOM 225 C LYS A 15 2.416 15.218 2.610 1.00 0.00 C ATOM 226 O LYS A 15 2.649 14.023 2.526 1.00 0.00 O ATOM 227 CB LYS A 15 4.480 16.314 1.680 1.00 0.00 C ATOM 228 CG LYS A 15 3.920 17.356 0.699 1.00 0.00 C ATOM 229 CD LYS A 15 4.970 17.791 -0.327 1.00 0.00 C ATOM 230 CE LYS A 15 4.936 16.892 -1.565 1.00 0.00 C ATOM 231 NZ LYS A 15 3.785 17.228 -2.439 1.00 0.00 N ATOM 0 H LYS A 15 4.814 14.794 3.903 1.00 0.00 H new ATOM 0 HA LYS A 15 3.149 17.135 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.480 16.610 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.577 15.352 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.056 16.940 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.571 18.227 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.790 18.825 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.961 17.755 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.865 17.003 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.871 15.848 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.888 16.739 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.902 16.925 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.758 18.255 -2.598 1.00 0.00 H new ATOM 245 N PRO A 16 1.209 15.733 2.327 1.00 0.00 N ATOM 246 CA PRO A 16 0.038 14.929 2.017 1.00 0.00 C ATOM 247 C PRO A 16 0.210 14.169 0.702 1.00 0.00 C ATOM 248 O PRO A 16 0.333 14.776 -0.370 1.00 0.00 O ATOM 249 CB PRO A 16 -1.130 15.908 1.970 1.00 0.00 C ATOM 250 CG PRO A 16 -0.484 17.235 1.609 1.00 0.00 C ATOM 251 CD PRO A 16 0.879 17.143 2.270 1.00 0.00 C ATOM 0 HA PRO A 16 -0.130 14.157 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.871 15.610 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.644 15.962 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.401 17.363 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.060 18.080 1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.626 17.694 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.857 17.578 3.269 1.00 0.00 H new ATOM 259 N PHE A 17 0.220 12.837 0.763 1.00 0.00 N ATOM 260 CA PHE A 17 0.341 12.033 -0.445 1.00 0.00 C ATOM 261 C PHE A 17 -1.031 11.712 -1.006 1.00 0.00 C ATOM 262 O PHE A 17 -1.775 10.999 -0.364 1.00 0.00 O ATOM 263 CB PHE A 17 1.110 10.742 -0.179 1.00 0.00 C ATOM 264 CG PHE A 17 2.048 10.327 -1.291 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.812 10.721 -2.624 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.130 9.470 -1.010 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.680 10.327 -3.649 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.994 9.066 -2.036 1.00 0.00 C ATOM 269 CZ PHE A 17 3.779 9.506 -3.352 1.00 0.00 C ATOM 0 H PHE A 17 0.146 12.300 1.627 1.00 0.00 H new ATOM 0 HA PHE A 17 0.900 12.617 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.686 10.860 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.395 9.938 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.953 11.333 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.294 9.123 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.505 10.653 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.827 8.415 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.460 9.212 -4.137 1.00 0.00 H new ATOM 279 N LYS A 18 -1.385 12.218 -2.190 1.00 0.00 N ATOM 280 CA LYS A 18 -2.666 11.943 -2.871 1.00 0.00 C ATOM 281 C LYS A 18 -3.045 10.467 -2.842 1.00 0.00 C ATOM 282 O LYS A 18 -2.399 9.696 -3.536 1.00 0.00 O ATOM 283 CB LYS A 18 -2.610 12.418 -4.328 1.00 0.00 C ATOM 284 CG LYS A 18 -2.321 13.916 -4.452 1.00 0.00 C ATOM 285 CD LYS A 18 -3.476 14.791 -3.931 1.00 0.00 C ATOM 286 CE LYS A 18 -4.477 15.098 -5.050 1.00 0.00 C ATOM 287 NZ LYS A 18 -5.591 14.118 -5.094 1.00 0.00 N ATOM 0 H LYS A 18 -0.779 12.845 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.430 12.494 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.839 11.859 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.559 12.194 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.413 14.153 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.130 14.159 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.984 14.280 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.079 15.722 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.883 16.100 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.958 15.098 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.807 13.882 -6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.314 13.255 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.434 14.530 -4.645 1.00 0.00 H new ATOM 301 N VAL A 19 -4.104 10.111 -2.115 1.00 0.00 N ATOM 302 CA VAL A 19 -4.568 8.727 -1.964 1.00 0.00 C ATOM 303 C VAL A 19 -6.072 8.688 -1.734 1.00 0.00 C ATOM 304 O VAL A 19 -6.616 9.203 -0.772 1.00 0.00 O ATOM 305 CB VAL A 19 -3.843 7.982 -0.825 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.405 7.667 -1.218 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.812 8.742 0.495 1.00 0.00 C ATOM 0 H VAL A 19 -4.675 10.785 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.329 8.213 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.423 7.072 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.911 7.141 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.401 7.039 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.873 8.595 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.285 8.150 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.297 9.693 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.832 8.928 0.832 1.00 0.00 H new ATOM 317 N ASP A 20 -6.817 8.127 -2.659 1.00 0.00 N ATOM 318 CA ASP A 20 -8.256 7.976 -2.537 1.00 0.00 C ATOM 319 C ASP A 20 -8.622 6.588 -2.013 1.00 0.00 C ATOM 320 O ASP A 20 -8.140 5.566 -2.483 1.00 0.00 O ATOM 321 CB ASP A 20 -8.913 8.284 -3.879 1.00 0.00 C ATOM 322 CG ASP A 20 -8.419 7.445 -5.039 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.183 7.407 -5.248 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.312 6.908 -5.728 1.00 0.00 O ATOM 0 H ASP A 20 -6.439 7.756 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.635 8.688 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.989 8.144 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.749 9.336 -4.114 1.00 0.00 H new ATOM 329 N VAL A 21 -9.515 6.536 -1.022 1.00 0.00 N ATOM 330 CA VAL A 21 -9.992 5.249 -0.497 1.00 0.00 C ATOM 331 C VAL A 21 -10.595 4.374 -1.588 1.00 0.00 C ATOM 332 O VAL A 21 -10.405 3.161 -1.587 1.00 0.00 O ATOM 333 CB VAL A 21 -10.985 5.417 0.643 1.00 0.00 C ATOM 334 CG1 VAL A 21 -11.999 4.276 0.761 1.00 0.00 C ATOM 335 CG2 VAL A 21 -10.282 5.640 1.977 1.00 0.00 C ATOM 0 H VAL A 21 -9.919 7.356 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.109 4.747 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.554 6.311 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.671 4.471 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.577 4.206 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.472 3.337 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.026 5.755 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.646 4.784 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.671 6.541 1.920 1.00 0.00 H new ATOM 345 N ALA A 22 -11.379 4.987 -2.479 1.00 0.00 N ATOM 346 CA ALA A 22 -12.057 4.295 -3.566 1.00 0.00 C ATOM 347 C ALA A 22 -11.088 3.371 -4.300 1.00 0.00 C ATOM 348 O ALA A 22 -11.270 2.152 -4.263 1.00 0.00 O ATOM 349 CB ALA A 22 -12.687 5.314 -4.524 1.00 0.00 C ATOM 0 H ALA A 22 -11.560 5.991 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.854 3.677 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.192 4.788 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.409 5.925 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.908 5.955 -4.938 1.00 0.00 H new ATOM 355 N THR A 23 -10.040 3.951 -4.902 1.00 0.00 N ATOM 356 CA THR A 23 -9.009 3.179 -5.590 1.00 0.00 C ATOM 357 C THR A 23 -8.372 2.181 -4.644 1.00 0.00 C ATOM 358 O THR A 23 -8.161 1.055 -5.059 1.00 0.00 O ATOM 359 CB THR A 23 -7.930 4.060 -6.239 1.00 0.00 C ATOM 360 OG1 THR A 23 -7.382 3.417 -7.361 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.734 4.368 -5.337 1.00 0.00 C ATOM 0 H THR A 23 -9.888 4.959 -4.923 1.00 0.00 H new ATOM 0 HA THR A 23 -9.509 2.646 -6.399 1.00 0.00 H new ATOM 0 HB THR A 23 -8.454 4.986 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.698 3.990 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.023 4.994 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.076 4.893 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.249 3.437 -5.046 1.00 0.00 H new ATOM 369 N ALA A 24 -8.113 2.551 -3.381 1.00 0.00 N ATOM 370 CA ALA A 24 -7.446 1.713 -2.393 1.00 0.00 C ATOM 371 C ALA A 24 -8.182 0.380 -2.218 1.00 0.00 C ATOM 372 O ALA A 24 -7.624 -0.702 -2.377 1.00 0.00 O ATOM 373 CB ALA A 24 -7.337 2.454 -1.056 1.00 0.00 C ATOM 0 H ALA A 24 -8.372 3.468 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.440 1.494 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.837 1.817 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.762 3.369 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.335 2.703 -0.696 1.00 0.00 H new ATOM 379 N GLN A 25 -9.472 0.439 -1.920 1.00 0.00 N ATOM 380 CA GLN A 25 -10.275 -0.769 -1.821 1.00 0.00 C ATOM 381 C GLN A 25 -10.426 -1.479 -3.171 1.00 0.00 C ATOM 382 O GLN A 25 -10.480 -2.712 -3.213 1.00 0.00 O ATOM 383 CB GLN A 25 -11.633 -0.398 -1.242 1.00 0.00 C ATOM 384 CG GLN A 25 -12.437 -1.660 -0.906 1.00 0.00 C ATOM 385 CD GLN A 25 -13.524 -1.361 0.109 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.684 -1.207 -0.221 1.00 0.00 O ATOM 387 NE2 GLN A 25 -13.184 -1.282 1.378 1.00 0.00 N ATOM 0 H GLN A 25 -9.981 1.305 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.768 -1.476 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.499 0.205 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.185 0.212 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.885 -2.062 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.769 -2.427 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.211 -1.411 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.894 -1.092 2.085 1.00 0.00 H new ATOM 396 N ALA A 26 -10.450 -0.716 -4.269 1.00 0.00 N ATOM 397 CA ALA A 26 -10.541 -1.265 -5.612 1.00 0.00 C ATOM 398 C ALA A 26 -9.317 -2.117 -5.938 1.00 0.00 C ATOM 399 O ALA A 26 -9.485 -3.254 -6.361 1.00 0.00 O ATOM 400 CB ALA A 26 -10.745 -0.150 -6.648 1.00 0.00 C ATOM 0 H ALA A 26 -10.406 0.303 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.414 -1.916 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.810 -0.587 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.667 0.388 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.903 0.541 -6.609 1.00 0.00 H new ATOM 406 N GLN A 27 -8.105 -1.622 -5.694 1.00 0.00 N ATOM 407 CA GLN A 27 -6.872 -2.349 -5.971 1.00 0.00 C ATOM 408 C GLN A 27 -6.723 -3.578 -5.081 1.00 0.00 C ATOM 409 O GLN A 27 -6.338 -4.643 -5.555 1.00 0.00 O ATOM 410 CB GLN A 27 -5.683 -1.408 -5.837 1.00 0.00 C ATOM 411 CG GLN A 27 -5.525 -0.762 -4.455 1.00 0.00 C ATOM 412 CD GLN A 27 -4.130 -0.396 -4.047 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.177 -1.113 -4.234 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.956 0.701 -3.358 1.00 0.00 N ATOM 0 H GLN A 27 -7.952 -0.696 -5.295 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.911 -2.719 -6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.773 -1.960 -6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.777 -0.619 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.137 0.140 -4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.931 -1.446 -3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.744 1.325 -3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.032 0.933 -2.993 1.00 0.00 H new ATOM 423 N ALA A 28 -7.132 -3.467 -3.813 1.00 0.00 N ATOM 424 CA ALA A 28 -7.021 -4.539 -2.843 1.00 0.00 C ATOM 425 C ALA A 28 -7.952 -5.686 -3.204 1.00 0.00 C ATOM 426 O ALA A 28 -7.537 -6.840 -3.294 1.00 0.00 O ATOM 427 CB ALA A 28 -7.371 -4.000 -1.465 1.00 0.00 C ATOM 0 H ALA A 28 -7.553 -2.618 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.999 -4.917 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.290 -4.801 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.683 -3.196 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.391 -3.617 -1.473 1.00 0.00 H new ATOM 433 N ARG A 29 -9.230 -5.365 -3.443 1.00 0.00 N ATOM 434 CA ARG A 29 -10.214 -6.349 -3.880 1.00 0.00 C ATOM 435 C ARG A 29 -9.861 -6.924 -5.243 1.00 0.00 C ATOM 436 O ARG A 29 -10.020 -8.124 -5.439 1.00 0.00 O ATOM 437 CB ARG A 29 -11.606 -5.710 -3.889 1.00 0.00 C ATOM 438 CG ARG A 29 -12.713 -6.720 -4.242 1.00 0.00 C ATOM 439 CD ARG A 29 -13.141 -7.489 -2.994 1.00 0.00 C ATOM 440 NE ARG A 29 -14.313 -8.339 -3.262 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.299 -8.590 -2.420 1.00 0.00 C ATOM 442 NH1 ARG A 29 -15.305 -8.083 -1.219 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.291 -9.356 -2.770 1.00 0.00 N ATOM 0 H ARG A 29 -9.604 -4.422 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.212 -7.182 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.811 -5.278 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.622 -4.891 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.570 -6.198 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.353 -7.415 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.314 -8.107 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.375 -6.786 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.369 -8.774 -4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.539 -7.481 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.075 -8.288 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.312 -9.769 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.047 -9.543 -2.112 1.00 0.00 H new ATOM 457 N LYS A 30 -9.392 -6.086 -6.174 1.00 0.00 N ATOM 458 CA LYS A 30 -9.012 -6.503 -7.529 1.00 0.00 C ATOM 459 C LYS A 30 -7.875 -7.517 -7.503 1.00 0.00 C ATOM 460 O LYS A 30 -7.967 -8.533 -8.189 1.00 0.00 O ATOM 461 CB LYS A 30 -8.605 -5.285 -8.374 1.00 0.00 C ATOM 462 CG LYS A 30 -8.392 -5.629 -9.855 1.00 0.00 C ATOM 463 CD LYS A 30 -9.726 -5.562 -10.616 1.00 0.00 C ATOM 464 CE LYS A 30 -10.019 -4.115 -11.043 1.00 0.00 C ATOM 465 NZ LYS A 30 -11.461 -3.900 -11.313 1.00 0.00 N ATOM 0 H LYS A 30 -9.264 -5.088 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.882 -6.979 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.375 -4.518 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.687 -4.859 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.678 -4.934 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.964 -6.627 -9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.686 -6.207 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.533 -5.933 -9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.690 -3.432 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.443 -3.876 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.617 -2.912 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.769 -4.534 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.009 -4.103 -10.453 1.00 0.00 H new ATOM 479 N ALA A 31 -6.801 -7.207 -6.778 1.00 0.00 N ATOM 480 CA ALA A 31 -5.669 -8.109 -6.625 1.00 0.00 C ATOM 481 C ALA A 31 -6.031 -9.354 -5.811 1.00 0.00 C ATOM 482 O ALA A 31 -5.487 -10.427 -6.083 1.00 0.00 O ATOM 483 CB ALA A 31 -4.510 -7.346 -5.984 1.00 0.00 C ATOM 0 H ALA A 31 -6.695 -6.322 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.371 -8.465 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.657 -8.013 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.229 -6.508 -6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.817 -6.972 -5.007 1.00 0.00 H new ATOM 489 N GLY A 32 -6.964 -9.214 -4.862 1.00 0.00 N ATOM 490 CA GLY A 32 -7.387 -10.286 -3.976 1.00 0.00 C ATOM 491 C GLY A 32 -6.238 -10.791 -3.110 1.00 0.00 C ATOM 492 O GLY A 32 -5.192 -10.162 -2.991 1.00 0.00 O ATOM 0 H GLY A 32 -7.450 -8.334 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.196 -9.932 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.786 -11.110 -4.567 1.00 0.00 H new ATOM 496 N LEU A 33 -6.444 -11.926 -2.456 1.00 0.00 N ATOM 497 CA LEU A 33 -5.454 -12.549 -1.568 1.00 0.00 C ATOM 498 C LEU A 33 -4.737 -13.718 -2.262 1.00 0.00 C ATOM 499 O LEU A 33 -4.509 -14.777 -1.678 1.00 0.00 O ATOM 500 CB LEU A 33 -6.096 -13.013 -0.261 1.00 0.00 C ATOM 501 CG LEU A 33 -7.256 -12.172 0.258 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.100 -13.037 1.159 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.811 -10.883 0.930 1.00 0.00 C ATOM 0 H LEU A 33 -7.315 -12.453 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.709 -11.790 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.449 -14.035 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.324 -13.042 0.508 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.854 -11.836 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.938 -12.454 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.479 -13.889 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.495 -13.394 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.686 -10.332 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.170 -11.118 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.257 -10.273 0.216 1.00 0.00 H new ATOM 515 N THR A 34 -4.444 -13.542 -3.549 1.00 0.00 N ATOM 516 CA THR A 34 -3.860 -14.587 -4.384 1.00 0.00 C ATOM 517 C THR A 34 -2.821 -14.030 -5.335 1.00 0.00 C ATOM 518 O THR A 34 -3.095 -13.222 -6.225 1.00 0.00 O ATOM 519 CB THR A 34 -4.911 -15.373 -5.180 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.782 -14.542 -5.914 1.00 0.00 O ATOM 521 CG2 THR A 34 -5.745 -16.272 -4.269 1.00 0.00 C ATOM 0 H THR A 34 -4.606 -12.665 -4.044 1.00 0.00 H new ATOM 0 HA THR A 34 -3.379 -15.277 -3.691 1.00 0.00 H new ATOM 0 HB THR A 34 -4.343 -15.981 -5.884 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.276 -13.797 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.479 -16.814 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.092 -16.983 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.260 -15.661 -3.527 1.00 0.00 H new ATOM 529 N THR A 35 -1.589 -14.502 -5.187 1.00 0.00 N ATOM 530 CA THR A 35 -0.486 -14.119 -6.064 1.00 0.00 C ATOM 531 C THR A 35 0.334 -15.312 -6.519 1.00 0.00 C ATOM 532 O THR A 35 0.332 -16.348 -5.861 1.00 0.00 O ATOM 533 CB THR A 35 0.426 -13.123 -5.375 1.00 0.00 C ATOM 534 OG1 THR A 35 1.223 -12.633 -6.429 1.00 0.00 O ATOM 535 CG2 THR A 35 1.301 -13.771 -4.288 1.00 0.00 C ATOM 0 H THR A 35 -1.325 -15.162 -4.455 1.00 0.00 H new ATOM 0 HA THR A 35 -0.937 -13.662 -6.945 1.00 0.00 H new ATOM 0 HB THR A 35 -0.137 -12.351 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.166 -12.825 -6.243 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.933 -13.011 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.663 -14.220 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.928 -14.542 -4.737 1.00 0.00 H new ATOM 543 N GLY A 36 1.036 -15.148 -7.640 1.00 0.00 N ATOM 544 CA GLY A 36 1.965 -16.165 -8.109 1.00 0.00 C ATOM 545 C GLY A 36 2.332 -16.004 -9.568 1.00 0.00 C ATOM 546 O GLY A 36 3.468 -16.274 -9.923 1.00 0.00 O ATOM 0 H GLY A 36 0.977 -14.322 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.872 -16.126 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.523 -17.150 -7.958 1.00 0.00 H new ATOM 550 N LYS A 37 1.391 -15.491 -10.376 1.00 0.00 N ATOM 551 CA LYS A 37 1.597 -15.176 -11.792 1.00 0.00 C ATOM 552 C LYS A 37 2.930 -14.442 -12.017 1.00 0.00 C ATOM 553 O LYS A 37 3.753 -14.890 -12.802 1.00 0.00 O ATOM 554 CB LYS A 37 0.369 -14.454 -12.381 1.00 0.00 C ATOM 555 CG LYS A 37 -0.014 -13.129 -11.688 1.00 0.00 C ATOM 556 CD LYS A 37 -0.894 -13.339 -10.453 1.00 0.00 C ATOM 557 CE LYS A 37 -1.740 -12.097 -10.191 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.646 -12.302 -9.029 1.00 0.00 N ATOM 0 H LYS A 37 0.447 -15.280 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 37 1.687 -16.108 -12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.558 -14.252 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.485 -15.129 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.894 -12.601 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.539 -12.491 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.541 -14.204 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.270 -13.553 -9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.089 -11.243 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.328 -11.860 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.357 -11.543 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.124 -13.221 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.092 -12.285 -8.149 1.00 0.00 H new ATOM 572 N SER A 38 3.177 -13.416 -11.193 1.00 0.00 N ATOM 573 CA SER A 38 4.337 -12.538 -11.269 1.00 0.00 C ATOM 574 C SER A 38 5.003 -12.366 -9.906 1.00 0.00 C ATOM 575 O SER A 38 6.149 -12.753 -9.699 1.00 0.00 O ATOM 576 CB SER A 38 3.917 -11.189 -11.865 1.00 0.00 C ATOM 577 OG SER A 38 3.005 -10.486 -11.019 1.00 0.00 O ATOM 0 H SER A 38 2.547 -13.171 -10.429 1.00 0.00 H new ATOM 0 HA SER A 38 5.081 -12.995 -11.922 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.803 -10.576 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.455 -11.352 -12.839 1.00 0.00 H new ATOM 0 HG SER A 38 2.191 -10.272 -11.521 1.00 0.00 H new ATOM 583 N GLY A 39 4.290 -11.753 -8.968 1.00 0.00 N ATOM 584 CA GLY A 39 4.790 -11.460 -7.637 1.00 0.00 C ATOM 585 C GLY A 39 3.785 -10.736 -6.763 1.00 0.00 C ATOM 586 O GLY A 39 3.907 -10.817 -5.547 1.00 0.00 O ATOM 0 H GLY A 39 3.330 -11.441 -9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.078 -12.393 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.691 -10.853 -7.721 1.00 0.00 H new ATOM 590 N ASP A 40 2.841 -10.013 -7.381 1.00 0.00 N ATOM 591 CA ASP A 40 1.849 -9.209 -6.685 1.00 0.00 C ATOM 592 C ASP A 40 0.437 -9.829 -6.805 1.00 0.00 C ATOM 593 O ASP A 40 0.091 -10.475 -7.811 1.00 0.00 O ATOM 594 CB ASP A 40 1.849 -7.731 -7.124 1.00 0.00 C ATOM 595 CG ASP A 40 3.225 -7.108 -7.423 1.00 0.00 C ATOM 596 OD1 ASP A 40 4.012 -7.658 -8.218 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.563 -6.077 -6.801 1.00 0.00 O ATOM 0 H ASP A 40 2.751 -9.975 -8.396 1.00 0.00 H new ATOM 0 HA ASP A 40 2.137 -9.215 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.231 -7.639 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.369 -7.142 -6.342 1.00 0.00 H new ATOM 602 N PRO A 41 -0.409 -9.680 -5.771 1.00 0.00 N ATOM 603 CA PRO A 41 -0.110 -9.061 -4.473 1.00 0.00 C ATOM 604 C PRO A 41 0.912 -9.815 -3.637 1.00 0.00 C ATOM 605 O PRO A 41 1.442 -10.814 -4.069 1.00 0.00 O ATOM 606 CB PRO A 41 -1.450 -8.993 -3.750 1.00 0.00 C ATOM 607 CG PRO A 41 -2.222 -10.171 -4.333 1.00 0.00 C ATOM 608 CD PRO A 41 -1.738 -10.258 -5.771 1.00 0.00 C ATOM 0 HA PRO A 41 0.349 -8.085 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.330 -9.085 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.959 -8.047 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.016 -11.092 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.298 -10.005 -4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.716 -11.292 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.402 -9.713 -6.442 1.00 0.00 H new ATOM 616 N HIS A 42 1.247 -9.335 -2.451 1.00 0.00 N ATOM 617 CA HIS A 42 2.244 -9.995 -1.598 1.00 0.00 C ATOM 618 C HIS A 42 1.651 -10.217 -0.224 1.00 0.00 C ATOM 619 O HIS A 42 0.794 -9.455 0.208 1.00 0.00 O ATOM 620 CB HIS A 42 3.542 -9.181 -1.513 1.00 0.00 C ATOM 621 CG HIS A 42 3.801 -8.279 -2.687 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.219 -7.040 -2.853 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.575 -8.553 -3.775 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.661 -6.555 -4.021 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.479 -7.451 -4.601 1.00 0.00 N ATOM 0 H HIS A 42 0.846 -8.488 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 42 2.504 -10.957 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.515 -8.576 -0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.380 -9.870 -1.411 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.148 -9.451 -3.955 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.400 -5.592 -4.434 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.949 -7.336 -5.499 1.00 0.00 H new ATOM 634 N ARG A 43 2.106 -11.253 0.474 1.00 0.00 N ATOM 635 CA ARG A 43 1.658 -11.553 1.835 1.00 0.00 C ATOM 636 C ARG A 43 2.341 -10.621 2.824 1.00 0.00 C ATOM 637 O ARG A 43 3.561 -10.630 2.916 1.00 0.00 O ATOM 638 CB ARG A 43 2.001 -13.005 2.160 1.00 0.00 C ATOM 639 CG ARG A 43 0.915 -13.955 1.637 1.00 0.00 C ATOM 640 CD ARG A 43 -0.241 -14.106 2.633 1.00 0.00 C ATOM 641 NE ARG A 43 0.250 -14.582 3.932 1.00 0.00 N ATOM 642 CZ ARG A 43 0.597 -15.811 4.249 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.520 -16.776 3.378 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.014 -16.085 5.450 1.00 0.00 N ATOM 0 H ARG A 43 2.797 -11.911 0.114 1.00 0.00 H new ATOM 0 HA ARG A 43 0.580 -11.406 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.962 -13.264 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.106 -13.125 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.530 -13.580 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.353 -14.933 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.746 -13.148 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.978 -14.806 2.239 1.00 0.00 H new ATOM 0 HE ARG A 43 0.331 -13.883 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.187 -16.585 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.793 -17.723 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.073 -15.346 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.282 -17.039 5.692 1.00 0.00 H new ATOM 658 N TYR A 44 1.548 -9.873 3.573 1.00 0.00 N ATOM 659 CA TYR A 44 2.044 -9.013 4.634 1.00 0.00 C ATOM 660 C TYR A 44 2.063 -9.804 5.941 1.00 0.00 C ATOM 661 O TYR A 44 1.079 -10.448 6.327 1.00 0.00 O ATOM 662 CB TYR A 44 1.172 -7.761 4.718 1.00 0.00 C ATOM 663 CG TYR A 44 1.561 -6.766 5.787 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.507 -7.100 7.159 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.996 -5.492 5.397 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.915 -6.185 8.131 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.398 -4.558 6.373 1.00 0.00 C ATOM 668 CZ TYR A 44 2.341 -4.913 7.738 1.00 0.00 C ATOM 669 OH TYR A 44 2.651 -4.054 8.731 1.00 0.00 O ATOM 0 H TYR A 44 0.535 -9.845 3.461 1.00 0.00 H new ATOM 0 HA TYR A 44 3.063 -8.684 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.196 -7.257 3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.141 -8.069 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.146 -8.073 7.459 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.023 -5.226 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.902 -6.457 9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.747 -3.579 6.079 1.00 0.00 H new ATOM 0 HH TYR A 44 3.378 -4.427 9.271 1.00 0.00 H new ATOM 679 N PHE A 45 3.169 -9.711 6.665 1.00 0.00 N ATOM 680 CA PHE A 45 3.330 -10.271 7.997 1.00 0.00 C ATOM 681 C PHE A 45 3.843 -9.191 8.945 1.00 0.00 C ATOM 682 O PHE A 45 4.712 -8.417 8.554 1.00 0.00 O ATOM 683 CB PHE A 45 4.299 -11.449 7.890 1.00 0.00 C ATOM 684 CG PHE A 45 4.539 -12.146 9.208 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.459 -11.614 10.132 1.00 0.00 C ATOM 686 CD2 PHE A 45 3.817 -13.310 9.527 1.00 0.00 C ATOM 687 CE1 PHE A 45 5.653 -12.241 11.372 1.00 0.00 C ATOM 688 CE2 PHE A 45 4.028 -13.950 10.758 1.00 0.00 C ATOM 689 CZ PHE A 45 4.942 -13.415 11.682 1.00 0.00 C ATOM 0 H PHE A 45 4.004 -9.229 6.331 1.00 0.00 H new ATOM 0 HA PHE A 45 2.382 -10.627 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.907 -12.169 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.251 -11.093 7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.016 -10.722 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.101 -13.711 8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.346 -11.824 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.488 -14.854 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.099 -13.906 12.631 1.00 0.00 H new ATOM 699 N ALA A 46 3.319 -9.152 10.179 1.00 0.00 N ATOM 700 CA ALA A 46 3.755 -8.262 11.259 1.00 0.00 C ATOM 701 C ALA A 46 5.264 -7.979 11.239 1.00 0.00 C ATOM 702 O ALA A 46 6.082 -8.763 11.720 1.00 0.00 O ATOM 703 CB ALA A 46 3.370 -8.843 12.619 1.00 0.00 C ATOM 0 H ALA A 46 2.552 -9.763 10.460 1.00 0.00 H new ATOM 0 HA ALA A 46 3.243 -7.314 11.094 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.701 -8.169 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.288 -8.960 12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.846 -9.815 12.747 1.00 0.00 H new ATOM 709 N GLY A 47 5.621 -6.815 10.709 1.00 0.00 N ATOM 710 CA GLY A 47 7.012 -6.469 10.451 1.00 0.00 C ATOM 711 C GLY A 47 7.218 -4.969 10.450 1.00 0.00 C ATOM 712 O GLY A 47 8.107 -4.477 11.137 1.00 0.00 O ATOM 0 H GLY A 47 4.956 -6.087 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.648 -6.924 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.318 -6.880 9.489 1.00 0.00 H new ATOM 716 N ASP A 48 6.283 -4.223 9.863 1.00 0.00 N ATOM 717 CA ASP A 48 6.326 -2.761 9.844 1.00 0.00 C ATOM 718 C ASP A 48 5.772 -2.168 11.143 1.00 0.00 C ATOM 719 O ASP A 48 5.539 -0.974 11.255 1.00 0.00 O ATOM 720 CB ASP A 48 5.550 -2.234 8.641 1.00 0.00 C ATOM 721 CG ASP A 48 6.152 -2.720 7.352 1.00 0.00 C ATOM 722 OD1 ASP A 48 5.791 -3.845 6.949 1.00 0.00 O ATOM 723 OD2 ASP A 48 7.010 -1.966 6.852 1.00 0.00 O ATOM 0 H ASP A 48 5.472 -4.616 9.386 1.00 0.00 H new ATOM 0 HA ASP A 48 7.368 -2.452 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.511 -2.557 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.546 -1.144 8.656 1.00 0.00 H new ATOM 728 N HIS A 49 5.497 -2.994 12.159 1.00 0.00 N ATOM 729 CA HIS A 49 4.944 -2.542 13.450 1.00 0.00 C ATOM 730 C HIS A 49 3.641 -1.743 13.275 1.00 0.00 C ATOM 731 O HIS A 49 3.351 -0.796 14.012 1.00 0.00 O ATOM 732 CB HIS A 49 6.021 -1.731 14.197 1.00 0.00 C ATOM 733 CG HIS A 49 7.169 -2.529 14.749 1.00 0.00 C ATOM 734 ND1 HIS A 49 7.976 -2.085 15.775 1.00 0.00 N ATOM 735 CD2 HIS A 49 7.612 -3.762 14.355 1.00 0.00 C ATOM 736 CE1 HIS A 49 8.891 -3.043 16.015 1.00 0.00 C ATOM 737 NE2 HIS A 49 8.687 -4.074 15.166 1.00 0.00 N ATOM 0 H HIS A 49 5.651 -4.001 12.113 1.00 0.00 H new ATOM 0 HA HIS A 49 4.676 -3.415 14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.419 -0.978 13.517 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.544 -1.198 15.019 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.202 -4.373 13.564 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.665 -2.995 16.767 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.233 -4.935 15.130 1.00 0.00 H new ATOM 746 N ILE A 50 2.849 -2.118 12.276 1.00 0.00 N ATOM 747 CA ILE A 50 1.600 -1.448 11.955 1.00 0.00 C ATOM 748 C ILE A 50 0.468 -2.171 12.664 1.00 0.00 C ATOM 749 O ILE A 50 0.481 -3.381 12.815 1.00 0.00 O ATOM 750 CB ILE A 50 1.350 -1.397 10.439 1.00 0.00 C ATOM 751 CG1 ILE A 50 2.557 -0.802 9.707 1.00 0.00 C ATOM 752 CG2 ILE A 50 0.137 -0.504 10.207 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.404 -0.785 8.183 1.00 0.00 C ATOM 0 H ILE A 50 3.061 -2.904 11.662 1.00 0.00 H new ATOM 0 HA ILE A 50 1.655 -0.414 12.296 1.00 0.00 H new ATOM 0 HB ILE A 50 1.184 -2.405 10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.718 0.217 10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.447 -1.374 9.968 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.071 -0.444 9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.727 -0.923 10.722 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.341 0.494 10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.296 -0.350 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.273 -1.804 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.533 -0.188 7.911 1.00 0.00 H new ATOM 765 N ARG A 51 -0.540 -1.401 13.060 1.00 0.00 N ATOM 766 CA ARG A 51 -1.772 -1.885 13.690 1.00 0.00 C ATOM 767 C ARG A 51 -3.027 -1.565 12.911 1.00 0.00 C ATOM 768 O ARG A 51 -4.021 -2.258 13.064 1.00 0.00 O ATOM 769 CB ARG A 51 -1.872 -1.325 15.108 1.00 0.00 C ATOM 770 CG ARG A 51 -1.807 0.218 15.157 1.00 0.00 C ATOM 771 CD ARG A 51 -1.125 0.692 16.440 1.00 0.00 C ATOM 772 NE ARG A 51 -1.918 0.330 17.625 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.937 1.006 18.119 1.00 0.00 C ATOM 774 NH1 ARG A 51 -3.342 2.117 17.570 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.562 0.583 19.175 1.00 0.00 N ATOM 0 H ARG A 51 -0.525 -0.387 12.949 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.706 -2.973 13.710 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.807 -1.658 15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.063 -1.736 15.712 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.261 0.591 14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.814 0.631 15.101 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.132 0.248 16.513 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.989 1.773 16.406 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.654 -0.527 18.112 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.869 2.479 16.742 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.132 2.624 17.968 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.266 -0.280 19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.349 1.114 19.549 1.00 0.00 H new ATOM 789 N TRP A 52 -2.991 -0.469 12.143 1.00 0.00 N ATOM 790 CA TRP A 52 -4.113 0.005 11.328 1.00 0.00 C ATOM 791 C TRP A 52 -5.325 0.410 12.164 1.00 0.00 C ATOM 792 O TRP A 52 -6.438 0.434 11.668 1.00 0.00 O ATOM 793 CB TRP A 52 -4.459 -1.074 10.311 1.00 0.00 C ATOM 794 CG TRP A 52 -3.323 -1.499 9.447 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.498 -2.560 9.620 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.874 -0.818 8.259 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.573 -2.588 8.593 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.751 -1.517 7.749 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.280 0.364 7.614 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.047 -1.058 6.642 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.592 0.825 6.492 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.536 0.069 5.972 1.00 0.00 C ATOM 0 H TRP A 52 -2.164 0.124 12.070 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.810 0.915 10.811 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.841 -1.946 10.842 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.266 -0.710 9.675 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.554 -3.271 10.431 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.857 -3.305 8.477 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.128 0.917 7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.149 -1.557 6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.872 1.759 6.028 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.089 0.361 5.033 1.00 0.00 H new ATOM 813 N GLY A 53 -5.106 0.704 13.450 1.00 0.00 N ATOM 814 CA GLY A 53 -6.182 0.971 14.403 1.00 0.00 C ATOM 815 C GLY A 53 -7.261 -0.116 14.440 1.00 0.00 C ATOM 816 O GLY A 53 -8.402 0.193 14.765 1.00 0.00 O ATOM 0 H GLY A 53 -4.173 0.763 13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.753 1.078 15.399 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.648 1.924 14.152 1.00 0.00 H new ATOM 820 N VAL A 54 -6.906 -1.368 14.122 1.00 0.00 N ATOM 821 CA VAL A 54 -7.851 -2.488 14.045 1.00 0.00 C ATOM 822 C VAL A 54 -7.341 -3.637 14.892 1.00 0.00 C ATOM 823 O VAL A 54 -6.150 -3.895 14.896 1.00 0.00 O ATOM 824 CB VAL A 54 -8.023 -2.958 12.590 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.890 -4.223 12.508 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.693 -1.900 11.720 1.00 0.00 C ATOM 0 H VAL A 54 -5.945 -1.634 13.909 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.819 -2.153 14.418 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.015 -3.156 12.226 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.991 -4.528 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.419 -5.025 13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.876 -4.016 12.923 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.793 -2.276 10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.680 -1.671 12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.085 -0.995 11.714 1.00 0.00 H new ATOM 836 N ASN A 55 -8.247 -4.387 15.516 1.00 0.00 N ATOM 837 CA ASN A 55 -7.908 -5.561 16.320 1.00 0.00 C ATOM 838 C ASN A 55 -7.437 -6.745 15.458 1.00 0.00 C ATOM 839 O ASN A 55 -6.497 -7.452 15.795 1.00 0.00 O ATOM 840 CB ASN A 55 -9.155 -5.946 17.124 1.00 0.00 C ATOM 841 CG ASN A 55 -8.835 -7.035 18.123 1.00 0.00 C ATOM 842 OD1 ASN A 55 -9.040 -8.210 17.873 1.00 0.00 O ATOM 843 ND2 ASN A 55 -8.336 -6.653 19.274 1.00 0.00 N ATOM 0 H ASN A 55 -9.248 -4.195 15.478 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.076 -5.315 16.979 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.542 -5.070 17.645 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.939 -6.286 16.447 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.109 -7.346 19.987 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.175 -5.662 19.456 1.00 0.00 H new ATOM 850 N ASN A 56 -8.088 -6.949 14.309 1.00 0.00 N ATOM 851 CA ASN A 56 -7.733 -8.020 13.386 1.00 0.00 C ATOM 852 C ASN A 56 -6.314 -7.859 12.843 1.00 0.00 C ATOM 853 O ASN A 56 -5.539 -8.805 12.902 1.00 0.00 O ATOM 854 CB ASN A 56 -8.717 -8.071 12.212 1.00 0.00 C ATOM 855 CG ASN A 56 -8.598 -9.373 11.429 1.00 0.00 C ATOM 856 OD1 ASN A 56 -8.155 -10.417 11.890 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.046 -9.367 10.199 1.00 0.00 N ATOM 0 H ASN A 56 -8.872 -6.376 13.997 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.783 -8.952 13.950 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.735 -7.964 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.532 -7.228 11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.022 -10.222 9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.419 -8.507 9.796 1.00 0.00 H new ATOM 864 N CYS A 57 -6.007 -6.693 12.264 1.00 0.00 N ATOM 865 CA CYS A 57 -4.679 -6.413 11.744 1.00 0.00 C ATOM 866 C CYS A 57 -3.631 -6.271 12.840 1.00 0.00 C ATOM 867 O CYS A 57 -2.534 -6.751 12.608 1.00 0.00 O ATOM 868 CB CYS A 57 -4.709 -5.137 10.928 1.00 0.00 C ATOM 869 SG CYS A 57 -5.822 -5.254 9.503 1.00 0.00 S ATOM 0 H CYS A 57 -6.671 -5.928 12.147 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.397 -7.265 11.126 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.023 -4.310 11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.702 -4.907 10.581 1.00 0.00 H new ATOM 874 N ASP A 58 -3.962 -5.629 13.975 1.00 0.00 N ATOM 875 CA ASP A 58 -3.087 -5.497 15.159 1.00 0.00 C ATOM 876 C ASP A 58 -2.363 -6.790 15.512 1.00 0.00 C ATOM 877 O ASP A 58 -1.185 -6.742 15.866 1.00 0.00 O ATOM 878 CB ASP A 58 -3.895 -5.021 16.382 1.00 0.00 C ATOM 879 CG ASP A 58 -3.266 -5.313 17.745 1.00 0.00 C ATOM 880 OD1 ASP A 58 -2.115 -4.866 17.964 1.00 0.00 O ATOM 881 OD2 ASP A 58 -4.008 -5.860 18.594 1.00 0.00 O ATOM 0 H ASP A 58 -4.867 -5.176 14.099 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.332 -4.756 14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.050 -3.945 16.296 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.879 -5.488 16.349 1.00 0.00 H new ATOM 886 N LYS A 59 -3.060 -7.926 15.366 1.00 0.00 N ATOM 887 CA LYS A 59 -2.490 -9.252 15.573 1.00 0.00 C ATOM 888 C LYS A 59 -1.065 -9.368 15.011 1.00 0.00 C ATOM 889 O LYS A 59 -0.719 -8.828 13.964 1.00 0.00 O ATOM 890 CB LYS A 59 -3.367 -10.312 14.913 1.00 0.00 C ATOM 891 CG LYS A 59 -4.631 -10.690 15.676 1.00 0.00 C ATOM 892 CD LYS A 59 -5.252 -11.979 15.115 1.00 0.00 C ATOM 893 CE LYS A 59 -6.127 -11.683 13.895 1.00 0.00 C ATOM 894 NZ LYS A 59 -6.999 -12.832 13.565 1.00 0.00 N ATOM 0 H LYS A 59 -4.044 -7.943 15.098 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.446 -9.412 16.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.654 -9.956 13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.770 -11.212 14.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.395 -10.826 16.732 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.354 -9.877 15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.462 -12.677 14.839 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.850 -12.464 15.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.740 -10.803 14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.494 -11.447 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.737 -12.528 12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.430 -13.586 13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.444 -13.191 14.434 1.00 0.00 H new ATOM 908 N ALA A 60 -0.273 -10.203 15.670 1.00 0.00 N ATOM 909 CA ALA A 60 1.117 -10.393 15.286 1.00 0.00 C ATOM 910 C ALA A 60 1.235 -11.514 14.251 1.00 0.00 C ATOM 911 O ALA A 60 1.525 -11.275 13.085 1.00 0.00 O ATOM 912 CB ALA A 60 1.945 -10.651 16.543 1.00 0.00 C ATOM 0 H ALA A 60 -0.570 -10.759 16.472 1.00 0.00 H new ATOM 0 HA ALA A 60 1.509 -9.495 14.808 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.990 -10.795 16.267 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.862 -9.797 17.215 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.576 -11.545 17.045 1.00 0.00 H new ATOM 918 N ASP A 61 0.918 -12.746 14.651 1.00 0.00 N ATOM 919 CA ASP A 61 0.973 -13.924 13.771 1.00 0.00 C ATOM 920 C ASP A 61 -0.248 -14.004 12.826 1.00 0.00 C ATOM 921 O ASP A 61 -0.797 -15.063 12.527 1.00 0.00 O ATOM 922 CB ASP A 61 1.134 -15.188 14.625 1.00 0.00 C ATOM 923 CG ASP A 61 1.628 -16.366 13.774 1.00 0.00 C ATOM 924 OD1 ASP A 61 2.672 -16.180 13.109 1.00 0.00 O ATOM 925 OD2 ASP A 61 0.988 -17.440 13.827 1.00 0.00 O ATOM 0 H ASP A 61 0.613 -12.961 15.600 1.00 0.00 H new ATOM 0 HA ASP A 61 1.841 -13.834 13.118 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.840 -14.998 15.434 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.180 -15.443 15.087 1.00 0.00 H new ATOM 930 N ALA A 62 -0.779 -12.850 12.418 1.00 0.00 N ATOM 931 CA ALA A 62 -1.891 -12.792 11.487 1.00 0.00 C ATOM 932 C ALA A 62 -1.434 -12.953 10.034 1.00 0.00 C ATOM 933 O ALA A 62 -0.268 -13.160 9.709 1.00 0.00 O ATOM 934 CB ALA A 62 -2.639 -11.479 11.682 1.00 0.00 C ATOM 0 H ALA A 62 -0.447 -11.936 12.726 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.559 -13.627 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.476 -11.430 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.014 -11.422 12.704 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.963 -10.644 11.497 1.00 0.00 H new ATOM 940 N ILE A 63 -2.391 -12.807 9.121 1.00 0.00 N ATOM 941 CA ILE A 63 -2.175 -12.976 7.690 1.00 0.00 C ATOM 942 C ILE A 63 -2.712 -11.769 6.955 1.00 0.00 C ATOM 943 O ILE A 63 -3.919 -11.668 6.749 1.00 0.00 O ATOM 944 CB ILE A 63 -2.821 -14.277 7.175 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.310 -15.505 7.951 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.466 -14.407 5.692 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.192 -15.822 9.169 1.00 0.00 C ATOM 0 H ILE A 63 -3.352 -12.564 9.360 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.104 -13.057 7.502 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.901 -14.235 7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.284 -16.369 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.287 -15.326 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.907 -15.319 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.855 -13.546 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.383 -14.448 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.796 -16.695 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.197 -14.968 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.210 -16.028 8.838 1.00 0.00 H new ATOM 959 N LEU A 64 -1.835 -10.842 6.591 1.00 0.00 N ATOM 960 CA LEU A 64 -2.204 -9.635 5.862 1.00 0.00 C ATOM 961 C LEU A 64 -1.682 -9.752 4.425 1.00 0.00 C ATOM 962 O LEU A 64 -1.112 -10.769 4.018 1.00 0.00 O ATOM 963 CB LEU A 64 -1.679 -8.395 6.624 1.00 0.00 C ATOM 964 CG LEU A 64 -2.405 -7.940 7.899 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.670 -7.170 7.537 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.747 -9.104 8.821 1.00 0.00 C ATOM 0 H LEU A 64 -0.838 -10.907 6.795 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.286 -9.516 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.639 -8.588 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.680 -7.556 5.928 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.721 -7.288 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.176 -6.853 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.406 -6.294 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.334 -7.812 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.259 -8.728 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.397 -9.805 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.831 -9.613 9.120 1.00 0.00 H new ATOM 978 N TRP A 65 -1.899 -8.705 3.646 1.00 0.00 N ATOM 979 CA TRP A 65 -1.467 -8.587 2.265 1.00 0.00 C ATOM 980 C TRP A 65 -1.056 -7.170 1.921 1.00 0.00 C ATOM 981 O TRP A 65 -1.338 -6.256 2.672 1.00 0.00 O ATOM 982 CB TRP A 65 -2.605 -9.049 1.364 1.00 0.00 C ATOM 983 CG TRP A 65 -2.750 -10.530 1.313 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.414 -11.304 2.200 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.158 -11.436 0.347 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.260 -12.630 1.840 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.513 -12.763 0.689 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.354 -11.262 -0.792 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.106 -13.864 -0.082 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.904 -12.350 -1.556 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.295 -13.656 -1.213 1.00 0.00 C ATOM 0 H TRP A 65 -2.402 -7.880 3.973 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.588 -9.213 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.539 -8.611 1.716 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.437 -8.672 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.974 -10.945 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.651 -13.414 2.362 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.074 -10.262 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.413 -14.863 0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.259 -12.184 -2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.975 -14.494 -1.814 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.416 -6.990 0.776 1.00 0.00 N ATOM 1003 CA GLU A 66 0.058 -5.696 0.309 1.00 0.00 C ATOM 1004 C GLU A 66 0.049 -5.640 -1.220 1.00 0.00 C ATOM 1005 O GLU A 66 0.500 -6.576 -1.894 1.00 0.00 O ATOM 1006 CB GLU A 66 1.433 -5.358 0.893 1.00 0.00 C ATOM 1007 CG GLU A 66 2.443 -6.473 0.652 1.00 0.00 C ATOM 1008 CD GLU A 66 3.817 -6.093 1.170 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.013 -6.239 2.390 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.631 -5.674 0.312 1.00 0.00 O ATOM 0 H GLU A 66 -0.207 -7.754 0.133 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.628 -4.930 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.800 -4.434 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.338 -5.179 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.106 -7.385 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.501 -6.690 -0.415 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.426 -4.525 -1.778 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.463 -4.342 -3.227 1.00 0.00 C ATOM 1019 C TYR A 67 -0.149 -2.893 -3.621 1.00 0.00 C ATOM 1020 O TYR A 67 -0.513 -1.974 -2.898 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.815 -4.813 -3.775 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.871 -4.916 -5.281 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.406 -6.059 -5.946 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.333 -3.833 -6.034 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.435 -6.147 -7.349 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.329 -3.878 -7.432 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.916 -5.044 -8.089 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.075 -5.093 -9.428 1.00 0.00 O ATOM 0 H TYR A 67 -0.791 -3.735 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 67 0.317 -4.955 -3.679 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.048 -5.788 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.590 -4.124 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.019 -6.887 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.698 -2.950 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.096 -7.041 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.643 -3.017 -8.003 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.418 -5.709 -9.813 1.00 0.00 H new ATOM 1038 N PRO A 68 0.632 -2.657 -4.679 1.00 0.00 N ATOM 1039 CA PRO A 68 0.988 -1.318 -5.155 1.00 0.00 C ATOM 1040 C PRO A 68 -0.179 -0.577 -5.810 1.00 0.00 C ATOM 1041 O PRO A 68 -1.145 -1.178 -6.253 1.00 0.00 O ATOM 1042 CB PRO A 68 2.073 -1.554 -6.197 1.00 0.00 C ATOM 1043 CG PRO A 68 1.785 -2.974 -6.669 1.00 0.00 C ATOM 1044 CD PRO A 68 1.249 -3.689 -5.473 1.00 0.00 C ATOM 0 HA PRO A 68 1.300 -0.696 -4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.012 -0.836 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.071 -1.465 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.063 -2.978 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.689 -3.455 -7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.527 -4.454 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.044 -4.191 -4.922 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.046 0.737 -5.983 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.083 1.545 -6.629 1.00 0.00 C ATOM 1054 C ILE A 69 -0.528 2.851 -7.139 1.00 0.00 C ATOM 1055 O ILE A 69 0.457 3.389 -6.634 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.211 1.847 -5.641 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.529 2.336 -6.284 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.795 2.769 -4.479 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.218 1.273 -7.138 1.00 0.00 C ATOM 0 H ILE A 69 0.772 1.268 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.464 0.969 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.423 0.864 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.211 2.658 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.321 3.209 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.649 2.935 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.989 2.301 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.452 3.724 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.136 1.683 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.553 0.968 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.457 0.408 -6.519 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.232 3.429 -8.090 1.00 0.00 N ATOM 1072 CA TYR A 70 -0.882 4.708 -8.639 1.00 0.00 C ATOM 1073 C TYR A 70 -1.836 5.757 -8.096 1.00 0.00 C ATOM 1074 O TYR A 70 -3.037 5.692 -8.316 1.00 0.00 O ATOM 1075 CB TYR A 70 -0.945 4.595 -10.148 1.00 0.00 C ATOM 1076 CG TYR A 70 0.057 3.623 -10.742 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.103 2.243 -10.538 1.00 0.00 C ATOM 1078 CD2 TYR A 70 1.134 4.083 -11.521 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.824 1.345 -11.074 1.00 0.00 C ATOM 1080 CE2 TYR A 70 2.075 3.179 -12.015 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.909 1.805 -11.820 1.00 0.00 C ATOM 1082 OH TYR A 70 2.798 0.933 -12.343 1.00 0.00 O ATOM 0 H TYR A 70 -2.068 3.015 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 70 0.126 5.011 -8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.949 4.285 -10.436 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.779 5.581 -10.582 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.943 1.875 -9.967 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.233 5.137 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.699 0.285 -10.909 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.938 3.544 -12.552 1.00 0.00 H new ATOM 0 HH TYR A 70 3.067 0.288 -11.656 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.280 6.708 -7.347 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.012 7.879 -6.868 1.00 0.00 C ATOM 1094 C TRP A 71 -2.636 8.679 -8.015 1.00 0.00 C ATOM 1095 O TRP A 71 -2.380 8.435 -9.187 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.068 8.777 -6.056 1.00 0.00 C ATOM 1097 CG TRP A 71 0.306 8.959 -6.605 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.701 9.824 -7.562 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.484 8.207 -6.237 1.00 0.00 C ATOM 1100 NE1 TRP A 71 2.054 9.674 -7.794 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.583 8.685 -6.998 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.701 7.123 -5.372 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.850 8.099 -6.912 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.982 6.576 -5.223 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.055 7.059 -6.003 1.00 0.00 C ATOM 0 H TRP A 71 -0.303 6.687 -7.054 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.828 7.526 -6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.530 9.759 -5.958 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.983 8.364 -5.051 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.057 10.527 -8.069 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.590 10.223 -8.466 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.873 6.707 -4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.658 8.446 -7.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.149 5.783 -4.510 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.037 6.623 -5.896 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.313 9.773 -7.665 1.00 0.00 N ATOM 1117 CA VAL A 72 -3.962 10.645 -8.655 1.00 0.00 C ATOM 1118 C VAL A 72 -2.955 11.260 -9.626 1.00 0.00 C ATOM 1119 O VAL A 72 -3.211 11.354 -10.816 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.726 11.775 -7.958 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.419 12.693 -8.971 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.775 11.212 -6.989 1.00 0.00 C ATOM 0 H VAL A 72 -3.429 10.081 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.652 10.018 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.993 12.357 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.951 13.483 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.673 13.137 -9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.127 12.113 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.304 12.034 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.486 10.597 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.281 10.604 -6.231 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.821 11.738 -9.100 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.775 12.347 -9.924 1.00 0.00 C ATOM 1134 C GLY A 73 -0.255 11.418 -11.023 1.00 0.00 C ATOM 1135 O GLY A 73 0.086 11.878 -12.108 1.00 0.00 O ATOM 0 H GLY A 73 -1.606 11.714 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.165 13.257 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.056 12.643 -9.284 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.137 10.118 -10.730 1.00 0.00 N ATOM 1140 CA LYS A 74 0.234 9.113 -11.721 1.00 0.00 C ATOM 1141 C LYS A 74 -0.871 8.935 -12.772 1.00 0.00 C ATOM 1142 O LYS A 74 -2.045 9.107 -12.492 1.00 0.00 O ATOM 1143 CB LYS A 74 0.494 7.793 -10.997 1.00 0.00 C ATOM 1144 CG LYS A 74 1.949 7.651 -10.547 1.00 0.00 C ATOM 1145 CD LYS A 74 2.109 6.547 -9.489 1.00 0.00 C ATOM 1146 CE LYS A 74 3.545 6.049 -9.367 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.986 5.388 -10.613 1.00 0.00 N ATOM 0 H LYS A 74 -0.297 9.737 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 74 1.133 9.439 -12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.161 7.723 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.238 6.964 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.576 7.424 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.299 8.600 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.777 6.926 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.459 5.710 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.206 6.886 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.621 5.350 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.293 4.417 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.197 5.362 -11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.779 5.919 -11.026 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.471 8.483 -13.958 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.361 8.212 -15.093 1.00 0.00 C ATOM 1163 C ASN A 75 -1.253 6.746 -15.543 1.00 0.00 C ATOM 1164 O ASN A 75 -1.111 6.437 -16.722 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.029 9.193 -16.228 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.155 9.304 -17.248 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -2.934 8.410 -17.518 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -2.313 10.458 -17.837 1.00 0.00 N ATOM 0 H ASN A 75 0.508 8.288 -14.166 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.398 8.364 -14.793 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.826 10.177 -15.806 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.118 8.868 -16.731 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.074 10.591 -18.503 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.676 11.227 -17.631 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.146 5.828 -14.588 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.091 4.408 -14.903 1.00 0.00 C ATOM 1177 C ALA A 76 -1.698 3.580 -13.774 1.00 0.00 C ATOM 1178 O ALA A 76 -2.085 4.136 -12.760 1.00 0.00 O ATOM 1179 CB ALA A 76 0.365 4.024 -15.213 1.00 0.00 C ATOM 0 H ALA A 76 -1.096 6.043 -13.592 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.691 4.193 -15.788 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.418 2.962 -15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.721 4.604 -16.064 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.989 4.233 -14.344 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.750 2.263 -13.949 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.241 1.340 -12.933 1.00 0.00 C ATOM 1187 C GLU A 77 -1.412 0.053 -12.921 1.00 0.00 C ATOM 1188 O GLU A 77 -0.794 -0.322 -13.920 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.715 1.028 -13.197 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.446 0.599 -11.915 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.814 -0.042 -12.215 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.875 -0.962 -13.065 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.801 0.331 -11.543 1.00 0.00 O ATOM 0 H GLU A 77 -1.450 1.803 -14.808 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.144 1.808 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.203 1.908 -13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.791 0.235 -13.941 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.827 -0.110 -11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.586 1.467 -11.271 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.364 -0.609 -11.765 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.587 -1.828 -11.603 1.00 0.00 C ATOM 1202 C TRP A 78 -1.313 -2.994 -12.259 1.00 0.00 C ATOM 1203 O TRP A 78 -2.535 -3.104 -12.210 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.321 -2.119 -10.125 1.00 0.00 C ATOM 1205 CG TRP A 78 0.974 -2.833 -9.904 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.152 -4.173 -9.844 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.281 -2.248 -9.637 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.482 -4.462 -9.606 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.213 -3.305 -9.456 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.769 -0.934 -9.456 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.551 -3.066 -9.137 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.116 -0.672 -9.164 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.015 -1.740 -9.012 1.00 0.00 C ATOM 0 H TRP A 78 -1.860 -0.315 -10.924 1.00 0.00 H new ATOM 0 HA TRP A 78 0.378 -1.692 -12.091 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.314 -1.181 -9.569 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.137 -2.721 -9.724 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.370 -4.908 -9.964 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.869 -5.404 -9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.083 -0.105 -9.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.228 -3.894 -8.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.460 0.346 -9.057 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.056 -1.547 -8.800 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.549 -3.899 -12.856 1.00 0.00 N ATOM 1225 CA ALA A 79 -1.099 -5.084 -13.493 1.00 0.00 C ATOM 1226 C ALA A 79 -1.113 -6.299 -12.555 1.00 0.00 C ATOM 1227 O ALA A 79 -0.583 -6.300 -11.453 1.00 0.00 O ATOM 1228 CB ALA A 79 -0.330 -5.365 -14.785 1.00 0.00 C ATOM 0 H ALA A 79 0.467 -3.831 -12.911 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.144 -4.892 -13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.739 -6.253 -15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.424 -4.512 -15.457 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.722 -5.530 -14.554 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.705 -7.399 -13.012 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.739 -8.651 -12.245 1.00 0.00 C ATOM 1236 C LYS A 80 -0.456 -9.443 -12.429 1.00 0.00 C ATOM 1237 O LYS A 80 0.234 -9.745 -11.464 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.962 -9.476 -12.652 1.00 0.00 C ATOM 1239 CG LYS A 80 -4.207 -9.077 -11.845 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.913 -7.836 -12.416 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.663 -8.164 -13.714 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.930 -8.885 -13.441 1.00 0.00 N ATOM 0 H LYS A 80 -2.173 -7.453 -13.917 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.819 -8.409 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.157 -9.338 -13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.754 -10.535 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.907 -9.912 -11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.918 -8.882 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.613 -7.443 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.179 -7.054 -12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.877 -7.242 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.028 -8.772 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.453 -9.017 -14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.718 -9.813 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.509 -8.331 -12.778 1.00 0.00 H new ATOM 1256 N ASP A 81 -0.161 -9.804 -13.671 1.00 0.00 N ATOM 1257 CA ASP A 81 1.015 -10.591 -14.031 1.00 0.00 C ATOM 1258 C ASP A 81 2.227 -9.702 -14.353 1.00 0.00 C ATOM 1259 O ASP A 81 2.898 -9.845 -15.366 1.00 0.00 O ATOM 1260 CB ASP A 81 0.675 -11.544 -15.186 1.00 0.00 C ATOM 1261 CG ASP A 81 1.775 -12.589 -15.349 1.00 0.00 C ATOM 1262 OD1 ASP A 81 2.407 -12.871 -14.309 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.907 -13.124 -16.466 1.00 0.00 O ATOM 0 H ASP A 81 -0.741 -9.555 -14.472 1.00 0.00 H new ATOM 0 HA ASP A 81 1.303 -11.191 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.278 -12.036 -14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.560 -10.979 -16.111 1.00 0.00 H new ATOM 1268 N VAL A 82 2.493 -8.712 -13.499 1.00 0.00 N ATOM 1269 CA VAL A 82 3.596 -7.778 -13.707 1.00 0.00 C ATOM 1270 C VAL A 82 4.272 -7.481 -12.383 1.00 0.00 C ATOM 1271 O VAL A 82 3.687 -6.848 -11.507 1.00 0.00 O ATOM 1272 CB VAL A 82 3.099 -6.492 -14.373 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.232 -5.474 -14.482 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.574 -6.759 -15.789 1.00 0.00 C ATOM 0 H VAL A 82 1.954 -8.537 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 82 4.326 -8.234 -14.376 1.00 0.00 H new ATOM 0 HB VAL A 82 2.293 -6.105 -13.750 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.861 -4.566 -14.958 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.604 -5.236 -13.486 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.041 -5.893 -15.081 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.230 -5.824 -16.232 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.373 -7.177 -16.401 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.745 -7.466 -15.743 1.00 0.00 H new ATOM 1284 N LYS A 83 5.531 -7.911 -12.263 1.00 0.00 N ATOM 1285 CA LYS A 83 6.346 -7.631 -11.080 1.00 0.00 C ATOM 1286 C LYS A 83 6.752 -6.166 -11.040 1.00 0.00 C ATOM 1287 O LYS A 83 6.793 -5.511 -12.073 1.00 0.00 O ATOM 1288 CB LYS A 83 7.576 -8.551 -11.090 1.00 0.00 C ATOM 1289 CG LYS A 83 8.050 -8.854 -9.664 1.00 0.00 C ATOM 1290 CD LYS A 83 9.109 -9.961 -9.646 1.00 0.00 C ATOM 1291 CE LYS A 83 10.509 -9.387 -9.902 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.565 -10.318 -9.439 1.00 0.00 N ATOM 0 H LYS A 83 6.010 -8.459 -12.978 1.00 0.00 H new ATOM 0 HA LYS A 83 5.763 -7.828 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.333 -9.482 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.382 -8.079 -11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.461 -7.949 -9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.199 -9.154 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.091 -10.470 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.873 -10.707 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.635 -9.191 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.612 -8.432 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.500 -9.903 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.457 -10.485 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.480 -11.221 -9.948 1.00 0.00 H new ATOM 1306 N THR A 84 7.276 -5.703 -9.909 1.00 0.00 N ATOM 1307 CA THR A 84 7.837 -4.346 -9.759 1.00 0.00 C ATOM 1308 C THR A 84 8.936 -4.018 -10.762 1.00 0.00 C ATOM 1309 O THR A 84 9.060 -2.868 -11.149 1.00 0.00 O ATOM 1310 CB THR A 84 8.401 -4.141 -8.348 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.043 -5.324 -7.916 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.314 -3.846 -7.323 1.00 0.00 C ATOM 0 H THR A 84 7.328 -6.259 -9.055 1.00 0.00 H new ATOM 0 HA THR A 84 7.001 -3.673 -9.948 1.00 0.00 H new ATOM 0 HB THR A 84 9.085 -3.294 -8.412 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.404 -5.190 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.767 -3.709 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.783 -2.938 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.613 -4.680 -7.286 1.00 0.00 H new ATOM 1320 N SER A 85 9.714 -5.025 -11.178 1.00 0.00 N ATOM 1321 CA SER A 85 10.771 -4.873 -12.185 1.00 0.00 C ATOM 1322 C SER A 85 10.227 -4.598 -13.589 1.00 0.00 C ATOM 1323 O SER A 85 10.660 -3.661 -14.244 1.00 0.00 O ATOM 1324 CB SER A 85 11.679 -6.111 -12.194 1.00 0.00 C ATOM 1325 OG SER A 85 11.050 -7.316 -12.618 1.00 0.00 O ATOM 0 H SER A 85 9.626 -5.977 -10.822 1.00 0.00 H new ATOM 0 HA SER A 85 11.352 -3.996 -11.900 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.530 -5.914 -12.846 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.075 -6.260 -11.189 1.00 0.00 H new ATOM 0 HG SER A 85 11.699 -8.050 -12.595 1.00 0.00 H new ATOM 1331 N GLN A 86 9.286 -5.431 -14.044 1.00 0.00 N ATOM 1332 CA GLN A 86 8.642 -5.281 -15.344 1.00 0.00 C ATOM 1333 C GLN A 86 7.754 -4.040 -15.373 1.00 0.00 C ATOM 1334 O GLN A 86 7.633 -3.412 -16.418 1.00 0.00 O ATOM 1335 CB GLN A 86 7.824 -6.546 -15.650 1.00 0.00 C ATOM 1336 CG GLN A 86 7.052 -6.464 -16.985 1.00 0.00 C ATOM 1337 CD GLN A 86 7.964 -6.694 -18.184 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.323 -5.806 -18.938 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.392 -7.921 -18.377 1.00 0.00 N ATOM 0 H GLN A 86 8.950 -6.234 -13.512 1.00 0.00 H new ATOM 0 HA GLN A 86 9.407 -5.153 -16.110 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.493 -7.406 -15.677 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.117 -6.718 -14.839 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.253 -7.206 -16.989 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.579 -5.486 -17.071 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.096 -8.669 -17.750 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.021 -8.126 -19.154 1.00 0.00 H new ATOM 1348 N GLN A 87 7.126 -3.710 -14.240 1.00 0.00 N ATOM 1349 CA GLN A 87 6.214 -2.595 -14.113 1.00 0.00 C ATOM 1350 C GLN A 87 6.757 -1.348 -14.793 1.00 0.00 C ATOM 1351 O GLN A 87 7.845 -0.872 -14.477 1.00 0.00 O ATOM 1352 CB GLN A 87 5.914 -2.309 -12.637 1.00 0.00 C ATOM 1353 CG GLN A 87 4.543 -1.666 -12.463 1.00 0.00 C ATOM 1354 CD GLN A 87 3.404 -2.400 -13.150 1.00 0.00 C ATOM 1355 OE1 GLN A 87 3.026 -2.065 -14.258 1.00 0.00 O ATOM 1356 NE2 GLN A 87 2.903 -3.470 -12.570 1.00 0.00 N ATOM 0 H GLN A 87 7.248 -4.230 -13.371 1.00 0.00 H new ATOM 0 HA GLN A 87 5.286 -2.871 -14.614 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.957 -3.238 -12.069 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.681 -1.650 -12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.322 -1.597 -11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.584 -0.647 -12.847 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.224 -3.745 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.193 -4.025 -13.049 1.00 0.00 H new ATOM 1365 N LYS A 88 5.979 -0.819 -15.736 1.00 0.00 N ATOM 1366 CA LYS A 88 6.407 0.334 -16.528 1.00 0.00 C ATOM 1367 C LYS A 88 5.809 1.611 -16.014 1.00 0.00 C ATOM 1368 O LYS A 88 6.515 2.609 -15.981 1.00 0.00 O ATOM 1369 CB LYS A 88 6.053 0.160 -18.007 1.00 0.00 C ATOM 1370 CG LYS A 88 6.689 -1.089 -18.633 1.00 0.00 C ATOM 1371 CD LYS A 88 8.214 -0.959 -18.775 1.00 0.00 C ATOM 1372 CE LYS A 88 8.555 -0.200 -20.062 1.00 0.00 C ATOM 1373 NZ LYS A 88 9.863 0.489 -19.957 1.00 0.00 N ATOM 0 H LYS A 88 5.050 -1.169 -15.970 1.00 0.00 H new ATOM 0 HA LYS A 88 7.491 0.394 -16.431 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.970 0.100 -18.111 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.378 1.042 -18.559 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.457 -1.959 -18.019 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.249 -1.265 -19.614 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.625 -0.434 -17.913 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.672 -1.948 -18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.575 -0.896 -20.901 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.774 0.530 -20.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.062 0.992 -20.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.835 1.170 -19.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.611 -0.212 -19.781 1.00 0.00 H new ATOM 1387 N GLY A 89 4.539 1.555 -15.599 1.00 0.00 N ATOM 1388 CA GLY A 89 3.783 2.692 -15.090 1.00 0.00 C ATOM 1389 C GLY A 89 4.630 3.612 -14.217 1.00 0.00 C ATOM 1390 O GLY A 89 4.650 4.826 -14.396 1.00 0.00 O ATOM 0 H GLY A 89 3.998 0.690 -15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.380 3.261 -15.928 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.933 2.330 -14.512 1.00 0.00 H new ATOM 1394 N GLY A 90 5.279 3.039 -13.200 1.00 0.00 N ATOM 1395 CA GLY A 90 6.218 3.754 -12.354 1.00 0.00 C ATOM 1396 C GLY A 90 6.255 3.223 -10.924 1.00 0.00 C ATOM 1397 O GLY A 90 5.265 2.648 -10.464 1.00 0.00 O ATOM 0 H GLY A 90 5.162 2.058 -12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.216 3.684 -12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.951 4.811 -12.337 1.00 0.00 H new ATOM 1401 N PRO A 91 7.311 3.562 -10.171 1.00 0.00 N ATOM 1402 CA PRO A 91 7.481 3.160 -8.784 1.00 0.00 C ATOM 1403 C PRO A 91 6.465 3.842 -7.873 1.00 0.00 C ATOM 1404 O PRO A 91 6.111 5.011 -8.053 1.00 0.00 O ATOM 1405 CB PRO A 91 8.913 3.561 -8.418 1.00 0.00 C ATOM 1406 CG PRO A 91 9.217 4.728 -9.356 1.00 0.00 C ATOM 1407 CD PRO A 91 8.414 4.401 -10.610 1.00 0.00 C ATOM 0 HA PRO A 91 7.316 2.090 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.990 3.858 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.610 2.736 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.912 5.680 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.283 4.802 -9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.047 5.310 -11.087 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.031 3.883 -11.344 1.00 0.00 H new ATOM 1415 N THR A 92 5.998 3.099 -6.878 1.00 0.00 N ATOM 1416 CA THR A 92 5.024 3.564 -5.895 1.00 0.00 C ATOM 1417 C THR A 92 5.305 2.929 -4.526 1.00 0.00 C ATOM 1418 O THR A 92 5.245 1.705 -4.385 1.00 0.00 O ATOM 1419 CB THR A 92 3.569 3.363 -6.338 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.786 3.337 -5.175 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.394 2.110 -7.189 1.00 0.00 C ATOM 0 H THR A 92 6.292 2.134 -6.727 1.00 0.00 H new ATOM 0 HA THR A 92 5.147 4.643 -5.807 1.00 0.00 H new ATOM 0 HB THR A 92 3.251 4.181 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.837 3.350 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.348 2.010 -7.479 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.012 2.188 -8.083 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.697 1.235 -6.614 1.00 0.00 H new ATOM 1429 N PRO A 93 5.657 3.749 -3.520 1.00 0.00 N ATOM 1430 CA PRO A 93 5.880 3.289 -2.163 1.00 0.00 C ATOM 1431 C PRO A 93 4.592 2.907 -1.455 1.00 0.00 C ATOM 1432 O PRO A 93 4.610 2.025 -0.600 1.00 0.00 O ATOM 1433 CB PRO A 93 6.517 4.485 -1.466 1.00 0.00 C ATOM 1434 CG PRO A 93 6.042 5.710 -2.198 1.00 0.00 C ATOM 1435 CD PRO A 93 5.926 5.175 -3.614 1.00 0.00 C ATOM 0 HA PRO A 93 6.497 2.390 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.225 4.523 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.604 4.415 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.089 6.075 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.751 6.535 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.125 5.682 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.846 5.356 -4.169 1.00 0.00 H new ATOM 1443 N ILE A 94 3.508 3.623 -1.771 1.00 0.00 N ATOM 1444 CA ILE A 94 2.192 3.393 -1.196 1.00 0.00 C ATOM 1445 C ILE A 94 1.675 2.027 -1.623 1.00 0.00 C ATOM 1446 O ILE A 94 1.537 1.766 -2.818 1.00 0.00 O ATOM 1447 CB ILE A 94 1.171 4.481 -1.578 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.657 5.851 -1.084 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.218 4.192 -0.961 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.975 7.011 -1.767 1.00 0.00 C ATOM 0 H ILE A 94 3.528 4.389 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 94 2.307 3.432 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 94 1.079 4.482 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.489 5.922 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.733 5.926 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.915 4.979 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.584 3.231 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.134 4.162 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.366 7.948 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.164 6.964 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.099 6.960 -1.585 1.00 0.00 H new ATOM 1462 N ARG A 95 1.331 1.189 -0.648 1.00 0.00 N ATOM 1463 CA ARG A 95 0.742 -0.126 -0.883 1.00 0.00 C ATOM 1464 C ARG A 95 -0.496 -0.329 -0.022 1.00 0.00 C ATOM 1465 O ARG A 95 -0.474 -0.067 1.178 1.00 0.00 O ATOM 1466 CB ARG A 95 1.805 -1.208 -0.641 1.00 0.00 C ATOM 1467 CG ARG A 95 2.648 -1.474 -1.897 1.00 0.00 C ATOM 1468 CD ARG A 95 4.040 -1.946 -1.499 1.00 0.00 C ATOM 1469 NE ARG A 95 4.917 -2.102 -2.670 1.00 0.00 N ATOM 1470 CZ ARG A 95 6.227 -2.253 -2.612 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.866 -2.262 -1.476 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.918 -2.394 -3.709 1.00 0.00 N ATOM 0 H ARG A 95 1.455 1.408 0.341 1.00 0.00 H new ATOM 0 HA ARG A 95 0.412 -0.200 -1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.458 -0.899 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.318 -2.132 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.163 -2.227 -2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.720 -0.566 -2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.482 -1.231 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.965 -2.897 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 95 4.482 -2.093 -3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.353 -2.151 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.879 -2.381 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.446 -2.388 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.930 -2.511 -3.663 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.584 -0.799 -0.620 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.788 -1.181 0.122 1.00 0.00 C ATOM 1488 C VAL A 96 -2.576 -2.431 0.935 1.00 0.00 C ATOM 1489 O VAL A 96 -2.133 -3.435 0.402 1.00 0.00 O ATOM 1490 CB VAL A 96 -3.978 -1.371 -0.803 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.775 -2.508 -1.808 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.246 -1.601 -0.011 1.00 0.00 C ATOM 0 H VAL A 96 -1.661 -0.927 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.001 -0.358 0.804 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.071 -0.447 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.658 -2.596 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.904 -2.295 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.619 -3.444 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.084 -1.734 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.134 -2.494 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.435 -0.740 0.631 1.00 0.00 H new ATOM 1502 N VAL A 97 -2.945 -2.385 2.203 1.00 0.00 N ATOM 1503 CA VAL A 97 -2.833 -3.491 3.139 1.00 0.00 C ATOM 1504 C VAL A 97 -4.194 -3.960 3.589 1.00 0.00 C ATOM 1505 O VAL A 97 -5.119 -3.181 3.810 1.00 0.00 O ATOM 1506 CB VAL A 97 -1.978 -3.137 4.352 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -1.768 -4.343 5.288 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.638 -2.566 3.874 1.00 0.00 C ATOM 0 H VAL A 97 -3.345 -1.547 2.625 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.335 -4.301 2.606 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.506 -2.384 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.154 -4.042 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.734 -4.698 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.267 -5.143 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.023 -2.311 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.122 -3.309 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.816 -1.671 3.278 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.349 -5.271 3.664 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.624 -5.890 3.967 1.00 0.00 C ATOM 1520 C TYR A 98 -5.443 -7.257 4.580 1.00 0.00 C ATOM 1521 O TYR A 98 -4.521 -7.987 4.242 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.469 -6.023 2.711 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.747 -6.421 1.438 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.861 -5.530 0.812 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.998 -7.668 0.845 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.156 -5.929 -0.328 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.378 -8.018 -0.373 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.437 -7.148 -0.950 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.824 -7.439 -2.121 1.00 0.00 O ATOM 0 H TYR A 98 -3.590 -5.936 3.516 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.130 -5.244 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.249 -6.760 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.967 -5.070 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.724 -4.536 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.670 -8.364 1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.386 -5.288 -0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.625 -8.950 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.182 -8.279 -2.478 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.334 -7.604 5.504 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.261 -8.899 6.167 1.00 0.00 C ATOM 1541 C ALA A 99 -6.732 -9.994 5.228 1.00 0.00 C ATOM 1542 O ALA A 99 -7.516 -9.717 4.334 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.082 -8.858 7.458 1.00 0.00 C ATOM 0 H ALA A 99 -7.107 -7.012 5.808 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.228 -9.123 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.028 -9.827 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.683 -8.089 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.121 -8.629 7.221 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.306 -11.233 5.483 1.00 0.00 N ATOM 1550 CA ASN A 100 -6.773 -12.399 4.757 1.00 0.00 C ATOM 1551 C ASN A 100 -8.244 -12.679 5.027 1.00 0.00 C ATOM 1552 O ASN A 100 -8.840 -13.365 4.216 1.00 0.00 O ATOM 1553 CB ASN A 100 -5.900 -13.621 5.099 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.510 -14.958 4.717 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.811 -15.785 5.557 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -6.770 -15.176 3.453 1.00 0.00 N ATOM 0 H ASN A 100 -5.621 -11.449 6.207 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.680 -12.193 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -4.939 -13.517 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.700 -13.620 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.227 -16.042 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -6.516 -14.480 2.753 1.00 0.00 H new ATOM 1563 N SER A 101 -8.810 -12.210 6.143 1.00 0.00 N ATOM 1564 CA SER A 101 -10.212 -12.431 6.545 1.00 0.00 C ATOM 1565 C SER A 101 -10.744 -13.811 6.101 1.00 0.00 C ATOM 1566 O SER A 101 -11.849 -13.930 5.585 1.00 0.00 O ATOM 1567 CB SER A 101 -11.068 -11.271 6.018 1.00 0.00 C ATOM 1568 OG SER A 101 -12.383 -11.277 6.535 1.00 0.00 O ATOM 0 H SER A 101 -8.292 -11.647 6.817 1.00 0.00 H new ATOM 0 HA SER A 101 -10.270 -12.445 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.587 -10.327 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.111 -11.323 4.930 1.00 0.00 H new ATOM 0 HG SER A 101 -12.792 -12.154 6.379 1.00 0.00 H new ATOM 1574 N ARG A 102 -9.937 -14.871 6.257 1.00 0.00 N ATOM 1575 CA ARG A 102 -10.231 -16.220 5.738 1.00 0.00 C ATOM 1576 C ARG A 102 -10.745 -16.231 4.283 1.00 0.00 C ATOM 1577 O ARG A 102 -11.826 -16.738 4.005 1.00 0.00 O ATOM 1578 CB ARG A 102 -11.259 -16.854 6.684 1.00 0.00 C ATOM 1579 CG ARG A 102 -10.661 -17.163 8.059 1.00 0.00 C ATOM 1580 CD ARG A 102 -11.778 -17.229 9.099 1.00 0.00 C ATOM 1581 NE ARG A 102 -12.612 -18.435 8.945 1.00 0.00 N ATOM 1582 CZ ARG A 102 -13.855 -18.571 9.365 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -14.468 -17.597 9.977 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -14.498 -19.692 9.189 1.00 0.00 N ATOM 0 H ARG A 102 -9.048 -14.817 6.754 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.303 -16.791 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.108 -16.180 6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.641 -17.773 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.122 -18.110 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.939 -16.394 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.343 -17.215 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.405 -16.342 9.013 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.191 -19.235 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.986 -16.712 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.429 -17.719 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.040 -20.475 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.459 -19.786 9.518 1.00 0.00 H new ATOM 1598 N GLY A 103 -9.964 -15.688 3.349 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.401 -15.527 1.958 1.00 0.00 C ATOM 1600 C GLY A 103 -11.225 -14.261 1.684 1.00 0.00 C ATOM 1601 O GLY A 103 -12.086 -14.268 0.810 1.00 0.00 O ATOM 0 H GLY A 103 -9.019 -15.350 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.521 -15.517 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.993 -16.397 1.675 1.00 0.00 H new ATOM 1605 N ALA A 104 -10.945 -13.157 2.374 1.00 0.00 N ATOM 1606 CA ALA A 104 -11.542 -11.853 2.126 1.00 0.00 C ATOM 1607 C ALA A 104 -10.555 -10.721 2.414 1.00 0.00 C ATOM 1608 O ALA A 104 -9.586 -10.892 3.132 1.00 0.00 O ATOM 1609 CB ALA A 104 -12.803 -11.741 2.991 1.00 0.00 C ATOM 0 H ALA A 104 -10.276 -13.149 3.144 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.808 -11.759 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.273 -10.771 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.501 -12.533 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.533 -11.839 4.042 1.00 0.00 H new ATOM 1615 N VAL A 105 -10.832 -9.533 1.889 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.057 -8.307 2.088 1.00 0.00 C ATOM 1617 C VAL A 105 -10.906 -7.261 2.796 1.00 0.00 C ATOM 1618 O VAL A 105 -11.986 -6.915 2.328 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.543 -7.762 0.742 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -10.571 -7.833 -0.395 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.045 -6.315 0.857 1.00 0.00 C ATOM 0 H VAL A 105 -11.640 -9.388 1.284 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.194 -8.540 2.712 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.715 -8.424 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.132 -7.431 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.861 -8.871 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.451 -7.248 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.692 -5.973 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.861 -5.675 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.227 -6.268 1.576 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.366 -6.693 3.873 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.025 -5.625 4.629 1.00 0.00 C ATOM 1633 C GLN A 106 -10.382 -4.250 4.475 1.00 0.00 C ATOM 1634 O GLN A 106 -10.529 -3.450 5.390 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.159 -6.054 6.094 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.822 -6.052 6.854 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.943 -6.712 8.215 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.431 -7.818 8.377 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.411 -6.098 9.246 1.00 0.00 N ATOM 0 H GLN A 106 -9.456 -6.960 4.249 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.018 -5.489 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.857 -5.386 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.590 -7.054 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.068 -6.573 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.476 -5.026 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.998 -5.173 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.411 -6.546 10.162 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.653 -4.008 3.370 1.00 0.00 N ATOM 1649 CA TYR A 107 -8.875 -2.780 3.113 1.00 0.00 C ATOM 1650 C TYR A 107 -8.356 -2.225 4.451 1.00 0.00 C ATOM 1651 O TYR A 107 -8.753 -1.158 4.901 1.00 0.00 O ATOM 1652 CB TYR A 107 -9.746 -1.782 2.316 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.328 -0.324 2.398 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.040 0.061 1.973 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.132 0.597 3.109 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.574 1.359 2.222 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.663 1.898 3.367 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.380 2.276 2.923 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.885 3.497 3.231 1.00 0.00 O ATOM 0 H TYR A 107 -9.587 -4.682 2.607 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.998 -2.983 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -9.742 -2.083 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.774 -1.865 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.411 -0.647 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.111 0.300 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.595 1.656 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.282 2.603 3.902 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.035 3.680 4.182 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.585 -3.029 5.182 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.079 -2.638 6.496 1.00 0.00 C ATOM 1671 C CYS A 108 -6.544 -1.194 6.522 1.00 0.00 C ATOM 1672 O CYS A 108 -6.729 -0.464 7.492 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.981 -3.610 6.912 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.635 -3.440 8.657 1.00 0.00 S ATOM 0 H CYS A 108 -7.296 -3.961 4.884 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.911 -2.675 7.199 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.288 -4.633 6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.077 -3.418 6.334 1.00 0.00 H new ATOM 1679 N GLY A 109 -5.922 -0.793 5.418 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.540 0.571 5.121 1.00 0.00 C ATOM 1681 C GLY A 109 -4.402 0.592 4.119 1.00 0.00 C ATOM 1682 O GLY A 109 -3.807 -0.422 3.797 1.00 0.00 O ATOM 0 H GLY A 109 -5.662 -1.444 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.395 1.117 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.237 1.079 6.037 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.051 1.757 3.620 1.00 0.00 N ATOM 1687 CA VAL A 110 -2.898 1.962 2.732 1.00 0.00 C ATOM 1688 C VAL A 110 -1.719 2.494 3.525 1.00 0.00 C ATOM 1689 O VAL A 110 -1.907 3.374 4.347 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.260 2.943 1.610 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -3.739 2.145 0.400 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.363 3.938 2.012 1.00 0.00 C ATOM 0 H VAL A 110 -4.563 2.617 3.817 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.624 1.005 2.287 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.366 3.524 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.000 2.830 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.944 1.478 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.615 1.557 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.574 4.605 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.268 3.391 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.030 4.524 2.868 1.00 0.00 H new ATOM 1702 N MET A 111 -0.530 1.934 3.329 1.00 0.00 N ATOM 1703 CA MET A 111 0.709 2.380 3.980 1.00 0.00 C ATOM 1704 C MET A 111 1.622 3.030 2.958 1.00 0.00 C ATOM 1705 O MET A 111 1.391 2.887 1.763 1.00 0.00 O ATOM 1706 CB MET A 111 1.427 1.213 4.667 1.00 0.00 C ATOM 1707 CG MET A 111 1.821 0.094 3.691 1.00 0.00 C ATOM 1708 SD MET A 111 2.380 -1.400 4.525 1.00 0.00 S ATOM 1709 CE MET A 111 2.718 -2.467 3.101 1.00 0.00 C ATOM 0 H MET A 111 -0.392 1.141 2.702 1.00 0.00 H new ATOM 0 HA MET A 111 0.449 3.110 4.747 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.322 1.586 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.780 0.801 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.966 -0.147 3.059 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.612 0.454 3.033 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.902 -3.485 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.859 -2.461 2.430 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.596 -2.099 2.571 1.00 0.00 H new ATOM 1719 N THR A 112 2.697 3.670 3.394 1.00 0.00 N ATOM 1720 CA THR A 112 3.679 4.309 2.532 1.00 0.00 C ATOM 1721 C THR A 112 5.017 4.461 3.226 1.00 0.00 C ATOM 1722 O THR A 112 5.124 4.283 4.425 1.00 0.00 O ATOM 1723 CB THR A 112 3.168 5.679 2.088 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.943 6.088 0.985 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.265 6.762 3.128 1.00 0.00 C ATOM 0 H THR A 112 2.916 3.761 4.386 1.00 0.00 H new ATOM 0 HA THR A 112 3.824 3.670 1.661 1.00 0.00 H new ATOM 0 HB THR A 112 2.108 5.552 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.636 6.966 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.878 7.695 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.680 6.480 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.307 6.897 3.417 1.00 0.00 H new ATOM 1733 N HIS A 113 6.068 4.797 2.493 1.00 0.00 N ATOM 1734 CA HIS A 113 7.370 5.069 3.094 1.00 0.00 C ATOM 1735 C HIS A 113 7.449 6.489 3.664 1.00 0.00 C ATOM 1736 O HIS A 113 6.786 7.398 3.188 1.00 0.00 O ATOM 1737 CB HIS A 113 8.436 4.892 2.020 1.00 0.00 C ATOM 1738 CG HIS A 113 8.376 3.572 1.302 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.812 3.331 0.010 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.918 2.401 1.807 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.614 2.049 -0.285 1.00 0.00 C ATOM 1742 NE2 HIS A 113 8.058 1.484 0.790 1.00 0.00 N ATOM 0 H HIS A 113 6.047 4.889 1.477 1.00 0.00 H new ATOM 0 HA HIS A 113 7.526 4.376 3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.336 5.695 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.419 4.999 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.526 2.224 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.857 1.559 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.775 0.506 0.849 1.00 0.00 H new ATOM 1751 N SER A 114 8.464 6.739 4.494 1.00 0.00 N ATOM 1752 CA SER A 114 8.739 8.062 5.079 1.00 0.00 C ATOM 1753 C SER A 114 9.972 8.735 4.459 1.00 0.00 C ATOM 1754 O SER A 114 10.628 9.566 5.089 1.00 0.00 O ATOM 1755 CB SER A 114 8.872 7.937 6.599 1.00 0.00 C ATOM 1756 OG SER A 114 10.214 7.707 6.979 1.00 0.00 O ATOM 0 H SER A 114 9.129 6.022 4.785 1.00 0.00 H new ATOM 0 HA SER A 114 7.895 8.712 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.508 8.848 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.245 7.119 6.955 1.00 0.00 H new ATOM 0 HG SER A 114 10.753 8.500 6.774 1.00 0.00 H new ATOM 1762 N LYS A 115 10.406 8.262 3.286 1.00 0.00 N ATOM 1763 CA LYS A 115 11.557 8.808 2.569 1.00 0.00 C ATOM 1764 C LYS A 115 11.238 8.940 1.089 1.00 0.00 C ATOM 1765 O LYS A 115 11.662 8.112 0.291 1.00 0.00 O ATOM 1766 CB LYS A 115 12.803 7.946 2.836 1.00 0.00 C ATOM 1767 CG LYS A 115 14.078 8.525 2.188 1.00 0.00 C ATOM 1768 CD LYS A 115 14.587 9.750 2.946 1.00 0.00 C ATOM 1769 CE LYS A 115 15.322 9.318 4.212 1.00 0.00 C ATOM 1770 NZ LYS A 115 15.699 10.491 5.034 1.00 0.00 N ATOM 0 H LYS A 115 9.961 7.480 2.805 1.00 0.00 H new ATOM 0 HA LYS A 115 11.779 9.810 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.955 7.858 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.632 6.939 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.855 7.761 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.870 8.797 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.255 10.330 2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.751 10.399 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.688 8.650 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.216 8.755 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.197 10.170 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.323 11.115 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.842 11.013 5.308 1.00 0.00 H new ATOM 1784 N VAL A 116 10.439 9.938 0.748 1.00 0.00 N ATOM 1785 CA VAL A 116 10.073 10.204 -0.639 1.00 0.00 C ATOM 1786 C VAL A 116 10.772 11.446 -1.163 1.00 0.00 C ATOM 1787 O VAL A 116 10.138 12.465 -1.319 1.00 0.00 O ATOM 1788 CB VAL A 116 8.545 10.309 -0.806 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.888 8.925 -0.747 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.885 11.197 0.263 1.00 0.00 C ATOM 0 H VAL A 116 10.026 10.585 1.419 1.00 0.00 H new ATOM 0 HA VAL A 116 10.410 9.358 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 116 8.389 10.766 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.810 9.029 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.284 8.300 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.102 8.461 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.809 11.232 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.083 10.784 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.295 12.205 0.202 1.00 0.00 H new ATOM 1800 N ASP A 117 12.064 11.377 -1.462 1.00 0.00 N ATOM 1801 CA ASP A 117 12.832 12.486 -2.019 1.00 0.00 C ATOM 1802 C ASP A 117 12.248 12.998 -3.346 1.00 0.00 C ATOM 1803 O ASP A 117 11.597 14.035 -3.427 1.00 0.00 O ATOM 1804 CB ASP A 117 14.295 12.041 -2.157 1.00 0.00 C ATOM 1805 CG ASP A 117 14.447 10.630 -2.765 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.060 9.631 -2.104 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.764 10.555 -3.973 1.00 0.00 O ATOM 0 H ASP A 117 12.619 10.532 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 117 12.776 13.337 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.829 12.758 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.768 12.059 -1.175 1.00 0.00 H new ATOM 1812 N LYS A 118 12.468 12.250 -4.417 1.00 0.00 N ATOM 1813 CA LYS A 118 11.971 12.580 -5.750 1.00 0.00 C ATOM 1814 C LYS A 118 11.346 11.366 -6.389 1.00 0.00 C ATOM 1815 O LYS A 118 10.307 11.469 -7.035 1.00 0.00 O ATOM 1816 CB LYS A 118 13.134 13.164 -6.560 1.00 0.00 C ATOM 1817 CG LYS A 118 12.860 13.214 -8.075 1.00 0.00 C ATOM 1818 CD LYS A 118 13.206 11.883 -8.760 1.00 0.00 C ATOM 1819 CE LYS A 118 13.394 12.017 -10.261 1.00 0.00 C ATOM 1820 NZ LYS A 118 12.085 12.089 -10.954 1.00 0.00 N ATOM 0 H LYS A 118 13.005 11.383 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 118 11.181 13.330 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.346 14.172 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.028 12.568 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 118 11.810 13.449 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.444 14.017 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 118 14.119 11.481 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.413 11.162 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.976 12.912 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.963 11.167 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.239 12.180 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.542 11.223 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.554 12.914 -10.609 1.00 0.00 H new ATOM 1834 N ASN A 119 12.014 10.219 -6.277 1.00 0.00 N ATOM 1835 CA ASN A 119 11.554 8.964 -6.885 1.00 0.00 C ATOM 1836 C ASN A 119 10.759 8.107 -5.903 1.00 0.00 C ATOM 1837 O ASN A 119 10.513 6.928 -6.149 1.00 0.00 O ATOM 1838 CB ASN A 119 12.740 8.204 -7.484 1.00 0.00 C ATOM 1839 CG ASN A 119 13.072 8.612 -8.907 1.00 0.00 C ATOM 1840 OD1 ASN A 119 12.246 9.009 -9.718 1.00 0.00 O ATOM 1841 ND2 ASN A 119 14.330 8.547 -9.255 1.00 0.00 N ATOM 0 H ASN A 119 12.890 10.130 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 119 10.865 9.211 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.617 8.364 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.523 7.136 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.614 8.826 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.027 8.218 -8.588 1.00 0.00 H new ATOM 1848 N ASN A 120 10.322 8.709 -4.802 1.00 0.00 N ATOM 1849 CA ASN A 120 9.545 8.049 -3.772 1.00 0.00 C ATOM 1850 C ASN A 120 10.170 6.703 -3.357 1.00 0.00 C ATOM 1851 O ASN A 120 9.474 5.688 -3.292 1.00 0.00 O ATOM 1852 CB ASN A 120 8.077 7.926 -4.220 1.00 0.00 C ATOM 1853 CG ASN A 120 7.600 8.956 -5.207 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.438 10.123 -4.920 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.346 8.529 -6.424 1.00 0.00 N ATOM 0 H ASN A 120 10.505 9.692 -4.601 1.00 0.00 H new ATOM 0 HA ASN A 120 9.559 8.662 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.933 6.938 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.442 7.978 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.011 9.181 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.484 7.546 -6.659 1.00 0.00 H new ATOM 1862 N GLN A 121 11.486 6.699 -3.119 1.00 0.00 N ATOM 1863 CA GLN A 121 12.235 5.480 -2.844 1.00 0.00 C ATOM 1864 C GLN A 121 11.677 4.818 -1.586 1.00 0.00 C ATOM 1865 O GLN A 121 10.940 3.835 -1.643 1.00 0.00 O ATOM 1866 CB GLN A 121 13.723 5.823 -2.686 1.00 0.00 C ATOM 1867 CG GLN A 121 14.579 4.548 -2.555 1.00 0.00 C ATOM 1868 CD GLN A 121 15.075 4.064 -3.909 1.00 0.00 C ATOM 1869 OE1 GLN A 121 14.836 2.949 -4.329 1.00 0.00 O ATOM 1870 NE2 GLN A 121 15.774 4.907 -4.637 1.00 0.00 N ATOM 0 H GLN A 121 12.057 7.544 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 121 12.134 4.777 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 121 14.058 6.402 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.863 6.450 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 121 15.431 4.746 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.992 3.762 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.974 5.843 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.116 4.625 -5.556 1.00 0.00 H new ATOM 1879 N GLY A 122 11.965 5.419 -0.433 1.00 0.00 N ATOM 1880 CA GLY A 122 11.566 4.916 0.857 1.00 0.00 C ATOM 1881 C GLY A 122 12.576 3.960 1.441 1.00 0.00 C ATOM 1882 O GLY A 122 12.957 2.987 0.805 1.00 0.00 O ATOM 0 H GLY A 122 12.495 6.289 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.424 5.752 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.604 4.412 0.765 1.00 0.00 H new ATOM 1886 N LYS A 123 12.960 4.242 2.679 1.00 0.00 N ATOM 1887 CA LYS A 123 13.904 3.429 3.442 1.00 0.00 C ATOM 1888 C LYS A 123 13.386 3.007 4.803 1.00 0.00 C ATOM 1889 O LYS A 123 13.692 1.915 5.242 1.00 0.00 O ATOM 1890 CB LYS A 123 15.235 4.167 3.591 1.00 0.00 C ATOM 1891 CG LYS A 123 15.100 5.545 4.272 1.00 0.00 C ATOM 1892 CD LYS A 123 16.429 6.040 4.831 1.00 0.00 C ATOM 1893 CE LYS A 123 16.785 5.267 6.109 1.00 0.00 C ATOM 1894 NZ LYS A 123 18.160 5.587 6.557 1.00 0.00 N ATOM 0 H LYS A 123 12.620 5.055 3.192 1.00 0.00 H new ATOM 0 HA LYS A 123 14.046 2.511 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.921 3.549 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.681 4.300 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.718 6.269 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.369 5.481 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.216 5.911 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.367 7.107 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.075 5.515 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.698 4.196 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.377 5.052 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.837 5.328 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.233 6.606 6.752 1.00 0.00 H new ATOM 1908 N GLU A 124 12.691 3.912 5.484 1.00 0.00 N ATOM 1909 CA GLU A 124 12.082 3.644 6.779 1.00 0.00 C ATOM 1910 C GLU A 124 10.880 2.721 6.616 1.00 0.00 C ATOM 1911 O GLU A 124 10.500 2.383 5.489 1.00 0.00 O ATOM 1912 CB GLU A 124 11.673 4.979 7.424 1.00 0.00 C ATOM 1913 CG GLU A 124 12.790 5.608 8.262 1.00 0.00 C ATOM 1914 CD GLU A 124 13.359 4.636 9.295 1.00 0.00 C ATOM 1915 OE1 GLU A 124 12.555 3.909 9.915 1.00 0.00 O ATOM 1916 OE2 GLU A 124 14.610 4.602 9.352 1.00 0.00 O ATOM 0 H GLU A 124 12.534 4.862 5.147 1.00 0.00 H new ATOM 0 HA GLU A 124 12.798 3.141 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.376 5.678 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.800 4.818 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.591 5.943 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.405 6.492 8.771 1.00 0.00 H new ATOM 1923 N PHE A 125 10.281 2.358 7.749 1.00 0.00 N ATOM 1924 CA PHE A 125 9.059 1.565 7.786 1.00 0.00 C ATOM 1925 C PHE A 125 7.924 2.155 6.920 1.00 0.00 C ATOM 1926 O PHE A 125 7.999 3.269 6.373 1.00 0.00 O ATOM 1927 CB PHE A 125 8.605 1.401 9.247 1.00 0.00 C ATOM 1928 CG PHE A 125 7.612 2.453 9.717 1.00 0.00 C ATOM 1929 CD1 PHE A 125 7.822 3.816 9.445 1.00 0.00 C ATOM 1930 CD2 PHE A 125 6.421 2.059 10.345 1.00 0.00 C ATOM 1931 CE1 PHE A 125 6.869 4.763 9.834 1.00 0.00 C ATOM 1932 CE2 PHE A 125 5.460 2.998 10.742 1.00 0.00 C ATOM 1933 CZ PHE A 125 5.697 4.360 10.500 1.00 0.00 C ATOM 0 H PHE A 125 10.635 2.609 8.672 1.00 0.00 H new ATOM 0 HA PHE A 125 9.286 0.591 7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.156 0.415 9.367 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.482 1.432 9.893 1.00 0.00 H new ATOM 0 HD1 PHE A 125 8.720 4.132 8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.241 1.010 10.526 1.00 0.00 H new ATOM 0 HE1 PHE A 125 7.034 5.809 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 125 4.550 2.678 11.227 1.00 0.00 H new ATOM 0 HZ PHE A 125 4.980 5.099 10.825 1.00 0.00 H new ATOM 1943 N PHE A 126 6.824 1.408 6.862 1.00 0.00 N ATOM 1944 CA PHE A 126 5.676 1.787 6.074 1.00 0.00 C ATOM 1945 C PHE A 126 4.623 2.448 6.968 1.00 0.00 C ATOM 1946 O PHE A 126 3.747 1.797 7.527 1.00 0.00 O ATOM 1947 CB PHE A 126 5.157 0.598 5.277 1.00 0.00 C ATOM 1948 CG PHE A 126 6.066 0.108 4.167 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.387 -0.288 4.433 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.589 0.029 2.848 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.210 -0.786 3.425 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.387 -0.530 1.839 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.699 -0.964 2.134 1.00 0.00 C ATOM 0 H PHE A 126 6.713 0.526 7.363 1.00 0.00 H new ATOM 0 HA PHE A 126 5.961 2.534 5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 126 4.976 -0.227 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.194 0.867 4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.772 -0.205 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.603 0.400 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.239 -1.034 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.999 -0.629 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.303 -1.430 1.369 1.00 0.00 H new ATOM 1963 N GLU A 127 4.718 3.761 7.155 1.00 0.00 N ATOM 1964 CA GLU A 127 3.695 4.523 7.861 1.00 0.00 C ATOM 1965 C GLU A 127 2.335 4.412 7.166 1.00 0.00 C ATOM 1966 O GLU A 127 2.216 4.500 5.949 1.00 0.00 O ATOM 1967 CB GLU A 127 4.129 5.976 8.078 1.00 0.00 C ATOM 1968 CG GLU A 127 4.499 6.734 6.810 1.00 0.00 C ATOM 1969 CD GLU A 127 3.370 7.615 6.278 1.00 0.00 C ATOM 1970 OE1 GLU A 127 2.217 7.533 6.741 1.00 0.00 O ATOM 1971 OE2 GLU A 127 3.670 8.370 5.341 1.00 0.00 O ATOM 0 H GLU A 127 5.502 4.323 6.823 1.00 0.00 H new ATOM 0 HA GLU A 127 3.575 4.084 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.321 6.509 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.985 5.987 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.372 7.356 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.786 6.019 6.039 1.00 0.00 H new ATOM 1978 N LYS A 128 1.301 4.117 7.954 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.084 4.048 7.484 1.00 0.00 C ATOM 1980 C LYS A 128 -0.555 5.416 6.999 1.00 0.00 C ATOM 1981 O LYS A 128 -0.249 6.421 7.625 1.00 0.00 O ATOM 1982 CB LYS A 128 -1.034 3.601 8.593 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.449 2.523 9.502 1.00 0.00 C ATOM 1984 CD LYS A 128 0.133 3.115 10.799 1.00 0.00 C ATOM 1985 CE LYS A 128 -0.997 3.380 11.795 1.00 0.00 C ATOM 1986 NZ LYS A 128 -0.459 3.926 13.064 1.00 0.00 N ATOM 0 H LYS A 128 1.402 3.917 8.949 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.101 3.322 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.306 4.466 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.953 3.225 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.224 1.798 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.332 1.983 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.858 2.426 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 128 0.664 4.042 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.711 4.082 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.539 2.455 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.241 4.099 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.204 3.243 13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 0.038 4.820 12.874 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.433 5.427 6.010 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.980 6.659 5.459 1.00 0.00 C ATOM 2002 C CYS A 129 -3.220 7.090 6.237 1.00 0.00 C ATOM 2003 O CYS A 129 -3.825 6.261 6.924 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.292 6.444 3.978 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.815 6.069 2.986 1.00 0.00 S ATOM 0 H CYS A 129 -1.788 4.581 5.565 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.249 7.462 5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -3.007 5.627 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.772 7.338 3.580 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.599 8.361 6.077 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.766 8.953 6.745 1.00 0.00 C ATOM 2012 C ASP A 130 -5.654 9.783 5.830 1.00 0.00 C ATOM 2013 O ASP A 130 -5.148 10.742 5.193 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.326 9.783 7.959 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.404 9.890 9.053 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -5.362 9.049 9.984 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -6.115 10.922 9.086 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.836 9.393 5.749 1.00 0.00 O ATOM 0 H ASP A 130 -3.101 9.016 5.475 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.378 8.112 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.428 9.338 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.057 10.785 7.626 1.00 0.00 H new TER 2023 ASP A 130