USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 16 TYR OH : rot -96:sc= 0.807 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.959 X(o=-1.6,f=-1.3) USER MOD Set 1.3: A 65 ASN : amide:sc= -1.86 K(o=-1.6,f=-2.8!) USER MOD Set 1.4: A 72 LYS NZ :NH3+ -122:sc= 0.38! (180deg=-2.39!) USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= 0 F(o=-0.71,f=-0.2) USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= -0.197 F(o=-4.4!,f=-0.2) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -0.222! C(o=1.2!,f=-6.9!) USER MOD Set 3.2: A 8 SER OG : rot -16:sc= 1.41 USER MOD Single : A 1 ILE N :NH3+ 138:sc= 1.06 (180deg=-0.475) USER MOD Single : A 15 SER OG : rot 180:sc= 0.013 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.606 F(o=-2.2,f=-0.61) USER MOD Single : A 24 SER OG : rot -87:sc= -0.662 USER MOD Single : A 26 GLN : amide:sc= -2.24 K(o=-2.2,f=-12!) USER MOD Single : A 32 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.374) USER MOD Single : A 33 ASN : amide:sc= 1.21 K(o=1.2,f=-0.076) USER MOD Single : A 35 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.92) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.0025) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00954 USER MOD Single : A 46 SER OG : rot 85:sc= 1.01 USER MOD Single : A 49 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.13) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 0.168 (180deg=-2.17!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.1) USER MOD Single : A 68 SER OG : rot 111:sc= 1.21 USER MOD Single : A 76 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.891 X(o=0.89,f=0.53) USER MOD Single : A 88 SER OG : rot -11:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.690 4.618 14.332 1.00 0.00 N ATOM 2 CA ILE A 1 -0.139 5.559 13.313 1.00 0.00 C ATOM 3 C ILE A 1 -1.320 6.318 12.658 1.00 0.00 C ATOM 4 O ILE A 1 -2.435 5.828 12.685 1.00 0.00 O ATOM 5 CB ILE A 1 0.659 4.693 12.258 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.421 5.565 11.220 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.296 3.773 11.527 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.426 4.652 10.447 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.190 3.708 14.271 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.561 5.021 15.282 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.704 4.469 14.154 1.00 0.00 H new ATOM 0 HA ILE A 1 0.533 6.297 13.750 1.00 0.00 H new ATOM 0 HB ILE A 1 1.400 4.118 12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.719 6.028 10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 1 1.953 6.373 11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.257 3.177 10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.783 3.111 12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.050 4.367 11.011 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.970 5.248 9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 1 3.132 4.210 11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.879 3.860 9.936 1.00 0.00 H new ATOM 22 N ASP A 2 -1.059 7.458 12.076 1.00 0.00 N ATOM 23 CA ASP A 2 -2.154 8.247 11.423 1.00 0.00 C ATOM 24 C ASP A 2 -2.018 8.108 9.900 1.00 0.00 C ATOM 25 O ASP A 2 -0.927 8.163 9.360 1.00 0.00 O ATOM 26 CB ASP A 2 -2.017 9.736 11.837 1.00 0.00 C ATOM 27 CG ASP A 2 -3.057 10.663 11.173 1.00 0.00 C ATOM 28 OD1 ASP A 2 -3.829 10.182 10.358 1.00 0.00 O ATOM 29 OD2 ASP A 2 -3.009 11.826 11.529 1.00 0.00 O ATOM 0 H ASP A 2 -0.133 7.881 12.023 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.131 7.878 11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.114 9.813 12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.017 10.085 11.581 1.00 0.00 H new ATOM 34 N CYS A 3 -3.128 7.943 9.223 1.00 0.00 N ATOM 35 CA CYS A 3 -3.091 7.799 7.739 1.00 0.00 C ATOM 36 C CYS A 3 -2.498 9.063 7.090 1.00 0.00 C ATOM 37 O CYS A 3 -2.050 9.029 5.964 1.00 0.00 O ATOM 38 CB CYS A 3 -4.507 7.556 7.225 1.00 0.00 C ATOM 39 SG CYS A 3 -4.572 7.035 5.497 1.00 0.00 S ATOM 0 H CYS A 3 -4.059 7.902 9.638 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.457 6.952 7.475 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.983 6.795 7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.088 8.471 7.342 1.00 0.00 H new ATOM 44 N GLY A 4 -2.505 10.158 7.801 1.00 0.00 N ATOM 45 CA GLY A 4 -1.938 11.434 7.256 1.00 0.00 C ATOM 46 C GLY A 4 -0.479 11.214 6.815 1.00 0.00 C ATOM 47 O GLY A 4 -0.014 11.817 5.868 1.00 0.00 O ATOM 0 H GLY A 4 -2.882 10.228 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.535 11.775 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.984 12.215 8.014 1.00 0.00 H new ATOM 51 N HIS A 5 0.217 10.347 7.513 1.00 0.00 N ATOM 52 CA HIS A 5 1.641 10.093 7.129 1.00 0.00 C ATOM 53 C HIS A 5 1.700 8.845 6.246 1.00 0.00 C ATOM 54 O HIS A 5 2.451 8.795 5.292 1.00 0.00 O ATOM 55 CB HIS A 5 2.527 9.843 8.348 1.00 0.00 C ATOM 56 CG HIS A 5 3.968 9.626 7.839 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.372 9.709 6.604 1.00 0.00 N ATOM 58 CD2 HIS A 5 5.112 9.308 8.547 1.00 0.00 C ATOM 59 CE1 HIS A 5 5.642 9.469 6.550 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.143 9.214 7.732 1.00 0.00 N ATOM 0 H HIS A 5 -0.129 9.816 8.312 1.00 0.00 H new ATOM 0 HA HIS A 5 2.005 10.978 6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.486 10.691 9.032 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.180 8.970 8.901 1.00 0.00 H new ATOM 0 HD1 HIS A 5 3.779 9.929 5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.155 9.158 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.220 9.478 5.638 1.00 0.00 H new ATOM 68 N VAL A 6 0.927 7.842 6.558 1.00 0.00 N ATOM 69 CA VAL A 6 0.962 6.607 5.702 1.00 0.00 C ATOM 70 C VAL A 6 0.567 6.969 4.256 1.00 0.00 C ATOM 71 O VAL A 6 1.069 6.401 3.308 1.00 0.00 O ATOM 72 CB VAL A 6 -0.015 5.545 6.225 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.235 4.290 5.421 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.197 5.288 7.697 1.00 0.00 C ATOM 0 H VAL A 6 0.284 7.815 7.349 1.00 0.00 H new ATOM 0 HA VAL A 6 1.974 6.204 5.732 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.045 5.883 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.439 3.502 5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.057 4.493 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.267 3.968 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.509 4.531 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.215 4.935 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.038 6.211 8.254 1.00 0.00 H new ATOM 84 N ASP A 7 -0.343 7.894 4.113 1.00 0.00 N ATOM 85 CA ASP A 7 -0.806 8.359 2.765 1.00 0.00 C ATOM 86 C ASP A 7 0.391 8.719 1.880 1.00 0.00 C ATOM 87 O ASP A 7 0.436 8.437 0.696 1.00 0.00 O ATOM 88 CB ASP A 7 -1.671 9.650 2.894 1.00 0.00 C ATOM 89 CG ASP A 7 -1.837 10.350 1.523 1.00 0.00 C ATOM 90 OD1 ASP A 7 -0.930 11.060 1.117 1.00 0.00 O ATOM 91 OD2 ASP A 7 -2.879 10.125 0.944 1.00 0.00 O ATOM 0 H ASP A 7 -0.800 8.362 4.895 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.385 7.545 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.651 9.396 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.204 10.335 3.601 1.00 0.00 H new ATOM 96 N SER A 8 1.351 9.353 2.502 1.00 0.00 N ATOM 97 CA SER A 8 2.560 9.779 1.753 1.00 0.00 C ATOM 98 C SER A 8 3.519 8.612 1.513 1.00 0.00 C ATOM 99 O SER A 8 4.288 8.627 0.571 1.00 0.00 O ATOM 100 CB SER A 8 3.198 10.940 2.574 1.00 0.00 C ATOM 101 OG SER A 8 3.614 10.444 3.845 1.00 0.00 O ATOM 0 H SER A 8 1.346 9.592 3.494 1.00 0.00 H new ATOM 0 HA SER A 8 2.306 10.128 0.752 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.050 11.356 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.478 11.748 2.704 1.00 0.00 H new ATOM 0 HG SER A 8 3.190 9.577 4.013 1.00 0.00 H new ATOM 107 N LEU A 9 3.467 7.617 2.358 1.00 0.00 N ATOM 108 CA LEU A 9 4.349 6.447 2.203 1.00 0.00 C ATOM 109 C LEU A 9 3.824 5.524 1.083 1.00 0.00 C ATOM 110 O LEU A 9 4.596 4.905 0.380 1.00 0.00 O ATOM 111 CB LEU A 9 4.368 5.801 3.578 1.00 0.00 C ATOM 112 CG LEU A 9 5.198 6.651 4.609 1.00 0.00 C ATOM 113 CD1 LEU A 9 5.118 6.004 5.971 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.663 6.706 4.240 1.00 0.00 C ATOM 0 H LEU A 9 2.837 7.574 3.159 1.00 0.00 H new ATOM 0 HA LEU A 9 5.363 6.698 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.346 5.686 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.795 4.801 3.504 1.00 0.00 H new ATOM 0 HG LEU A 9 4.779 7.657 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.693 6.591 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.077 5.958 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.526 4.995 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.202 7.302 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.072 5.696 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.773 7.160 3.255 1.00 0.00 H new ATOM 126 N VAL A 10 2.533 5.443 0.941 1.00 0.00 N ATOM 127 CA VAL A 10 1.901 4.581 -0.124 1.00 0.00 C ATOM 128 C VAL A 10 1.809 5.319 -1.479 1.00 0.00 C ATOM 129 O VAL A 10 1.701 4.727 -2.539 1.00 0.00 O ATOM 130 CB VAL A 10 0.471 4.211 0.335 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.513 3.630 1.728 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.466 5.401 0.337 1.00 0.00 C ATOM 0 H VAL A 10 1.865 5.945 1.526 1.00 0.00 H new ATOM 0 HA VAL A 10 2.520 3.694 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 10 0.091 3.481 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.497 3.372 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.134 2.734 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.933 4.364 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.455 5.084 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.084 6.164 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.534 5.812 -0.670 1.00 0.00 H new ATOM 142 N ARG A 11 1.830 6.619 -1.408 1.00 0.00 N ATOM 143 CA ARG A 11 1.748 7.465 -2.639 1.00 0.00 C ATOM 144 C ARG A 11 2.834 7.140 -3.684 1.00 0.00 C ATOM 145 O ARG A 11 2.519 7.012 -4.851 1.00 0.00 O ATOM 146 CB ARG A 11 1.841 8.955 -2.180 1.00 0.00 C ATOM 147 CG ARG A 11 0.779 9.879 -2.829 1.00 0.00 C ATOM 148 CD ARG A 11 -0.650 9.374 -2.518 1.00 0.00 C ATOM 149 NE ARG A 11 -1.622 10.423 -2.956 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.304 10.262 -4.054 1.00 0.00 C ATOM 151 NH1 ARG A 11 -3.345 9.486 -4.018 1.00 0.00 N ATOM 152 NH2 ARG A 11 -1.901 10.887 -5.125 1.00 0.00 N ATOM 0 H ARG A 11 1.902 7.144 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 11 0.804 7.260 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.733 8.999 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.834 9.337 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.899 10.897 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.931 9.914 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.843 8.436 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.759 9.176 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.751 11.265 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.607 9.024 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.901 9.339 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.073 11.482 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.414 10.781 -6.000 1.00 0.00 H new ATOM 166 N PRO A 12 4.084 7.029 -3.284 1.00 0.00 N ATOM 167 CA PRO A 12 5.184 6.684 -4.232 1.00 0.00 C ATOM 168 C PRO A 12 4.989 5.338 -4.943 1.00 0.00 C ATOM 169 O PRO A 12 5.399 5.191 -6.077 1.00 0.00 O ATOM 170 CB PRO A 12 6.468 6.722 -3.368 1.00 0.00 C ATOM 171 CG PRO A 12 5.936 6.403 -1.948 1.00 0.00 C ATOM 172 CD PRO A 12 4.626 7.214 -1.901 1.00 0.00 C ATOM 0 HA PRO A 12 5.223 7.390 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.201 5.987 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.954 7.697 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.760 5.336 -1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.635 6.714 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.941 6.836 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.806 8.264 -1.672 1.00 0.00 H new ATOM 180 N CYS A 13 4.390 4.362 -4.293 1.00 0.00 N ATOM 181 CA CYS A 13 4.196 3.069 -4.964 1.00 0.00 C ATOM 182 C CYS A 13 3.010 3.151 -5.921 1.00 0.00 C ATOM 183 O CYS A 13 2.960 2.520 -6.960 1.00 0.00 O ATOM 184 CB CYS A 13 3.991 2.113 -3.890 1.00 0.00 C ATOM 185 SG CYS A 13 5.371 1.884 -2.750 1.00 0.00 S ATOM 0 H CYS A 13 4.037 4.421 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 13 5.046 2.772 -5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.120 2.426 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.749 1.147 -4.333 1.00 0.00 H new ATOM 190 N LEU A 14 2.045 3.935 -5.544 1.00 0.00 N ATOM 191 CA LEU A 14 0.826 4.134 -6.383 1.00 0.00 C ATOM 192 C LEU A 14 1.214 4.722 -7.760 1.00 0.00 C ATOM 193 O LEU A 14 0.558 4.481 -8.758 1.00 0.00 O ATOM 194 CB LEU A 14 -0.053 5.056 -5.552 1.00 0.00 C ATOM 195 CG LEU A 14 -1.365 5.386 -6.267 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.383 5.583 -5.174 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.218 6.666 -7.058 1.00 0.00 C ATOM 0 H LEU A 14 2.046 4.460 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 14 0.297 3.211 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.270 4.585 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.487 5.979 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.654 4.597 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.350 5.823 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.469 4.668 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.067 6.401 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.157 6.892 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.963 7.483 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.427 6.547 -7.799 1.00 0.00 H new ATOM 209 N SER A 15 2.259 5.502 -7.783 1.00 0.00 N ATOM 210 CA SER A 15 2.738 6.121 -9.054 1.00 0.00 C ATOM 211 C SER A 15 2.974 5.071 -10.157 1.00 0.00 C ATOM 212 O SER A 15 2.954 5.375 -11.332 1.00 0.00 O ATOM 213 CB SER A 15 4.021 6.880 -8.716 1.00 0.00 C ATOM 214 OG SER A 15 3.567 7.745 -7.676 1.00 0.00 O ATOM 0 H SER A 15 2.812 5.742 -6.960 1.00 0.00 H new ATOM 0 HA SER A 15 1.982 6.796 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.816 6.215 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.409 7.433 -9.571 1.00 0.00 H new ATOM 0 HG SER A 15 4.312 8.298 -7.362 1.00 0.00 H new ATOM 220 N TYR A 16 3.178 3.849 -9.759 1.00 0.00 N ATOM 221 CA TYR A 16 3.428 2.740 -10.736 1.00 0.00 C ATOM 222 C TYR A 16 2.102 2.041 -11.028 1.00 0.00 C ATOM 223 O TYR A 16 1.767 1.731 -12.155 1.00 0.00 O ATOM 224 CB TYR A 16 4.453 1.880 -10.029 1.00 0.00 C ATOM 225 CG TYR A 16 4.850 0.558 -10.686 1.00 0.00 C ATOM 226 CD1 TYR A 16 5.719 0.480 -11.756 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.332 -0.597 -10.163 1.00 0.00 C ATOM 228 CE1 TYR A 16 6.061 -0.753 -12.284 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.672 -1.816 -10.687 1.00 0.00 C ATOM 230 CZ TYR A 16 5.534 -1.909 -11.747 1.00 0.00 C ATOM 231 OH TYR A 16 5.830 -3.160 -12.247 1.00 0.00 O ATOM 0 H TYR A 16 3.183 3.560 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 16 3.805 3.041 -11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.357 2.475 -9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.073 1.658 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.133 1.382 -12.182 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.648 -0.546 -9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.743 -0.810 -13.119 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.255 -2.715 -10.259 1.00 0.00 H new ATOM 0 HH TYR A 16 5.125 -3.440 -12.867 1.00 0.00 H new ATOM 241 N VAL A 17 1.379 1.815 -9.973 1.00 0.00 N ATOM 242 CA VAL A 17 0.045 1.139 -10.100 1.00 0.00 C ATOM 243 C VAL A 17 -0.866 1.837 -11.120 1.00 0.00 C ATOM 244 O VAL A 17 -1.687 1.212 -11.758 1.00 0.00 O ATOM 245 CB VAL A 17 -0.679 1.123 -8.755 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.838 0.168 -8.892 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.293 0.664 -7.699 1.00 0.00 C ATOM 0 H VAL A 17 1.647 2.066 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 17 0.248 0.124 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.051 2.107 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.387 0.124 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.503 0.514 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.464 -0.825 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.205 0.646 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.650 -0.337 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.139 1.351 -7.660 1.00 0.00 H new ATOM 257 N GLN A 18 -0.741 3.123 -11.255 1.00 0.00 N ATOM 258 CA GLN A 18 -1.576 3.876 -12.216 1.00 0.00 C ATOM 259 C GLN A 18 -1.357 3.380 -13.660 1.00 0.00 C ATOM 260 O GLN A 18 -2.248 3.418 -14.483 1.00 0.00 O ATOM 261 CB GLN A 18 -1.173 5.340 -12.013 1.00 0.00 C ATOM 262 CG GLN A 18 0.131 5.759 -12.780 1.00 0.00 C ATOM 263 CD GLN A 18 0.520 7.191 -12.385 1.00 0.00 C ATOM 264 OE1 GLN A 18 0.533 7.478 -11.119 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 0.811 8.045 -13.199 1.00 0.00 N flip ATOM 0 H GLN A 18 -0.080 3.693 -10.727 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.644 3.738 -12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.994 5.980 -12.337 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.029 5.522 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.943 5.072 -12.542 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.032 5.699 -13.856 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.802 7.824 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.064 8.982 -12.886 1.00 0.00 H new ATOM 274 N GLY A 19 -0.158 2.929 -13.921 1.00 0.00 N ATOM 275 CA GLY A 19 0.233 2.414 -15.274 1.00 0.00 C ATOM 276 C GLY A 19 1.273 3.336 -15.930 1.00 0.00 C ATOM 277 O GLY A 19 1.230 3.621 -17.108 1.00 0.00 O ATOM 0 H GLY A 19 0.593 2.894 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.640 1.407 -15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.649 2.343 -15.910 1.00 0.00 H new ATOM 281 N GLY A 20 2.200 3.776 -15.124 1.00 0.00 N ATOM 282 CA GLY A 20 3.283 4.677 -15.620 1.00 0.00 C ATOM 283 C GLY A 20 4.636 4.177 -15.095 1.00 0.00 C ATOM 284 O GLY A 20 4.705 3.124 -14.489 1.00 0.00 O ATOM 0 H GLY A 20 2.255 3.548 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.287 4.695 -16.710 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.104 5.699 -15.285 1.00 0.00 H new ATOM 288 N PRO A 21 5.680 4.936 -15.330 1.00 0.00 N ATOM 289 CA PRO A 21 7.035 4.572 -14.836 1.00 0.00 C ATOM 290 C PRO A 21 7.096 4.726 -13.304 1.00 0.00 C ATOM 291 O PRO A 21 6.507 5.635 -12.753 1.00 0.00 O ATOM 292 CB PRO A 21 7.949 5.530 -15.588 1.00 0.00 C ATOM 293 CG PRO A 21 7.052 6.802 -15.679 1.00 0.00 C ATOM 294 CD PRO A 21 5.682 6.223 -16.081 1.00 0.00 C ATOM 0 HA PRO A 21 7.323 3.536 -15.015 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.878 5.720 -15.050 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.223 5.149 -16.572 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.004 7.332 -14.728 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.426 7.509 -16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.858 6.873 -15.786 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.599 6.072 -17.157 1.00 0.00 H new ATOM 302 N GLY A 22 7.808 3.853 -12.639 1.00 0.00 N ATOM 303 CA GLY A 22 7.916 3.935 -11.160 1.00 0.00 C ATOM 304 C GLY A 22 8.193 2.530 -10.610 1.00 0.00 C ATOM 305 O GLY A 22 8.629 1.676 -11.355 1.00 0.00 O ATOM 0 H GLY A 22 8.322 3.082 -13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.718 4.617 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.994 4.333 -10.735 1.00 0.00 H new ATOM 309 N PRO A 23 7.923 2.310 -9.350 1.00 0.00 N ATOM 310 CA PRO A 23 7.295 3.313 -8.454 1.00 0.00 C ATOM 311 C PRO A 23 8.237 4.460 -8.089 1.00 0.00 C ATOM 312 O PRO A 23 7.981 5.589 -8.459 1.00 0.00 O ATOM 313 CB PRO A 23 6.841 2.478 -7.271 1.00 0.00 C ATOM 314 CG PRO A 23 7.884 1.324 -7.189 1.00 0.00 C ATOM 315 CD PRO A 23 8.205 1.020 -8.667 1.00 0.00 C ATOM 0 HA PRO A 23 6.465 3.846 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.825 3.065 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.832 2.092 -7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.775 1.627 -6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.477 0.451 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.243 0.714 -8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.583 0.214 -9.056 1.00 0.00 H new ATOM 323 N SER A 24 9.298 4.140 -7.395 1.00 0.00 N ATOM 324 CA SER A 24 10.297 5.174 -6.959 1.00 0.00 C ATOM 325 C SER A 24 11.337 4.526 -6.059 1.00 0.00 C ATOM 326 O SER A 24 11.142 3.420 -5.597 1.00 0.00 O ATOM 327 CB SER A 24 9.566 6.277 -6.169 1.00 0.00 C ATOM 328 OG SER A 24 8.889 5.514 -5.176 1.00 0.00 O ATOM 0 H SER A 24 9.522 3.188 -7.104 1.00 0.00 H new ATOM 0 HA SER A 24 10.786 5.602 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.259 6.996 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.875 6.841 -6.795 1.00 0.00 H new ATOM 0 HG SER A 24 8.023 5.218 -5.525 1.00 0.00 H new ATOM 334 N GLY A 25 12.412 5.226 -5.817 1.00 0.00 N ATOM 335 CA GLY A 25 13.466 4.651 -4.933 1.00 0.00 C ATOM 336 C GLY A 25 12.959 4.777 -3.485 1.00 0.00 C ATOM 337 O GLY A 25 13.591 4.293 -2.566 1.00 0.00 O ATOM 0 H GLY A 25 12.605 6.157 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.654 3.608 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.408 5.184 -5.059 1.00 0.00 H new ATOM 341 N GLN A 26 11.825 5.419 -3.320 1.00 0.00 N ATOM 342 CA GLN A 26 11.263 5.591 -1.947 1.00 0.00 C ATOM 343 C GLN A 26 10.110 4.598 -1.728 1.00 0.00 C ATOM 344 O GLN A 26 9.680 4.436 -0.611 1.00 0.00 O ATOM 345 CB GLN A 26 10.822 7.081 -1.818 1.00 0.00 C ATOM 346 CG GLN A 26 12.061 8.023 -2.124 1.00 0.00 C ATOM 347 CD GLN A 26 12.106 8.476 -3.599 1.00 0.00 C ATOM 348 OE1 GLN A 26 11.922 7.708 -4.525 1.00 0.00 O ATOM 349 NE2 GLN A 26 12.354 9.724 -3.870 1.00 0.00 N ATOM 0 H GLN A 26 11.270 5.827 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 26 11.997 5.374 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.009 7.293 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.443 7.274 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.015 8.900 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.983 7.496 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.512 10.389 -3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.390 10.038 -4.840 1.00 0.00 H new ATOM 358 N CYS A 27 9.633 3.954 -2.768 1.00 0.00 N ATOM 359 CA CYS A 27 8.516 2.973 -2.574 1.00 0.00 C ATOM 360 C CYS A 27 9.031 1.856 -1.663 1.00 0.00 C ATOM 361 O CYS A 27 8.422 1.530 -0.666 1.00 0.00 O ATOM 362 CB CYS A 27 8.071 2.415 -3.940 1.00 0.00 C ATOM 363 SG CYS A 27 6.855 1.076 -3.860 1.00 0.00 S ATOM 0 H CYS A 27 9.962 4.062 -3.727 1.00 0.00 H new ATOM 0 HA CYS A 27 7.650 3.451 -2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.653 3.231 -4.530 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.951 2.055 -4.473 1.00 0.00 H new ATOM 368 N CYS A 28 10.183 1.323 -1.952 1.00 0.00 N ATOM 369 CA CYS A 28 10.699 0.221 -1.083 1.00 0.00 C ATOM 370 C CYS A 28 11.217 0.657 0.275 1.00 0.00 C ATOM 371 O CYS A 28 11.302 -0.141 1.181 1.00 0.00 O ATOM 372 CB CYS A 28 11.770 -0.510 -1.881 1.00 0.00 C ATOM 373 SG CYS A 28 10.993 -1.392 -3.251 1.00 0.00 S ATOM 0 H CYS A 28 10.781 1.592 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 28 9.862 -0.430 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.505 0.200 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.304 -1.210 -1.239 1.00 0.00 H new ATOM 378 N ASP A 29 11.555 1.901 0.426 1.00 0.00 N ATOM 379 CA ASP A 29 12.065 2.363 1.744 1.00 0.00 C ATOM 380 C ASP A 29 10.907 2.936 2.561 1.00 0.00 C ATOM 381 O ASP A 29 10.844 2.736 3.755 1.00 0.00 O ATOM 382 CB ASP A 29 13.135 3.427 1.506 1.00 0.00 C ATOM 383 CG ASP A 29 13.942 3.529 2.787 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.537 2.501 3.078 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.909 4.591 3.376 1.00 0.00 O ATOM 0 H ASP A 29 11.502 2.616 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 29 12.502 1.532 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.774 3.152 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.679 4.386 1.259 1.00 0.00 H new ATOM 390 N GLY A 30 10.011 3.616 1.911 1.00 0.00 N ATOM 391 CA GLY A 30 8.837 4.222 2.603 1.00 0.00 C ATOM 392 C GLY A 30 7.843 3.130 3.001 1.00 0.00 C ATOM 393 O GLY A 30 7.292 3.164 4.086 1.00 0.00 O ATOM 0 H GLY A 30 10.041 3.783 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.167 4.765 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.352 4.945 1.948 1.00 0.00 H new ATOM 397 N VAL A 31 7.642 2.155 2.150 1.00 0.00 N ATOM 398 CA VAL A 31 6.676 1.055 2.471 1.00 0.00 C ATOM 399 C VAL A 31 7.308 0.016 3.399 1.00 0.00 C ATOM 400 O VAL A 31 6.657 -0.390 4.341 1.00 0.00 O ATOM 401 CB VAL A 31 6.227 0.502 1.083 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.458 -0.791 1.116 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.344 1.542 0.432 1.00 0.00 C ATOM 0 H VAL A 31 8.105 2.072 1.245 1.00 0.00 H new ATOM 0 HA VAL A 31 5.806 1.394 3.033 1.00 0.00 H new ATOM 0 HB VAL A 31 7.146 0.293 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.196 -1.084 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.072 -1.568 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.548 -0.658 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.015 1.181 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.475 1.728 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.905 2.468 0.305 1.00 0.00 H new ATOM 413 N LYS A 32 8.530 -0.385 3.136 1.00 0.00 N ATOM 414 CA LYS A 32 9.240 -1.392 3.997 1.00 0.00 C ATOM 415 C LYS A 32 9.143 -0.900 5.453 1.00 0.00 C ATOM 416 O LYS A 32 8.806 -1.633 6.365 1.00 0.00 O ATOM 417 CB LYS A 32 10.669 -1.419 3.484 1.00 0.00 C ATOM 418 CG LYS A 32 11.650 -2.343 4.200 1.00 0.00 C ATOM 419 CD LYS A 32 13.032 -2.150 3.487 1.00 0.00 C ATOM 420 CE LYS A 32 13.754 -0.838 3.957 1.00 0.00 C ATOM 421 NZ LYS A 32 14.686 -0.306 2.905 1.00 0.00 N ATOM 0 H LYS A 32 9.078 -0.050 2.344 1.00 0.00 H new ATOM 0 HA LYS A 32 8.820 -2.397 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.645 -1.702 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.064 -0.404 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.720 -2.092 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.322 -3.381 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.670 -3.009 3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.882 -2.116 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.009 -0.080 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.314 -1.038 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.618 0.731 2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.662 -0.582 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.424 -0.699 1.978 1.00 0.00 H new ATOM 435 N ASN A 33 9.421 0.367 5.602 1.00 0.00 N ATOM 436 CA ASN A 33 9.379 1.015 6.954 1.00 0.00 C ATOM 437 C ASN A 33 7.994 0.886 7.569 1.00 0.00 C ATOM 438 O ASN A 33 7.812 0.321 8.628 1.00 0.00 O ATOM 439 CB ASN A 33 9.715 2.509 6.812 1.00 0.00 C ATOM 440 CG ASN A 33 11.182 2.691 7.147 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.573 2.587 8.287 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.025 2.956 6.205 1.00 0.00 N ATOM 0 H ASN A 33 9.679 0.992 4.838 1.00 0.00 H new ATOM 0 HA ASN A 33 10.105 0.518 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.510 2.851 5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.094 3.105 7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.014 3.076 6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.702 3.045 5.242 1.00 0.00 H new ATOM 449 N LEU A 34 7.036 1.419 6.873 1.00 0.00 N ATOM 450 CA LEU A 34 5.612 1.385 7.318 1.00 0.00 C ATOM 451 C LEU A 34 5.188 -0.034 7.732 1.00 0.00 C ATOM 452 O LEU A 34 4.681 -0.267 8.810 1.00 0.00 O ATOM 453 CB LEU A 34 4.763 1.862 6.137 1.00 0.00 C ATOM 454 CG LEU A 34 3.241 1.781 6.419 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.798 2.960 7.250 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.502 1.673 5.108 1.00 0.00 C ATOM 0 H LEU A 34 7.182 1.894 5.982 1.00 0.00 H new ATOM 0 HA LEU A 34 5.477 2.026 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.029 2.891 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.998 1.259 5.260 1.00 0.00 H new ATOM 0 HG LEU A 34 3.009 0.891 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.727 2.889 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.336 2.959 8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.011 3.884 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.430 1.616 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.716 2.550 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.826 0.776 4.581 1.00 0.00 H new ATOM 468 N HIS A 35 5.407 -0.946 6.823 1.00 0.00 N ATOM 469 CA HIS A 35 5.044 -2.379 7.061 1.00 0.00 C ATOM 470 C HIS A 35 5.686 -2.878 8.365 1.00 0.00 C ATOM 471 O HIS A 35 5.037 -3.403 9.248 1.00 0.00 O ATOM 472 CB HIS A 35 5.548 -3.194 5.857 1.00 0.00 C ATOM 473 CG HIS A 35 4.884 -4.577 5.787 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.318 -5.545 5.053 1.00 0.00 N ATOM 475 CD2 HIS A 35 3.759 -5.111 6.403 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.558 -6.584 5.183 1.00 0.00 C ATOM 477 NE2 HIS A 35 3.574 -6.358 6.015 1.00 0.00 N ATOM 0 H HIS A 35 5.827 -0.759 5.913 1.00 0.00 H new ATOM 0 HA HIS A 35 3.965 -2.491 7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.345 -2.646 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.629 -3.313 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.127 -4.581 7.100 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.716 -7.521 4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.833 -6.999 6.299 1.00 0.00 H new ATOM 485 N ASN A 36 6.975 -2.698 8.447 1.00 0.00 N ATOM 486 CA ASN A 36 7.737 -3.129 9.658 1.00 0.00 C ATOM 487 C ASN A 36 7.203 -2.417 10.906 1.00 0.00 C ATOM 488 O ASN A 36 7.186 -2.973 11.985 1.00 0.00 O ATOM 489 CB ASN A 36 9.212 -2.743 9.502 1.00 0.00 C ATOM 490 CG ASN A 36 10.053 -3.531 10.508 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.179 -4.734 10.423 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.652 -2.907 11.477 1.00 0.00 N ATOM 0 H ASN A 36 7.542 -2.265 7.718 1.00 0.00 H new ATOM 0 HA ASN A 36 7.625 -4.208 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.549 -2.953 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.338 -1.673 9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.215 -3.429 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.559 -1.895 11.567 1.00 0.00 H new ATOM 499 N GLN A 37 6.785 -1.195 10.728 1.00 0.00 N ATOM 500 CA GLN A 37 6.258 -0.416 11.880 1.00 0.00 C ATOM 501 C GLN A 37 4.823 -0.751 12.250 1.00 0.00 C ATOM 502 O GLN A 37 3.952 0.064 12.072 1.00 0.00 O ATOM 503 CB GLN A 37 6.390 1.093 11.538 1.00 0.00 C ATOM 504 CG GLN A 37 7.874 1.507 11.514 1.00 0.00 C ATOM 505 CD GLN A 37 7.955 3.016 11.300 1.00 0.00 C ATOM 506 OE1 GLN A 37 7.498 3.792 12.112 1.00 0.00 O ATOM 507 NE2 GLN A 37 8.521 3.487 10.230 1.00 0.00 N ATOM 0 H GLN A 37 6.786 -0.703 9.834 1.00 0.00 H new ATOM 0 HA GLN A 37 6.848 -0.682 12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.933 1.295 10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.851 1.689 12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.359 1.231 12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.400 0.983 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.911 2.849 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.576 4.495 10.084 1.00 0.00 H new ATOM 516 N ALA A 38 4.592 -1.926 12.770 1.00 0.00 N ATOM 517 CA ALA A 38 3.205 -2.329 13.167 1.00 0.00 C ATOM 518 C ALA A 38 3.243 -3.252 14.390 1.00 0.00 C ATOM 519 O ALA A 38 3.382 -4.452 14.263 1.00 0.00 O ATOM 520 CB ALA A 38 2.574 -3.021 11.984 1.00 0.00 C ATOM 0 H ALA A 38 5.308 -2.632 12.940 1.00 0.00 H new ATOM 0 HA ALA A 38 2.617 -1.454 13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.560 -3.328 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.542 -2.336 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.163 -3.899 11.719 1.00 0.00 H new ATOM 526 N ARG A 39 3.120 -2.686 15.561 1.00 0.00 N ATOM 527 CA ARG A 39 3.149 -3.523 16.802 1.00 0.00 C ATOM 528 C ARG A 39 1.717 -3.886 17.219 1.00 0.00 C ATOM 529 O ARG A 39 1.540 -4.758 18.050 1.00 0.00 O ATOM 530 CB ARG A 39 3.841 -2.717 17.907 1.00 0.00 C ATOM 531 CG ARG A 39 4.394 -3.684 18.991 1.00 0.00 C ATOM 532 CD ARG A 39 5.122 -2.882 20.090 1.00 0.00 C ATOM 533 NE ARG A 39 5.648 -3.853 21.108 1.00 0.00 N ATOM 534 CZ ARG A 39 6.924 -3.931 21.345 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.620 -4.751 20.619 1.00 0.00 N ATOM 536 NH2 ARG A 39 7.411 -3.181 22.286 1.00 0.00 N ATOM 0 H ARG A 39 3.001 -1.685 15.715 1.00 0.00 H new ATOM 0 HA ARG A 39 3.696 -4.449 16.623 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.653 -2.125 17.485 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.136 -2.017 18.356 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.578 -4.258 19.429 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.079 -4.399 18.537 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.939 -2.302 19.660 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.440 -2.173 20.558 1.00 0.00 H new ATOM 0 HE ARG A 39 5.000 -4.455 21.616 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.163 -5.305 19.894 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.624 -4.842 20.773 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.797 -2.558 22.811 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.408 -3.215 22.501 1.00 0.00 H new ATOM 550 N SER A 40 0.744 -3.220 16.641 1.00 0.00 N ATOM 551 CA SER A 40 -0.681 -3.530 17.008 1.00 0.00 C ATOM 552 C SER A 40 -1.563 -3.646 15.764 1.00 0.00 C ATOM 553 O SER A 40 -1.278 -3.032 14.751 1.00 0.00 O ATOM 554 CB SER A 40 -1.246 -2.411 17.908 1.00 0.00 C ATOM 555 OG SER A 40 -0.590 -2.606 19.152 1.00 0.00 O ATOM 0 H SER A 40 0.868 -2.487 15.943 1.00 0.00 H new ATOM 0 HA SER A 40 -0.686 -4.483 17.537 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.036 -1.424 17.497 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.328 -2.490 18.011 1.00 0.00 H new ATOM 0 HG SER A 40 -0.893 -1.928 19.791 1.00 0.00 H new ATOM 561 N GLN A 41 -2.633 -4.401 15.859 1.00 0.00 N ATOM 562 CA GLN A 41 -3.553 -4.564 14.683 1.00 0.00 C ATOM 563 C GLN A 41 -3.924 -3.194 14.095 1.00 0.00 C ATOM 564 O GLN A 41 -4.089 -3.059 12.894 1.00 0.00 O ATOM 565 CB GLN A 41 -4.858 -5.340 15.133 1.00 0.00 C ATOM 566 CG GLN A 41 -5.838 -5.522 13.908 1.00 0.00 C ATOM 567 CD GLN A 41 -7.024 -6.478 14.175 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.103 -7.150 15.283 1.00 0.00 O flip ATOM 569 NE2 GLN A 41 -7.905 -6.622 13.351 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.910 -4.911 16.698 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.042 -5.139 13.911 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.588 -6.315 15.539 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.359 -4.791 15.930 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.231 -4.546 13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.270 -5.896 13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.870 -6.107 12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.680 -7.258 13.539 1.00 0.00 H new ATOM 578 N SER A 42 -4.033 -2.211 14.945 1.00 0.00 N ATOM 579 CA SER A 42 -4.391 -0.843 14.486 1.00 0.00 C ATOM 580 C SER A 42 -3.347 -0.246 13.539 1.00 0.00 C ATOM 581 O SER A 42 -3.697 0.459 12.616 1.00 0.00 O ATOM 582 CB SER A 42 -4.552 0.038 15.725 1.00 0.00 C ATOM 583 OG SER A 42 -5.452 -0.706 16.550 1.00 0.00 O ATOM 0 H SER A 42 -3.887 -2.300 15.951 1.00 0.00 H new ATOM 0 HA SER A 42 -5.320 -0.895 13.918 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.598 0.207 16.224 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.957 1.017 15.471 1.00 0.00 H new ATOM 0 HG SER A 42 -5.617 -0.214 17.381 1.00 0.00 H new ATOM 589 N ASP A 43 -2.089 -0.553 13.742 1.00 0.00 N ATOM 590 CA ASP A 43 -1.082 0.047 12.832 1.00 0.00 C ATOM 591 C ASP A 43 -1.188 -0.523 11.420 1.00 0.00 C ATOM 592 O ASP A 43 -0.962 0.185 10.460 1.00 0.00 O ATOM 593 CB ASP A 43 0.340 -0.152 13.449 1.00 0.00 C ATOM 594 CG ASP A 43 0.973 1.227 13.134 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.636 2.095 13.935 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.691 1.387 12.168 1.00 0.00 O ATOM 0 H ASP A 43 -1.731 -1.170 14.471 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.273 1.116 12.734 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.304 -0.358 14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.883 -0.975 12.984 1.00 0.00 H new ATOM 601 N ARG A 44 -1.548 -1.770 11.305 1.00 0.00 N ATOM 602 CA ARG A 44 -1.682 -2.387 9.941 1.00 0.00 C ATOM 603 C ARG A 44 -3.039 -1.922 9.362 1.00 0.00 C ATOM 604 O ARG A 44 -3.127 -1.505 8.223 1.00 0.00 O ATOM 605 CB ARG A 44 -1.669 -3.914 10.068 1.00 0.00 C ATOM 606 CG ARG A 44 -1.387 -4.517 8.675 1.00 0.00 C ATOM 607 CD ARG A 44 -2.016 -5.898 8.577 1.00 0.00 C ATOM 608 NE ARG A 44 -3.505 -5.728 8.701 1.00 0.00 N ATOM 609 CZ ARG A 44 -4.210 -6.557 9.415 1.00 0.00 C ATOM 610 NH1 ARG A 44 -3.991 -7.837 9.349 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.133 -6.056 10.173 1.00 0.00 N ATOM 0 H ARG A 44 -1.756 -2.392 12.087 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.860 -2.086 9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.905 -4.229 10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.626 -4.271 10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.790 -3.867 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.312 -4.584 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.762 -6.368 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.638 -6.548 9.366 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.967 -4.956 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.262 -8.199 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.548 -8.479 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.284 -5.047 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.709 -6.670 10.749 1.00 0.00 H new ATOM 625 N GLN A 45 -4.071 -2.001 10.162 1.00 0.00 N ATOM 626 CA GLN A 45 -5.441 -1.576 9.721 1.00 0.00 C ATOM 627 C GLN A 45 -5.395 -0.104 9.251 1.00 0.00 C ATOM 628 O GLN A 45 -6.049 0.276 8.296 1.00 0.00 O ATOM 629 CB GLN A 45 -6.383 -1.741 10.931 1.00 0.00 C ATOM 630 CG GLN A 45 -7.833 -1.992 10.470 1.00 0.00 C ATOM 631 CD GLN A 45 -8.332 -3.218 11.226 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.248 -4.367 10.630 1.00 0.00 O flip ATOM 633 NE2 GLN A 45 -8.782 -3.160 12.350 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.025 -2.348 11.120 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.798 -2.181 8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.045 -2.572 11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.344 -0.846 11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.461 -1.126 10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.873 -2.159 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.851 -2.260 12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.091 -4.011 12.820 1.00 0.00 H new ATOM 642 N SER A 46 -4.619 0.692 9.944 1.00 0.00 N ATOM 643 CA SER A 46 -4.497 2.137 9.572 1.00 0.00 C ATOM 644 C SER A 46 -3.954 2.273 8.146 1.00 0.00 C ATOM 645 O SER A 46 -4.594 2.809 7.257 1.00 0.00 O ATOM 646 CB SER A 46 -3.538 2.827 10.557 1.00 0.00 C ATOM 647 OG SER A 46 -4.268 3.018 11.765 1.00 0.00 O ATOM 0 H SER A 46 -4.065 0.405 10.751 1.00 0.00 H new ATOM 0 HA SER A 46 -5.480 2.606 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.653 2.214 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.192 3.780 10.158 1.00 0.00 H new ATOM 0 HG SER A 46 -4.218 2.205 12.310 1.00 0.00 H new ATOM 653 N ALA A 47 -2.767 1.765 7.943 1.00 0.00 N ATOM 654 CA ALA A 47 -2.150 1.846 6.592 1.00 0.00 C ATOM 655 C ALA A 47 -3.053 1.228 5.533 1.00 0.00 C ATOM 656 O ALA A 47 -3.148 1.756 4.437 1.00 0.00 O ATOM 657 CB ALA A 47 -0.830 1.129 6.666 1.00 0.00 C ATOM 0 H ALA A 47 -2.202 1.300 8.653 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.005 2.886 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.342 1.164 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.195 1.612 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.996 0.090 6.951 1.00 0.00 H new ATOM 663 N CYS A 48 -3.680 0.134 5.894 1.00 0.00 N ATOM 664 CA CYS A 48 -4.596 -0.562 4.945 1.00 0.00 C ATOM 665 C CYS A 48 -5.702 0.403 4.480 1.00 0.00 C ATOM 666 O CYS A 48 -6.105 0.379 3.328 1.00 0.00 O ATOM 667 CB CYS A 48 -5.165 -1.776 5.664 1.00 0.00 C ATOM 668 SG CYS A 48 -5.630 -3.147 4.580 1.00 0.00 S ATOM 0 H CYS A 48 -3.594 -0.306 6.810 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.066 -0.890 4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.428 -2.133 6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.042 -1.467 6.233 1.00 0.00 H new ATOM 673 N ASN A 49 -6.156 1.242 5.381 1.00 0.00 N ATOM 674 CA ASN A 49 -7.227 2.228 5.031 1.00 0.00 C ATOM 675 C ASN A 49 -6.710 3.214 4.004 1.00 0.00 C ATOM 676 O ASN A 49 -7.390 3.473 3.035 1.00 0.00 O ATOM 677 CB ASN A 49 -7.662 3.011 6.282 1.00 0.00 C ATOM 678 CG ASN A 49 -8.973 2.474 6.659 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.011 3.053 6.422 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.965 1.346 7.247 1.00 0.00 N ATOM 0 H ASN A 49 -5.830 1.286 6.346 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.076 1.678 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.942 2.886 7.091 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.723 4.079 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.844 0.912 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.080 0.876 7.437 1.00 0.00 H new ATOM 687 N CYS A 50 -5.530 3.713 4.231 1.00 0.00 N ATOM 688 CA CYS A 50 -4.916 4.696 3.291 1.00 0.00 C ATOM 689 C CYS A 50 -4.991 4.246 1.831 1.00 0.00 C ATOM 690 O CYS A 50 -5.598 4.882 0.985 1.00 0.00 O ATOM 691 CB CYS A 50 -3.471 4.899 3.746 1.00 0.00 C ATOM 692 SG CYS A 50 -3.360 5.417 5.472 1.00 0.00 S ATOM 0 H CYS A 50 -4.954 3.480 5.040 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.471 5.634 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.917 3.970 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.995 5.648 3.113 1.00 0.00 H new ATOM 697 N LEU A 51 -4.402 3.117 1.559 1.00 0.00 N ATOM 698 CA LEU A 51 -4.408 2.599 0.157 1.00 0.00 C ATOM 699 C LEU A 51 -5.828 2.322 -0.322 1.00 0.00 C ATOM 700 O LEU A 51 -6.152 2.609 -1.462 1.00 0.00 O ATOM 701 CB LEU A 51 -3.622 1.281 0.040 1.00 0.00 C ATOM 702 CG LEU A 51 -2.118 1.439 0.396 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.936 1.486 1.893 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.294 0.319 -0.186 1.00 0.00 C ATOM 0 H LEU A 51 -3.918 2.531 2.239 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.942 3.372 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.070 0.537 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.711 0.900 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.771 2.377 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.877 1.597 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.489 2.333 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.311 0.562 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.247 0.460 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.644 -0.634 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.394 0.320 -1.271 1.00 0.00 H new ATOM 716 N LYS A 52 -6.657 1.790 0.544 1.00 0.00 N ATOM 717 CA LYS A 52 -8.050 1.491 0.110 1.00 0.00 C ATOM 718 C LYS A 52 -8.838 2.781 -0.177 1.00 0.00 C ATOM 719 O LYS A 52 -9.414 2.903 -1.245 1.00 0.00 O ATOM 720 CB LYS A 52 -8.697 0.587 1.219 1.00 0.00 C ATOM 721 CG LYS A 52 -9.777 -0.329 0.516 1.00 0.00 C ATOM 722 CD LYS A 52 -9.952 -1.717 1.227 1.00 0.00 C ATOM 723 CE LYS A 52 -8.791 -2.714 0.865 1.00 0.00 C ATOM 724 NZ LYS A 52 -8.897 -3.988 1.665 1.00 0.00 N ATOM 0 H LYS A 52 -6.433 1.556 1.511 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.063 0.950 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.937 -0.023 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.160 1.201 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.735 0.191 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.489 -0.492 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.981 -1.570 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.908 -2.154 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.826 -2.946 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.828 -2.240 1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.010 -4.147 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.684 -3.909 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.071 -4.788 1.023 1.00 0.00 H new ATOM 738 N GLY A 53 -8.859 3.726 0.722 1.00 0.00 N ATOM 739 CA GLY A 53 -9.605 5.004 0.485 1.00 0.00 C ATOM 740 C GLY A 53 -9.070 5.633 -0.812 1.00 0.00 C ATOM 741 O GLY A 53 -9.831 6.141 -1.621 1.00 0.00 O ATOM 0 H GLY A 53 -8.386 3.670 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.675 4.811 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.468 5.686 1.324 1.00 0.00 H new ATOM 745 N ILE A 54 -7.774 5.568 -0.978 1.00 0.00 N ATOM 746 CA ILE A 54 -7.125 6.139 -2.200 1.00 0.00 C ATOM 747 C ILE A 54 -7.586 5.408 -3.468 1.00 0.00 C ATOM 748 O ILE A 54 -8.261 5.978 -4.300 1.00 0.00 O ATOM 749 CB ILE A 54 -5.568 6.017 -1.993 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.078 7.082 -0.960 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.819 6.151 -3.298 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.581 6.847 -0.553 1.00 0.00 C ATOM 0 H ILE A 54 -7.130 5.140 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.409 7.183 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.358 5.022 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.188 8.080 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.708 7.044 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.748 6.061 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.137 5.364 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.031 7.124 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.276 7.607 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.477 5.859 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.949 6.911 -1.439 1.00 0.00 H new ATOM 764 N ALA A 55 -7.212 4.162 -3.580 1.00 0.00 N ATOM 765 CA ALA A 55 -7.584 3.332 -4.763 1.00 0.00 C ATOM 766 C ALA A 55 -9.060 3.553 -5.127 1.00 0.00 C ATOM 767 O ALA A 55 -9.414 3.692 -6.279 1.00 0.00 O ATOM 768 CB ALA A 55 -7.329 1.893 -4.394 1.00 0.00 C ATOM 0 H ALA A 55 -6.650 3.673 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.993 3.610 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.589 1.250 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.275 1.761 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.938 1.625 -3.531 1.00 0.00 H new ATOM 774 N ARG A 56 -9.885 3.599 -4.115 1.00 0.00 N ATOM 775 CA ARG A 56 -11.351 3.806 -4.319 1.00 0.00 C ATOM 776 C ARG A 56 -11.697 5.030 -5.173 1.00 0.00 C ATOM 777 O ARG A 56 -12.725 5.068 -5.823 1.00 0.00 O ATOM 778 CB ARG A 56 -11.993 3.911 -2.895 1.00 0.00 C ATOM 779 CG ARG A 56 -13.544 4.078 -2.946 1.00 0.00 C ATOM 780 CD ARG A 56 -14.001 5.546 -2.670 1.00 0.00 C ATOM 781 NE ARG A 56 -13.417 6.479 -3.690 1.00 0.00 N ATOM 782 CZ ARG A 56 -12.874 7.611 -3.341 1.00 0.00 C ATOM 783 NH1 ARG A 56 -11.757 7.657 -2.676 1.00 0.00 N ATOM 784 NH2 ARG A 56 -13.521 8.671 -3.705 1.00 0.00 N ATOM 0 H ARG A 56 -9.602 3.500 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.750 2.964 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.746 3.017 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.557 4.758 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.907 3.767 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.001 3.415 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.089 5.605 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.688 5.849 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.446 6.222 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.283 6.792 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.355 8.558 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.392 8.582 -4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.160 9.595 -3.469 1.00 0.00 H new ATOM 798 N GLY A 57 -10.860 6.027 -5.148 1.00 0.00 N ATOM 799 CA GLY A 57 -11.121 7.268 -5.946 1.00 0.00 C ATOM 800 C GLY A 57 -10.592 7.110 -7.372 1.00 0.00 C ATOM 801 O GLY A 57 -11.055 7.769 -8.288 1.00 0.00 O ATOM 0 H GLY A 57 -9.996 6.041 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.191 7.474 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.643 8.122 -5.467 1.00 0.00 H new ATOM 805 N ILE A 58 -9.639 6.236 -7.538 1.00 0.00 N ATOM 806 CA ILE A 58 -9.054 6.019 -8.900 1.00 0.00 C ATOM 807 C ILE A 58 -10.020 5.101 -9.673 1.00 0.00 C ATOM 808 O ILE A 58 -10.559 4.167 -9.111 1.00 0.00 O ATOM 809 CB ILE A 58 -7.663 5.354 -8.714 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.831 6.218 -7.704 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.939 5.245 -10.036 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.435 5.613 -7.452 1.00 0.00 C ATOM 0 H ILE A 58 -9.238 5.662 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.925 6.947 -9.457 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.790 4.344 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.724 7.231 -8.093 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.370 6.295 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.967 4.776 -9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.528 4.640 -10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.799 6.241 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.889 6.240 -6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.542 4.610 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.886 5.561 -8.392 1.00 0.00 H new ATOM 824 N HIS A 59 -10.226 5.390 -10.933 1.00 0.00 N ATOM 825 CA HIS A 59 -11.148 4.546 -11.764 1.00 0.00 C ATOM 826 C HIS A 59 -10.309 3.529 -12.556 1.00 0.00 C ATOM 827 O HIS A 59 -10.566 2.341 -12.544 1.00 0.00 O ATOM 828 CB HIS A 59 -11.938 5.415 -12.783 1.00 0.00 C ATOM 829 CG HIS A 59 -13.108 6.209 -12.175 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.060 7.092 -11.229 1.00 0.00 N ATOM 831 CD2 HIS A 59 -14.454 6.154 -12.512 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.251 7.550 -10.997 1.00 0.00 C ATOM 833 NE2 HIS A 59 -15.148 6.993 -11.771 1.00 0.00 N ATOM 0 H HIS A 59 -9.797 6.174 -11.425 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.853 4.049 -11.097 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.248 6.114 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.325 4.768 -13.570 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.873 5.514 -13.274 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.476 8.301 -10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -16.153 7.168 -11.795 1.00 0.00 H new ATOM 841 N ASN A 60 -9.301 4.012 -13.231 1.00 0.00 N ATOM 842 CA ASN A 60 -8.437 3.093 -14.034 1.00 0.00 C ATOM 843 C ASN A 60 -7.310 2.516 -13.168 1.00 0.00 C ATOM 844 O ASN A 60 -6.160 2.872 -13.315 1.00 0.00 O ATOM 845 CB ASN A 60 -7.850 3.887 -15.214 1.00 0.00 C ATOM 846 CG ASN A 60 -7.084 2.940 -16.139 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.661 2.267 -16.965 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.792 2.853 -16.037 1.00 0.00 N ATOM 0 H ASN A 60 -9.038 4.997 -13.263 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.033 2.258 -14.404 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.649 4.383 -15.765 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.185 4.668 -14.845 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.273 2.223 -16.649 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.296 3.415 -15.345 1.00 0.00 H new ATOM 855 N LEU A 61 -7.653 1.630 -12.274 1.00 0.00 N ATOM 856 CA LEU A 61 -6.607 1.019 -11.397 1.00 0.00 C ATOM 857 C LEU A 61 -5.967 -0.179 -12.095 1.00 0.00 C ATOM 858 O LEU A 61 -6.653 -1.016 -12.654 1.00 0.00 O ATOM 859 CB LEU A 61 -7.249 0.554 -10.082 1.00 0.00 C ATOM 860 CG LEU A 61 -6.808 1.554 -9.019 1.00 0.00 C ATOM 861 CD1 LEU A 61 -7.753 1.459 -7.849 1.00 0.00 C ATOM 862 CD2 LEU A 61 -5.408 1.222 -8.559 1.00 0.00 C ATOM 0 H LEU A 61 -8.605 1.302 -12.111 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.839 1.765 -11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.335 0.529 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.926 -0.455 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.819 2.563 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.451 2.169 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.766 1.691 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.727 0.448 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.095 1.938 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.392 0.217 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.725 1.271 -9.407 1.00 0.00 H new ATOM 874 N ASN A 62 -4.657 -0.243 -12.052 1.00 0.00 N ATOM 875 CA ASN A 62 -3.944 -1.392 -12.715 1.00 0.00 C ATOM 876 C ASN A 62 -3.475 -2.380 -11.641 1.00 0.00 C ATOM 877 O ASN A 62 -2.668 -2.035 -10.801 1.00 0.00 O ATOM 878 CB ASN A 62 -2.690 -0.892 -13.505 1.00 0.00 C ATOM 879 CG ASN A 62 -2.029 -2.001 -14.338 1.00 0.00 C ATOM 880 OD1 ASN A 62 -2.706 -2.819 -14.923 1.00 0.00 O ATOM 881 ND2 ASN A 62 -0.732 -2.076 -14.438 1.00 0.00 N ATOM 0 H ASN A 62 -4.053 0.439 -11.594 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.636 -1.870 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.984 -0.075 -14.164 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.961 -0.488 -12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.306 -2.813 -15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.143 -1.398 -13.954 1.00 0.00 H new ATOM 888 N GLU A 63 -3.962 -3.592 -11.702 1.00 0.00 N ATOM 889 CA GLU A 63 -3.567 -4.636 -10.693 1.00 0.00 C ATOM 890 C GLU A 63 -2.161 -5.167 -11.015 1.00 0.00 C ATOM 891 O GLU A 63 -1.379 -5.431 -10.115 1.00 0.00 O ATOM 892 CB GLU A 63 -4.621 -5.810 -10.722 1.00 0.00 C ATOM 893 CG GLU A 63 -4.359 -6.845 -9.563 1.00 0.00 C ATOM 894 CD GLU A 63 -5.482 -7.899 -9.448 1.00 0.00 C ATOM 895 OE1 GLU A 63 -6.584 -7.459 -9.170 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.166 -9.067 -9.635 1.00 0.00 O ATOM 0 H GLU A 63 -4.622 -3.911 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.550 -4.197 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.627 -5.401 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.574 -6.319 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.408 -7.349 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.267 -6.311 -8.617 1.00 0.00 H new ATOM 903 N ASP A 64 -1.880 -5.275 -12.282 1.00 0.00 N ATOM 904 CA ASP A 64 -0.553 -5.782 -12.739 1.00 0.00 C ATOM 905 C ASP A 64 0.600 -5.025 -12.076 1.00 0.00 C ATOM 906 O ASP A 64 1.541 -5.626 -11.601 1.00 0.00 O ATOM 907 CB ASP A 64 -0.573 -5.648 -14.275 1.00 0.00 C ATOM 908 CG ASP A 64 0.829 -5.594 -14.860 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.440 -6.645 -14.915 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.169 -4.477 -15.206 1.00 0.00 O ATOM 0 H ASP A 64 -2.523 -5.030 -13.035 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.385 -6.820 -12.450 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.113 -6.491 -14.705 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.117 -4.745 -14.553 1.00 0.00 H new ATOM 915 N ASN A 65 0.522 -3.718 -12.043 1.00 0.00 N ATOM 916 CA ASN A 65 1.635 -2.949 -11.401 1.00 0.00 C ATOM 917 C ASN A 65 1.478 -3.011 -9.882 1.00 0.00 C ATOM 918 O ASN A 65 2.440 -3.260 -9.182 1.00 0.00 O ATOM 919 CB ASN A 65 1.631 -1.493 -11.890 1.00 0.00 C ATOM 920 CG ASN A 65 2.357 -1.427 -13.248 1.00 0.00 C ATOM 921 OD1 ASN A 65 3.254 -2.196 -13.545 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.960 -0.487 -14.060 1.00 0.00 N ATOM 0 H ASN A 65 -0.243 -3.160 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 65 2.591 -3.393 -11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.608 -1.131 -11.990 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.128 -0.849 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.403 -0.380 -14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.206 0.142 -13.783 1.00 0.00 H new ATOM 929 N ALA A 66 0.292 -2.791 -9.374 1.00 0.00 N ATOM 930 CA ALA A 66 0.069 -2.858 -7.880 1.00 0.00 C ATOM 931 C ALA A 66 0.724 -4.124 -7.296 1.00 0.00 C ATOM 932 O ALA A 66 1.376 -4.113 -6.268 1.00 0.00 O ATOM 933 CB ALA A 66 -1.404 -2.946 -7.556 1.00 0.00 C ATOM 0 H ALA A 66 -0.538 -2.567 -9.922 1.00 0.00 H new ATOM 0 HA ALA A 66 0.504 -1.954 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.537 -2.993 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.916 -2.066 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.824 -3.842 -8.012 1.00 0.00 H new ATOM 939 N ARG A 67 0.532 -5.212 -7.987 1.00 0.00 N ATOM 940 CA ARG A 67 1.100 -6.508 -7.539 1.00 0.00 C ATOM 941 C ARG A 67 2.596 -6.598 -7.863 1.00 0.00 C ATOM 942 O ARG A 67 3.317 -7.351 -7.235 1.00 0.00 O ATOM 943 CB ARG A 67 0.242 -7.546 -8.248 1.00 0.00 C ATOM 944 CG ARG A 67 0.561 -8.962 -7.780 1.00 0.00 C ATOM 945 CD ARG A 67 -0.682 -9.811 -8.101 1.00 0.00 C ATOM 946 NE ARG A 67 -0.391 -11.268 -7.883 1.00 0.00 N ATOM 947 CZ ARG A 67 -0.406 -12.049 -8.917 1.00 0.00 C ATOM 948 NH1 ARG A 67 -1.454 -11.983 -9.686 1.00 0.00 N ATOM 949 NH2 ARG A 67 0.613 -12.833 -9.116 1.00 0.00 N ATOM 0 H ARG A 67 -0.002 -5.256 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 67 1.068 -6.654 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.811 -7.332 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.401 -7.475 -9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.441 -9.352 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.779 -8.979 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.515 -9.501 -7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.987 -9.645 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.188 -11.631 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.212 -11.338 -9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.517 -12.576 -10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.399 -12.823 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.626 -13.458 -9.922 1.00 0.00 H new ATOM 963 N SER A 68 3.030 -5.822 -8.820 1.00 0.00 N ATOM 964 CA SER A 68 4.474 -5.861 -9.192 1.00 0.00 C ATOM 965 C SER A 68 5.336 -4.958 -8.307 1.00 0.00 C ATOM 966 O SER A 68 6.536 -4.938 -8.468 1.00 0.00 O ATOM 967 CB SER A 68 4.570 -5.470 -10.654 1.00 0.00 C ATOM 968 OG SER A 68 4.026 -6.622 -11.276 1.00 0.00 O ATOM 0 H SER A 68 2.455 -5.170 -9.354 1.00 0.00 H new ATOM 0 HA SER A 68 4.866 -6.866 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.998 -4.570 -10.879 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.598 -5.280 -10.964 1.00 0.00 H new ATOM 0 HG SER A 68 3.157 -6.401 -11.671 1.00 0.00 H new ATOM 974 N ILE A 69 4.746 -4.238 -7.393 1.00 0.00 N ATOM 975 CA ILE A 69 5.553 -3.349 -6.491 1.00 0.00 C ATOM 976 C ILE A 69 6.200 -4.225 -5.382 1.00 0.00 C ATOM 977 O ILE A 69 7.412 -4.274 -5.308 1.00 0.00 O ATOM 978 CB ILE A 69 4.604 -2.280 -5.888 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.100 -1.384 -7.014 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.343 -1.464 -4.854 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.873 -0.603 -6.538 1.00 0.00 C ATOM 0 H ILE A 69 3.740 -4.223 -7.227 1.00 0.00 H new ATOM 0 HA ILE A 69 6.349 -2.842 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 69 3.757 -2.763 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.885 -0.694 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.844 -1.987 -7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.672 -0.715 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.698 -2.120 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.193 -0.968 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.514 0.037 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.086 -1.301 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.144 0.012 -5.680 1.00 0.00 H new ATOM 993 N PRO A 70 5.417 -4.912 -4.570 1.00 0.00 N ATOM 994 CA PRO A 70 5.984 -5.743 -3.472 1.00 0.00 C ATOM 995 C PRO A 70 7.013 -6.835 -3.858 1.00 0.00 C ATOM 996 O PRO A 70 7.996 -6.946 -3.145 1.00 0.00 O ATOM 997 CB PRO A 70 4.729 -6.314 -2.740 1.00 0.00 C ATOM 998 CG PRO A 70 3.605 -6.263 -3.794 1.00 0.00 C ATOM 999 CD PRO A 70 3.916 -4.981 -4.580 1.00 0.00 C ATOM 0 HA PRO A 70 6.618 -5.119 -2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.902 -7.333 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.477 -5.718 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.617 -7.142 -4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.620 -6.221 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.524 -5.029 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.472 -4.104 -4.108 1.00 0.00 H new ATOM 1007 N PRO A 71 6.821 -7.600 -4.919 1.00 0.00 N ATOM 1008 CA PRO A 71 7.776 -8.686 -5.289 1.00 0.00 C ATOM 1009 C PRO A 71 9.209 -8.194 -5.555 1.00 0.00 C ATOM 1010 O PRO A 71 10.094 -8.437 -4.763 1.00 0.00 O ATOM 1011 CB PRO A 71 7.118 -9.360 -6.522 1.00 0.00 C ATOM 1012 CG PRO A 71 6.286 -8.209 -7.133 1.00 0.00 C ATOM 1013 CD PRO A 71 5.696 -7.544 -5.891 1.00 0.00 C ATOM 0 HA PRO A 71 7.927 -9.386 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.863 -9.738 -7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.492 -10.205 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.905 -7.520 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.511 -8.579 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.385 -6.519 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.819 -8.077 -5.525 1.00 0.00 H new ATOM 1021 N LYS A 72 9.405 -7.518 -6.662 1.00 0.00 N ATOM 1022 CA LYS A 72 10.769 -6.995 -7.010 1.00 0.00 C ATOM 1023 C LYS A 72 11.425 -6.255 -5.840 1.00 0.00 C ATOM 1024 O LYS A 72 12.632 -6.244 -5.710 1.00 0.00 O ATOM 1025 CB LYS A 72 10.690 -6.016 -8.245 1.00 0.00 C ATOM 1026 CG LYS A 72 9.466 -5.058 -8.203 1.00 0.00 C ATOM 1027 CD LYS A 72 9.552 -3.888 -9.281 1.00 0.00 C ATOM 1028 CE LYS A 72 9.191 -4.256 -10.766 1.00 0.00 C ATOM 1029 NZ LYS A 72 7.770 -4.713 -10.862 1.00 0.00 N ATOM 0 H LYS A 72 8.677 -7.304 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 72 11.379 -7.864 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.604 -5.423 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.649 -6.604 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.556 -5.633 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.387 -4.622 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.890 -3.084 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.567 -3.490 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.345 -3.390 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.857 -5.041 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.740 -5.673 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.342 -4.718 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.238 -4.066 -11.478 1.00 0.00 H new ATOM 1043 N CYS A 73 10.599 -5.651 -5.037 1.00 0.00 N ATOM 1044 CA CYS A 73 11.094 -4.887 -3.857 1.00 0.00 C ATOM 1045 C CYS A 73 11.726 -5.794 -2.783 1.00 0.00 C ATOM 1046 O CYS A 73 12.870 -5.610 -2.413 1.00 0.00 O ATOM 1047 CB CYS A 73 9.876 -4.153 -3.373 1.00 0.00 C ATOM 1048 SG CYS A 73 10.043 -2.816 -2.178 1.00 0.00 S ATOM 0 H CYS A 73 9.585 -5.653 -5.148 1.00 0.00 H new ATOM 0 HA CYS A 73 11.908 -4.207 -4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.376 -3.743 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.203 -4.893 -2.939 1.00 0.00 H new ATOM 1053 N GLY A 74 10.950 -6.732 -2.300 1.00 0.00 N ATOM 1054 CA GLY A 74 11.472 -7.673 -1.254 1.00 0.00 C ATOM 1055 C GLY A 74 10.823 -7.466 0.109 1.00 0.00 C ATOM 1056 O GLY A 74 11.361 -7.895 1.111 1.00 0.00 O ATOM 0 H GLY A 74 9.982 -6.889 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.302 -8.699 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.550 -7.542 -1.161 1.00 0.00 H new ATOM 1060 N VAL A 75 9.685 -6.821 0.126 1.00 0.00 N ATOM 1061 CA VAL A 75 8.971 -6.572 1.412 1.00 0.00 C ATOM 1062 C VAL A 75 7.674 -7.352 1.473 1.00 0.00 C ATOM 1063 O VAL A 75 7.272 -7.767 2.538 1.00 0.00 O ATOM 1064 CB VAL A 75 8.708 -5.060 1.513 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.026 -4.328 1.495 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.851 -4.528 0.387 1.00 0.00 C ATOM 0 H VAL A 75 9.217 -6.454 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 75 9.580 -6.907 2.252 1.00 0.00 H new ATOM 0 HB VAL A 75 8.166 -4.895 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.847 -3.255 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.634 -4.652 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.551 -4.547 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.703 -3.456 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.347 -4.713 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.884 -5.031 0.397 1.00 0.00 H new ATOM 1076 N ASN A 76 7.052 -7.536 0.338 1.00 0.00 N ATOM 1077 CA ASN A 76 5.765 -8.302 0.306 1.00 0.00 C ATOM 1078 C ASN A 76 4.677 -7.686 1.212 1.00 0.00 C ATOM 1079 O ASN A 76 4.547 -8.070 2.359 1.00 0.00 O ATOM 1080 CB ASN A 76 6.047 -9.725 0.768 1.00 0.00 C ATOM 1081 CG ASN A 76 4.833 -10.570 0.405 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.725 -11.093 -0.684 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.894 -10.707 1.291 1.00 0.00 N ATOM 0 H ASN A 76 7.375 -7.192 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 76 5.385 -8.275 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.944 -10.114 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.226 -9.751 1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.062 -11.256 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.988 -10.266 2.206 1.00 0.00 H new ATOM 1090 N LEU A 77 3.894 -6.776 0.705 1.00 0.00 N ATOM 1091 CA LEU A 77 2.836 -6.157 1.570 1.00 0.00 C ATOM 1092 C LEU A 77 1.565 -6.995 1.530 1.00 0.00 C ATOM 1093 O LEU A 77 1.348 -7.693 0.558 1.00 0.00 O ATOM 1094 CB LEU A 77 2.486 -4.712 1.073 1.00 0.00 C ATOM 1095 CG LEU A 77 2.963 -3.664 2.097 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.468 -3.681 2.211 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.509 -2.277 1.710 1.00 0.00 C ATOM 0 H LEU A 77 3.934 -6.434 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 77 3.226 -6.112 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.958 -4.528 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.410 -4.622 0.925 1.00 0.00 H new ATOM 0 HG LEU A 77 2.522 -3.923 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.786 -2.934 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.797 -4.668 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.909 -3.453 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.860 -1.559 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.918 -2.020 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.420 -2.250 1.666 1.00 0.00 H new ATOM 1109 N PRO A 78 0.756 -6.902 2.565 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.532 -7.622 2.624 1.00 0.00 C ATOM 1111 C PRO A 78 -1.624 -6.810 1.913 1.00 0.00 C ATOM 1112 O PRO A 78 -2.745 -7.273 1.833 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.808 -7.803 4.128 1.00 0.00 C ATOM 1114 CG PRO A 78 0.463 -7.205 4.829 1.00 0.00 C ATOM 1115 CD PRO A 78 0.961 -6.146 3.833 1.00 0.00 C ATOM 0 HA PRO A 78 -0.512 -8.586 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.714 -7.279 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.946 -8.854 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.218 -6.763 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.218 -7.970 5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.380 -5.225 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.003 -5.872 3.996 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.296 -5.639 1.413 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.323 -4.807 0.712 1.00 0.00 C ATOM 1125 C TYR A 79 -1.601 -3.691 -0.058 1.00 0.00 C ATOM 1126 O TYR A 79 -0.662 -3.118 0.455 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.311 -4.220 1.784 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.485 -3.431 2.807 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -2.135 -2.136 2.527 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.041 -4.001 3.984 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.353 -1.426 3.398 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.254 -3.280 4.858 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.909 -1.983 4.554 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.103 -1.206 5.351 1.00 0.00 O ATOM 0 H TYR A 79 -0.364 -5.227 1.461 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.899 -5.401 0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.048 -3.573 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.861 -5.023 2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.478 -1.673 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.312 -5.019 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.085 -0.407 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.910 -3.732 5.777 1.00 0.00 H new ATOM 0 HH TYR A 79 0.151 -1.712 6.151 1.00 0.00 H new ATOM 1144 N THR A 80 -2.027 -3.427 -1.262 1.00 0.00 N ATOM 1145 CA THR A 80 -1.392 -2.357 -2.087 1.00 0.00 C ATOM 1146 C THR A 80 -2.520 -1.544 -2.718 1.00 0.00 C ATOM 1147 O THR A 80 -3.658 -1.658 -2.306 1.00 0.00 O ATOM 1148 CB THR A 80 -0.473 -3.062 -3.123 1.00 0.00 C ATOM 1149 OG1 THR A 80 0.100 -2.031 -3.928 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.255 -3.958 -4.049 1.00 0.00 C ATOM 0 H THR A 80 -2.799 -3.914 -1.717 1.00 0.00 H new ATOM 0 HA THR A 80 -0.772 -1.666 -1.516 1.00 0.00 H new ATOM 0 HB THR A 80 0.263 -3.665 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.692 -2.431 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.575 -4.431 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.765 -4.726 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.991 -3.366 -4.593 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.195 -0.760 -3.705 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.223 0.083 -4.372 1.00 0.00 C ATOM 1160 C ILE A 81 -4.077 -0.828 -5.279 1.00 0.00 C ATOM 1161 O ILE A 81 -3.961 -0.794 -6.487 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.438 1.189 -5.136 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.260 1.762 -4.241 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.372 2.312 -5.511 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -1.762 2.421 -2.916 1.00 0.00 C ATOM 0 H ILE A 81 -1.252 -0.666 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.920 0.568 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.012 0.747 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.569 0.954 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.700 2.499 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.817 3.083 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.166 1.927 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.809 2.739 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.909 2.793 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.430 3.249 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.298 1.681 -2.322 1.00 0.00 H new ATOM 1177 N SER A 82 -4.894 -1.643 -4.660 1.00 0.00 N ATOM 1178 CA SER A 82 -5.783 -2.577 -5.424 1.00 0.00 C ATOM 1179 C SER A 82 -6.865 -3.091 -4.470 1.00 0.00 C ATOM 1180 O SER A 82 -6.633 -3.167 -3.275 1.00 0.00 O ATOM 1181 CB SER A 82 -4.949 -3.769 -5.975 1.00 0.00 C ATOM 1182 OG SER A 82 -5.892 -4.576 -6.676 1.00 0.00 O ATOM 0 H SER A 82 -4.985 -1.703 -3.646 1.00 0.00 H new ATOM 0 HA SER A 82 -6.241 -2.059 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.154 -3.424 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.473 -4.326 -5.168 1.00 0.00 H new ATOM 0 HG SER A 82 -5.436 -5.355 -7.058 1.00 0.00 H new ATOM 1188 N LEU A 83 -8.015 -3.422 -5.001 1.00 0.00 N ATOM 1189 CA LEU A 83 -9.110 -3.934 -4.119 1.00 0.00 C ATOM 1190 C LEU A 83 -9.149 -5.466 -4.251 1.00 0.00 C ATOM 1191 O LEU A 83 -10.169 -6.054 -4.550 1.00 0.00 O ATOM 1192 CB LEU A 83 -10.461 -3.285 -4.555 1.00 0.00 C ATOM 1193 CG LEU A 83 -10.612 -1.840 -3.963 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -9.662 -0.865 -4.613 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -12.027 -1.353 -4.161 1.00 0.00 C ATOM 0 H LEU A 83 -8.242 -3.362 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.936 -3.674 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.513 -3.243 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.291 -3.907 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.373 -1.894 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.799 0.124 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.636 -1.195 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.864 -0.818 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.127 -0.349 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.259 -1.333 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.718 -2.025 -3.652 1.00 0.00 H new ATOM 1207 N ASN A 84 -8.009 -6.068 -4.013 1.00 0.00 N ATOM 1208 CA ASN A 84 -7.893 -7.567 -4.109 1.00 0.00 C ATOM 1209 C ASN A 84 -7.146 -8.110 -2.868 1.00 0.00 C ATOM 1210 O ASN A 84 -6.431 -9.084 -2.955 1.00 0.00 O ATOM 1211 CB ASN A 84 -7.116 -7.848 -5.443 1.00 0.00 C ATOM 1212 CG ASN A 84 -7.316 -9.261 -6.018 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -7.397 -10.243 -5.314 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -7.392 -9.422 -7.304 1.00 0.00 N ATOM 0 H ASN A 84 -7.147 -5.588 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.862 -8.067 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.429 -7.119 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.052 -7.689 -5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.517 -10.356 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.327 -8.614 -7.924 1.00 0.00 H new ATOM 1221 N ILE A 85 -7.294 -7.474 -1.737 1.00 0.00 N ATOM 1222 CA ILE A 85 -6.590 -7.950 -0.497 1.00 0.00 C ATOM 1223 C ILE A 85 -7.426 -7.679 0.762 1.00 0.00 C ATOM 1224 O ILE A 85 -8.229 -6.750 0.788 1.00 0.00 O ATOM 1225 CB ILE A 85 -5.196 -7.221 -0.397 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.183 -5.857 -1.178 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -4.103 -8.123 -0.908 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -6.107 -4.825 -0.511 1.00 0.00 C ATOM 0 H ILE A 85 -7.872 -6.643 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.445 -9.028 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.020 -6.995 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.166 -5.467 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.501 -6.022 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.144 -7.610 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.074 -9.034 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.299 -8.378 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.077 -3.892 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.128 -5.207 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.772 -4.643 0.510 1.00 0.00 H new ATOM 1240 N ASP A 86 -7.185 -8.456 1.789 1.00 0.00 N ATOM 1241 CA ASP A 86 -7.928 -8.309 3.070 1.00 0.00 C ATOM 1242 C ASP A 86 -7.032 -8.293 4.307 1.00 0.00 C ATOM 1243 O ASP A 86 -6.650 -9.330 4.812 1.00 0.00 O ATOM 1244 CB ASP A 86 -8.921 -9.472 3.162 1.00 0.00 C ATOM 1245 CG ASP A 86 -10.112 -9.246 2.227 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -10.876 -8.354 2.563 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -10.182 -9.967 1.244 1.00 0.00 O ATOM 0 H ASP A 86 -6.488 -9.201 1.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.428 -7.341 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.421 -10.405 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.273 -9.575 4.188 1.00 0.00 H new ATOM 1252 N CYS A 87 -6.700 -7.121 4.773 1.00 0.00 N ATOM 1253 CA CYS A 87 -5.837 -7.014 5.989 1.00 0.00 C ATOM 1254 C CYS A 87 -6.448 -7.775 7.169 1.00 0.00 C ATOM 1255 O CYS A 87 -5.847 -8.692 7.693 1.00 0.00 O ATOM 1256 CB CYS A 87 -5.688 -5.549 6.356 1.00 0.00 C ATOM 1257 SG CYS A 87 -4.506 -4.627 5.356 1.00 0.00 S ATOM 0 H CYS A 87 -6.988 -6.231 4.366 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.864 -7.454 5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.663 -5.069 6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -5.387 -5.481 7.401 1.00 0.00 H new ATOM 1262 N SER A 88 -7.625 -7.361 7.561 1.00 0.00 N ATOM 1263 CA SER A 88 -8.361 -8.001 8.709 1.00 0.00 C ATOM 1264 C SER A 88 -9.708 -7.301 8.876 1.00 0.00 C ATOM 1265 O SER A 88 -10.739 -7.936 8.909 1.00 0.00 O ATOM 1266 CB SER A 88 -7.689 -7.841 10.121 1.00 0.00 C ATOM 1267 OG SER A 88 -6.368 -8.374 10.118 1.00 0.00 O ATOM 0 H SER A 88 -8.125 -6.586 7.126 1.00 0.00 H new ATOM 0 HA SER A 88 -8.398 -9.058 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.660 -6.787 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.290 -8.351 10.874 1.00 0.00 H new ATOM 0 HG SER A 88 -6.220 -8.877 9.290 1.00 0.00 H new ATOM 1273 N ARG A 89 -9.659 -5.993 8.986 1.00 0.00 N ATOM 1274 CA ARG A 89 -10.924 -5.214 9.157 1.00 0.00 C ATOM 1275 C ARG A 89 -10.669 -3.772 8.686 1.00 0.00 C ATOM 1276 O ARG A 89 -11.106 -2.828 9.312 1.00 0.00 O ATOM 1277 CB ARG A 89 -11.331 -5.304 10.682 1.00 0.00 C ATOM 1278 CG ARG A 89 -12.882 -5.236 10.852 1.00 0.00 C ATOM 1279 CD ARG A 89 -13.405 -3.790 11.046 1.00 0.00 C ATOM 1280 NE ARG A 89 -12.955 -3.321 12.401 1.00 0.00 N ATOM 1281 CZ ARG A 89 -13.839 -3.044 13.308 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -14.694 -3.976 13.599 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -13.819 -1.870 13.859 1.00 0.00 N ATOM 0 H ARG A 89 -8.804 -5.437 8.965 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.749 -5.607 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.955 -6.234 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.865 -4.489 11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.358 -5.674 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.175 -5.841 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.017 -3.135 10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.492 -3.763 10.973 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.961 -3.221 12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.650 -4.876 13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.410 -3.809 14.306 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.117 -1.186 13.577 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.505 -1.631 14.575 1.00 0.00 H new ATOM 1297 N VAL A 90 -9.942 -3.666 7.610 1.00 0.00 N ATOM 1298 CA VAL A 90 -9.611 -2.343 7.032 1.00 0.00 C ATOM 1299 C VAL A 90 -10.907 -1.737 6.426 1.00 0.00 C ATOM 1300 O VAL A 90 -11.091 -0.591 6.804 1.00 0.00 O ATOM 1301 CB VAL A 90 -8.493 -2.552 5.950 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -8.822 -3.637 4.951 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -8.314 -1.251 5.209 1.00 0.00 C ATOM 1304 OXT VAL A 90 -11.589 -2.412 5.665 1.00 0.00 O ATOM 0 H VAL A 90 -9.557 -4.460 7.099 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.234 -1.649 7.783 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.586 -2.863 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.008 -3.729 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.954 -4.585 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.742 -3.381 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.541 -1.368 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.253 -0.972 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.018 -0.471 5.910 1.00 0.00 H new TER 1314 VAL A 90