USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 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 34 THR OG1 : rot 83:sc= -5.53! USER MOD Set 1.2: A 53 SER OG : rot -98:sc= -2.15! USER MOD Set 2.1: A 31 ASN : amide:sc= -1.62 K(o=-2.2,f=-7.3!) USER MOD Set 2.2: A 48 ASN : amide:sc= -0.59 K(o=-2.2,f=-4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc=-0.00499 X(o=-0.005,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-3.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.32 K(o=-1.3,f=0.4) USER MOD Single : A 14 MET CE :methyl 155:sc= -6.1! (180deg=-10.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 17 HIS : no HD1:sc= -6.97! C(o=-7!,f=-5.1!) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.051 (180deg=-0.46) USER MOD Single : A 28 HIS : no HE2:sc= -5.55! C(o=-5.5!,f=-10!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 60:sc= -5.9! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0141 (180deg=-0.237) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= 0.495 (180deg=0.00396) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.042) USER MOD Single : A 61 MET CE :methyl -155:sc= -13.5! (180deg=-17.9!) USER MOD Single : A 66 GLN : amide:sc= -5.22! C(o=-5.2!,f=-4.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.446 8.350 4.517 1.00 0.00 N ATOM 2 CA PRO A 1 -3.118 7.293 3.511 1.00 0.00 C ATOM 3 C PRO A 1 -3.697 5.950 3.963 1.00 0.00 C ATOM 4 O PRO A 1 -4.445 5.313 3.247 1.00 0.00 O ATOM 5 CB PRO A 1 -1.597 7.188 3.404 1.00 0.00 C ATOM 6 CG PRO A 1 -1.004 8.227 4.348 1.00 0.00 C ATOM 7 CD PRO A 1 -2.170 8.941 5.029 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.984 7.951 5.286 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.025 9.074 4.092 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.547 7.551 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.261 6.187 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.270 7.368 2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.360 7.751 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.387 8.938 3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.106 8.826 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.135 10.010 4.819 1.00 0.00 H new ATOM 17 N ILE A 2 -3.356 5.514 5.145 1.00 0.00 N ATOM 18 CA ILE A 2 -3.883 4.211 5.643 1.00 0.00 C ATOM 19 C ILE A 2 -5.375 4.352 5.960 1.00 0.00 C ATOM 20 O ILE A 2 -6.210 3.693 5.371 1.00 0.00 O ATOM 21 CB ILE A 2 -3.129 3.805 6.913 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.655 4.206 6.790 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.227 2.290 7.103 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.119 3.793 5.417 1.00 0.00 C ATOM 0 H ILE A 2 -2.734 6.004 5.788 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.743 3.447 4.878 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.572 4.311 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.549 5.283 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.072 3.728 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.690 2.001 8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.274 2.002 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.786 1.786 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.071 4.080 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.210 2.713 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.694 4.291 4.637 1.00 0.00 H new ATOM 36 N SER A 3 -5.716 5.208 6.885 1.00 0.00 N ATOM 37 CA SER A 3 -7.151 5.391 7.238 1.00 0.00 C ATOM 38 C SER A 3 -7.958 5.642 5.964 1.00 0.00 C ATOM 39 O SER A 3 -9.069 5.174 5.820 1.00 0.00 O ATOM 40 CB SER A 3 -7.297 6.584 8.183 1.00 0.00 C ATOM 41 OG SER A 3 -8.615 7.107 8.081 1.00 0.00 O ATOM 0 H SER A 3 -5.062 5.788 7.411 1.00 0.00 H new ATOM 0 HA SER A 3 -7.523 4.493 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.094 6.277 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.568 7.354 7.931 1.00 0.00 H new ATOM 0 HG SER A 3 -8.712 7.871 8.687 1.00 0.00 H new ATOM 47 N GLN A 4 -7.404 6.371 5.031 1.00 0.00 N ATOM 48 CA GLN A 4 -8.142 6.638 3.766 1.00 0.00 C ATOM 49 C GLN A 4 -8.392 5.311 3.051 1.00 0.00 C ATOM 50 O GLN A 4 -9.509 4.990 2.684 1.00 0.00 O ATOM 51 CB GLN A 4 -7.310 7.556 2.869 1.00 0.00 C ATOM 52 CG GLN A 4 -7.247 8.952 3.490 1.00 0.00 C ATOM 53 CD GLN A 4 -8.126 9.911 2.685 1.00 0.00 C ATOM 54 OE1 GLN A 4 -7.631 10.823 2.053 1.00 0.00 O ATOM 55 NE2 GLN A 4 -9.420 9.742 2.681 1.00 0.00 N ATOM 0 H GLN A 4 -6.476 6.791 5.092 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.092 7.124 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.304 7.153 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.752 7.608 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.584 8.916 4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.217 9.310 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.836 8.976 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.015 10.375 2.147 1.00 0.00 H new ATOM 64 N VAL A 5 -7.368 4.525 2.860 1.00 0.00 N ATOM 65 CA VAL A 5 -7.573 3.218 2.187 1.00 0.00 C ATOM 66 C VAL A 5 -8.641 2.461 2.952 1.00 0.00 C ATOM 67 O VAL A 5 -9.718 2.244 2.462 1.00 0.00 O ATOM 68 CB VAL A 5 -6.274 2.403 2.191 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.451 1.115 1.383 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.135 3.228 1.587 1.00 0.00 C ATOM 0 H VAL A 5 -6.409 4.731 3.139 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.875 3.380 1.152 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.030 2.148 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.521 0.547 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.248 0.516 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.711 1.364 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.217 2.641 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.385 3.497 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.991 4.134 2.175 1.00 0.00 H new ATOM 80 N HIS A 6 -8.355 2.073 4.162 1.00 0.00 N ATOM 81 CA HIS A 6 -9.365 1.342 4.967 1.00 0.00 C ATOM 82 C HIS A 6 -10.752 1.935 4.707 1.00 0.00 C ATOM 83 O HIS A 6 -11.739 1.229 4.621 1.00 0.00 O ATOM 84 CB HIS A 6 -9.017 1.504 6.442 1.00 0.00 C ATOM 85 CG HIS A 6 -7.757 0.741 6.750 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.749 -0.633 6.930 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.455 1.149 6.909 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.481 -1.000 7.185 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.651 0.047 7.184 1.00 0.00 N ATOM 0 H HIS A 6 -7.462 2.232 4.628 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.368 0.287 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.883 2.559 6.681 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.836 1.139 7.062 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.557 -1.253 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.108 2.169 6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.171 -2.018 7.368 1.00 0.00 H new ATOM 97 N GLU A 7 -10.822 3.232 4.576 1.00 0.00 N ATOM 98 CA GLU A 7 -12.132 3.896 4.326 1.00 0.00 C ATOM 99 C GLU A 7 -12.746 3.404 3.012 1.00 0.00 C ATOM 100 O GLU A 7 -13.808 2.822 3.002 1.00 0.00 O ATOM 101 CB GLU A 7 -11.925 5.409 4.255 1.00 0.00 C ATOM 102 CG GLU A 7 -12.427 6.052 5.548 1.00 0.00 C ATOM 103 CD GLU A 7 -13.525 7.066 5.223 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.188 8.151 4.779 1.00 0.00 O ATOM 105 OE2 GLU A 7 -14.683 6.740 5.423 1.00 0.00 O ATOM 0 H GLU A 7 -10.023 3.863 4.632 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.812 3.649 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.869 5.636 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.461 5.821 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.813 5.286 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.604 6.545 6.065 1.00 0.00 H new ATOM 112 N ILE A 8 -12.103 3.651 1.902 1.00 0.00 N ATOM 113 CA ILE A 8 -12.676 3.214 0.594 1.00 0.00 C ATOM 114 C ILE A 8 -12.670 1.687 0.481 1.00 0.00 C ATOM 115 O ILE A 8 -13.652 1.078 0.111 1.00 0.00 O ATOM 116 CB ILE A 8 -11.834 3.795 -0.544 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.360 3.422 -0.349 1.00 0.00 C ATOM 118 CG2 ILE A 8 -11.974 5.318 -0.557 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.043 2.111 -1.083 1.00 0.00 C ATOM 0 H ILE A 8 -11.207 4.136 1.844 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.704 3.570 0.530 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.185 3.386 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.722 4.222 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.142 3.314 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.374 5.732 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.020 5.586 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.628 5.723 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.993 1.857 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.669 1.311 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.242 2.233 -2.148 1.00 0.00 H new ATOM 131 N GLY A 9 -11.563 1.071 0.766 1.00 0.00 N ATOM 132 CA GLY A 9 -11.469 -0.399 0.645 1.00 0.00 C ATOM 133 C GLY A 9 -12.655 -1.043 1.356 1.00 0.00 C ATOM 134 O GLY A 9 -13.381 -1.827 0.786 1.00 0.00 O ATOM 0 H GLY A 9 -10.710 1.532 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.460 -0.689 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.534 -0.752 1.081 1.00 0.00 H new ATOM 138 N ILE A 10 -12.863 -0.723 2.602 1.00 0.00 N ATOM 139 CA ILE A 10 -14.009 -1.335 3.326 1.00 0.00 C ATOM 140 C ILE A 10 -15.325 -0.820 2.729 1.00 0.00 C ATOM 141 O ILE A 10 -16.288 -1.550 2.597 1.00 0.00 O ATOM 142 CB ILE A 10 -13.910 -0.979 4.822 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.463 -2.222 5.578 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.261 -0.505 5.379 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.441 -3.359 5.278 1.00 0.00 C ATOM 0 H ILE A 10 -12.296 -0.072 3.145 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.983 -2.420 3.221 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.195 -0.166 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.454 -2.503 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.433 -2.022 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.154 -0.263 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.588 0.381 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.001 -1.297 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.132 -4.256 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.442 -3.072 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.447 -3.561 4.207 1.00 0.00 H new ATOM 157 N LYS A 11 -15.374 0.433 2.386 1.00 0.00 N ATOM 158 CA LYS A 11 -16.623 1.005 1.818 1.00 0.00 C ATOM 159 C LYS A 11 -16.867 0.436 0.420 1.00 0.00 C ATOM 160 O LYS A 11 -17.913 0.629 -0.167 1.00 0.00 O ATOM 161 CB LYS A 11 -16.485 2.525 1.735 1.00 0.00 C ATOM 162 CG LYS A 11 -17.150 3.164 2.954 1.00 0.00 C ATOM 163 CD LYS A 11 -17.231 4.678 2.761 1.00 0.00 C ATOM 164 CE LYS A 11 -17.983 5.299 3.939 1.00 0.00 C ATOM 165 NZ LYS A 11 -19.370 5.647 3.515 1.00 0.00 N ATOM 0 H LYS A 11 -14.599 1.090 2.475 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.466 0.745 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.432 2.804 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.948 2.894 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.149 2.751 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.581 2.932 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.229 5.101 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.741 4.910 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.011 4.600 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.463 6.191 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.882 6.069 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.332 6.328 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.864 4.786 3.203 1.00 0.00 H new ATOM 179 N ARG A 12 -15.911 -0.266 -0.117 1.00 0.00 N ATOM 180 CA ARG A 12 -16.090 -0.848 -1.475 1.00 0.00 C ATOM 181 C ARG A 12 -15.826 -2.352 -1.413 1.00 0.00 C ATOM 182 O ARG A 12 -15.728 -3.019 -2.424 1.00 0.00 O ATOM 183 CB ARG A 12 -15.105 -0.194 -2.446 1.00 0.00 C ATOM 184 CG ARG A 12 -15.572 1.228 -2.766 1.00 0.00 C ATOM 185 CD ARG A 12 -14.914 1.702 -4.067 1.00 0.00 C ATOM 186 NE ARG A 12 -15.959 2.169 -5.027 1.00 0.00 N ATOM 187 CZ ARG A 12 -17.102 1.545 -5.112 1.00 0.00 C ATOM 188 NH1 ARG A 12 -17.171 0.382 -5.699 1.00 0.00 N ATOM 189 NH2 ARG A 12 -18.179 2.086 -4.610 1.00 0.00 N ATOM 0 H ARG A 12 -15.013 -0.462 0.325 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.108 -0.668 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.107 -0.171 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.037 -0.781 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.657 1.252 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.312 1.900 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.214 2.511 -3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.338 0.889 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.778 2.980 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.331 -0.041 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.065 -0.104 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.127 2.996 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.073 1.599 -4.676 1.00 0.00 H new ATOM 203 N ASN A 13 -15.706 -2.887 -0.229 1.00 0.00 N ATOM 204 CA ASN A 13 -15.443 -4.345 -0.085 1.00 0.00 C ATOM 205 C ASN A 13 -13.952 -4.622 -0.332 1.00 0.00 C ATOM 206 O ASN A 13 -13.471 -5.710 -0.085 1.00 0.00 O ATOM 207 CB ASN A 13 -16.341 -5.124 -1.074 1.00 0.00 C ATOM 208 CG ASN A 13 -15.507 -5.870 -2.126 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.006 -5.272 -3.058 1.00 0.00 O ATOM 210 ND2 ASN A 13 -15.340 -7.159 -2.012 1.00 0.00 N ATOM 0 H ASN A 13 -15.779 -2.373 0.649 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.683 -4.678 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.956 -5.836 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.021 -4.432 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.789 -7.665 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.761 -7.661 -1.230 1.00 0.00 H new ATOM 217 N MET A 14 -13.214 -3.653 -0.813 1.00 0.00 N ATOM 218 CA MET A 14 -11.770 -3.886 -1.061 1.00 0.00 C ATOM 219 C MET A 14 -11.021 -3.881 0.272 1.00 0.00 C ATOM 220 O MET A 14 -10.751 -2.842 0.838 1.00 0.00 O ATOM 221 CB MET A 14 -11.229 -2.773 -1.955 1.00 0.00 C ATOM 222 CG MET A 14 -11.357 -3.189 -3.422 1.00 0.00 C ATOM 223 SD MET A 14 -11.973 -1.793 -4.396 1.00 0.00 S ATOM 224 CE MET A 14 -11.032 -0.499 -3.550 1.00 0.00 C ATOM 0 H MET A 14 -13.552 -2.718 -1.042 1.00 0.00 H new ATOM 0 HA MET A 14 -11.630 -4.849 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.781 -1.850 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.185 -2.572 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.389 -3.514 -3.804 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.036 -4.037 -3.512 1.00 0.00 H new ATOM 0 HE1 MET A 14 -10.896 0.349 -4.221 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.575 -0.176 -2.662 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.057 -0.890 -3.257 1.00 0.00 H new ATOM 234 N THR A 15 -10.685 -5.032 0.783 1.00 0.00 N ATOM 235 CA THR A 15 -9.959 -5.075 2.083 1.00 0.00 C ATOM 236 C THR A 15 -8.724 -4.181 2.006 1.00 0.00 C ATOM 237 O THR A 15 -8.287 -3.796 0.941 1.00 0.00 O ATOM 238 CB THR A 15 -9.543 -6.515 2.410 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.953 -7.380 1.360 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.217 -6.937 3.717 1.00 0.00 C ATOM 0 H THR A 15 -10.880 -5.940 0.360 1.00 0.00 H new ATOM 0 HA THR A 15 -10.618 -4.715 2.873 1.00 0.00 H new ATOM 0 HB THR A 15 -8.460 -6.573 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.685 -8.299 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.929 -7.960 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.903 -6.270 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.300 -6.882 3.602 1.00 0.00 H new ATOM 248 N VAL A 16 -8.163 -3.843 3.133 1.00 0.00 N ATOM 249 CA VAL A 16 -6.956 -2.972 3.142 1.00 0.00 C ATOM 250 C VAL A 16 -5.926 -3.577 4.085 1.00 0.00 C ATOM 251 O VAL A 16 -5.938 -3.316 5.272 1.00 0.00 O ATOM 252 CB VAL A 16 -7.336 -1.580 3.650 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.066 -0.771 3.936 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.172 -0.866 2.589 1.00 0.00 C ATOM 0 H VAL A 16 -8.491 -4.135 4.054 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.548 -2.894 2.134 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.915 -1.673 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.340 0.220 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.472 -1.282 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.482 -0.675 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.445 0.126 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.592 -0.773 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.076 -1.441 2.391 1.00 0.00 H new ATOM 264 N HIS A 17 -5.038 -4.390 3.589 1.00 0.00 N ATOM 265 CA HIS A 17 -4.031 -4.993 4.522 1.00 0.00 C ATOM 266 C HIS A 17 -2.624 -4.481 4.201 1.00 0.00 C ATOM 267 O HIS A 17 -1.940 -4.994 3.339 1.00 0.00 O ATOM 268 CB HIS A 17 -4.070 -6.520 4.433 1.00 0.00 C ATOM 269 CG HIS A 17 -5.366 -7.016 5.022 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.914 -6.462 6.167 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.239 -8.006 4.633 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.064 -7.112 6.426 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.308 -8.062 5.521 1.00 0.00 N ATOM 0 H HIS A 17 -4.960 -4.661 2.609 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.284 -4.694 5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.983 -6.838 3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.224 -6.950 4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.113 -8.643 3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.710 -6.892 7.263 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.108 -8.694 5.488 1.00 0.00 H new ATOM 281 N PHE A 18 -2.196 -3.465 4.900 1.00 0.00 N ATOM 282 CA PHE A 18 -0.842 -2.892 4.663 1.00 0.00 C ATOM 283 C PHE A 18 0.220 -3.721 5.391 1.00 0.00 C ATOM 284 O PHE A 18 0.207 -3.842 6.601 1.00 0.00 O ATOM 285 CB PHE A 18 -0.816 -1.458 5.191 1.00 0.00 C ATOM 286 CG PHE A 18 -1.557 -0.575 4.224 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.944 -0.200 3.030 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.860 -0.144 4.511 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.626 0.606 2.120 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.542 0.666 3.598 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.923 1.041 2.402 1.00 0.00 C ATOM 0 H PHE A 18 -2.734 -3.003 5.633 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.625 -2.905 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.278 -1.410 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.213 -1.115 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.059 -0.534 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.336 -0.437 5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.150 0.895 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.545 1.001 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.448 1.667 1.696 1.00 0.00 H new ATOM 301 N LYS A 19 1.145 -4.284 4.663 1.00 0.00 N ATOM 302 CA LYS A 19 2.214 -5.096 5.304 1.00 0.00 C ATOM 303 C LYS A 19 3.480 -5.024 4.445 1.00 0.00 C ATOM 304 O LYS A 19 3.498 -5.477 3.319 1.00 0.00 O ATOM 305 CB LYS A 19 1.754 -6.552 5.414 1.00 0.00 C ATOM 306 CG LYS A 19 2.477 -7.231 6.579 1.00 0.00 C ATOM 307 CD LYS A 19 2.482 -8.746 6.363 1.00 0.00 C ATOM 308 CE LYS A 19 1.109 -9.317 6.722 1.00 0.00 C ATOM 309 NZ LYS A 19 0.924 -9.271 8.200 1.00 0.00 N ATOM 0 H LYS A 19 1.205 -4.215 3.647 1.00 0.00 H new ATOM 0 HA LYS A 19 2.423 -4.708 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.676 -6.593 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.963 -7.081 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.499 -6.860 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.982 -6.989 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.723 -8.975 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.253 -9.209 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.324 -8.744 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.026 -10.344 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.227 -9.989 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.832 -9.464 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.584 -8.328 8.478 1.00 0.00 H new ATOM 323 N VAL A 20 4.539 -4.462 4.962 1.00 0.00 N ATOM 324 CA VAL A 20 5.792 -4.377 4.161 1.00 0.00 C ATOM 325 C VAL A 20 6.491 -5.730 4.204 1.00 0.00 C ATOM 326 O VAL A 20 6.833 -6.235 5.254 1.00 0.00 O ATOM 327 CB VAL A 20 6.699 -3.289 4.736 1.00 0.00 C ATOM 328 CG1 VAL A 20 8.017 -3.258 3.958 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.997 -1.933 4.605 1.00 0.00 C ATOM 0 H VAL A 20 4.590 -4.061 5.898 1.00 0.00 H new ATOM 0 HA VAL A 20 5.561 -4.121 3.127 1.00 0.00 H new ATOM 0 HB VAL A 20 6.905 -3.498 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.663 -2.482 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.512 -4.225 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.815 -3.044 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.637 -1.151 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.797 -1.727 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.056 -1.956 5.155 1.00 0.00 H new ATOM 339 N LEU A 21 6.669 -6.338 3.065 1.00 0.00 N ATOM 340 CA LEU A 21 7.305 -7.681 3.033 1.00 0.00 C ATOM 341 C LEU A 21 8.635 -7.639 2.281 1.00 0.00 C ATOM 342 O LEU A 21 9.288 -8.652 2.117 1.00 0.00 O ATOM 343 CB LEU A 21 6.363 -8.649 2.326 1.00 0.00 C ATOM 344 CG LEU A 21 5.670 -7.936 1.174 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.399 -8.925 0.039 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.356 -7.379 1.695 1.00 0.00 C ATOM 0 H LEU A 21 6.401 -5.962 2.156 1.00 0.00 H new ATOM 0 HA LEU A 21 7.497 -8.005 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.921 -9.508 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.623 -9.031 3.029 1.00 0.00 H new ATOM 0 HG LEU A 21 6.299 -7.133 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.903 -8.409 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.342 -9.343 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.758 -9.729 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.836 -6.861 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.735 -8.196 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.554 -6.680 2.508 1.00 0.00 H new ATOM 358 N ARG A 22 9.049 -6.497 1.808 1.00 0.00 N ATOM 359 CA ARG A 22 10.340 -6.453 1.060 1.00 0.00 C ATOM 360 C ARG A 22 10.984 -5.068 1.167 1.00 0.00 C ATOM 361 O ARG A 22 10.345 -4.095 1.516 1.00 0.00 O ATOM 362 CB ARG A 22 10.081 -6.781 -0.413 1.00 0.00 C ATOM 363 CG ARG A 22 8.930 -7.785 -0.520 1.00 0.00 C ATOM 364 CD ARG A 22 8.545 -7.972 -1.989 1.00 0.00 C ATOM 365 NE ARG A 22 8.761 -9.393 -2.385 1.00 0.00 N ATOM 366 CZ ARG A 22 8.212 -9.857 -3.475 1.00 0.00 C ATOM 367 NH1 ARG A 22 6.937 -9.681 -3.689 1.00 0.00 N ATOM 368 NH2 ARG A 22 8.939 -10.500 -4.349 1.00 0.00 N ATOM 0 H ARG A 22 8.561 -5.606 1.903 1.00 0.00 H new ATOM 0 HA ARG A 22 11.020 -7.186 1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.836 -5.871 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.981 -7.194 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.226 -8.740 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.071 -7.430 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.501 -7.696 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.143 -7.313 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 22 9.337 -10.002 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.369 -9.181 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.508 -10.043 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.935 -10.640 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.511 -10.863 -5.201 1.00 0.00 H new ATOM 382 N GLU A 23 12.252 -4.981 0.860 1.00 0.00 N ATOM 383 CA GLU A 23 12.962 -3.671 0.928 1.00 0.00 C ATOM 384 C GLU A 23 13.549 -3.356 -0.452 1.00 0.00 C ATOM 385 O GLU A 23 13.160 -3.936 -1.446 1.00 0.00 O ATOM 386 CB GLU A 23 14.097 -3.739 1.959 1.00 0.00 C ATOM 387 CG GLU A 23 13.824 -4.857 2.971 1.00 0.00 C ATOM 388 CD GLU A 23 15.082 -5.109 3.805 1.00 0.00 C ATOM 389 OE1 GLU A 23 15.733 -4.143 4.166 1.00 0.00 O ATOM 390 OE2 GLU A 23 15.373 -6.265 4.067 1.00 0.00 O ATOM 0 H GLU A 23 12.830 -5.768 0.563 1.00 0.00 H new ATOM 0 HA GLU A 23 12.260 -2.892 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.046 -3.919 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.186 -2.784 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.994 -4.579 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.531 -5.769 2.451 1.00 0.00 H new ATOM 397 N GLU A 24 14.486 -2.447 -0.526 1.00 0.00 N ATOM 398 CA GLU A 24 15.089 -2.111 -1.849 1.00 0.00 C ATOM 399 C GLU A 24 16.585 -1.831 -1.678 1.00 0.00 C ATOM 400 O GLU A 24 16.982 -0.781 -1.210 1.00 0.00 O ATOM 401 CB GLU A 24 14.402 -0.874 -2.430 1.00 0.00 C ATOM 402 CG GLU A 24 13.434 -1.298 -3.537 1.00 0.00 C ATOM 403 CD GLU A 24 13.974 -0.839 -4.893 1.00 0.00 C ATOM 404 OE1 GLU A 24 14.971 -1.392 -5.329 1.00 0.00 O ATOM 405 OE2 GLU A 24 13.383 0.057 -5.471 1.00 0.00 O ATOM 0 H GLU A 24 14.858 -1.926 0.268 1.00 0.00 H new ATOM 0 HA GLU A 24 14.953 -2.953 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.863 -0.342 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.147 -0.185 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.310 -2.381 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.450 -0.864 -3.360 1.00 0.00 H new ATOM 412 N GLY A 25 17.418 -2.760 -2.061 1.00 0.00 N ATOM 413 CA GLY A 25 18.889 -2.549 -1.933 1.00 0.00 C ATOM 414 C GLY A 25 19.253 -2.267 -0.470 1.00 0.00 C ATOM 415 O GLY A 25 18.408 -1.892 0.317 1.00 0.00 O ATOM 0 H GLY A 25 17.143 -3.658 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.423 -3.431 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.201 -1.715 -2.561 1.00 0.00 H new ATOM 419 N PRO A 26 20.512 -2.456 -0.156 1.00 0.00 N ATOM 420 CA PRO A 26 21.030 -2.227 1.206 1.00 0.00 C ATOM 421 C PRO A 26 20.827 -0.770 1.613 1.00 0.00 C ATOM 422 O PRO A 26 20.037 -0.459 2.482 1.00 0.00 O ATOM 423 CB PRO A 26 22.528 -2.554 1.117 1.00 0.00 C ATOM 424 CG PRO A 26 22.829 -2.997 -0.336 1.00 0.00 C ATOM 425 CD PRO A 26 21.518 -2.915 -1.133 1.00 0.00 C ATOM 0 HA PRO A 26 20.519 -2.838 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.126 -1.682 1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.789 -3.345 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 26 23.588 -2.354 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 26 23.223 -4.013 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 26 21.605 -2.219 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 26 21.249 -3.884 -1.553 1.00 0.00 H new ATOM 433 N ALA A 27 21.543 0.119 0.995 1.00 0.00 N ATOM 434 CA ALA A 27 21.409 1.557 1.345 1.00 0.00 C ATOM 435 C ALA A 27 20.967 2.341 0.110 1.00 0.00 C ATOM 436 O ALA A 27 19.898 2.913 0.076 1.00 0.00 O ATOM 437 CB ALA A 27 22.761 2.070 1.832 1.00 0.00 C ATOM 0 H ALA A 27 22.219 -0.087 0.259 1.00 0.00 H new ATOM 0 HA ALA A 27 20.664 1.685 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.677 3.125 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.071 1.503 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 27 23.502 1.949 1.042 1.00 0.00 H new ATOM 443 N HIS A 28 21.789 2.367 -0.901 1.00 0.00 N ATOM 444 CA HIS A 28 21.433 3.110 -2.152 1.00 0.00 C ATOM 445 C HIS A 28 19.945 2.920 -2.457 1.00 0.00 C ATOM 446 O HIS A 28 19.518 1.866 -2.886 1.00 0.00 O ATOM 447 CB HIS A 28 22.261 2.592 -3.341 1.00 0.00 C ATOM 448 CG HIS A 28 22.867 1.252 -3.014 1.00 0.00 C ATOM 449 ND1 HIS A 28 24.238 1.056 -2.966 1.00 0.00 N ATOM 450 CD2 HIS A 28 22.304 0.039 -2.701 1.00 0.00 C ATOM 451 CE1 HIS A 28 24.453 -0.229 -2.633 1.00 0.00 C ATOM 452 NE2 HIS A 28 23.307 -0.895 -2.461 1.00 0.00 N ATOM 0 H HIS A 28 22.698 1.905 -0.919 1.00 0.00 H new ATOM 0 HA HIS A 28 21.650 4.167 -2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 28 21.627 2.506 -4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 28 23.049 3.306 -3.582 1.00 0.00 H new ATOM 0 HD1 HIS A 28 24.954 1.759 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.244 -0.160 -2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 28 25.433 -0.669 -2.518 1.00 0.00 H new ATOM 460 N MET A 29 19.151 3.933 -2.232 1.00 0.00 N ATOM 461 CA MET A 29 17.689 3.817 -2.501 1.00 0.00 C ATOM 462 C MET A 29 17.064 2.854 -1.488 1.00 0.00 C ATOM 463 O MET A 29 16.859 1.689 -1.767 1.00 0.00 O ATOM 464 CB MET A 29 17.474 3.288 -3.920 1.00 0.00 C ATOM 465 CG MET A 29 16.932 4.413 -4.804 1.00 0.00 C ATOM 466 SD MET A 29 18.213 5.673 -5.027 1.00 0.00 S ATOM 467 CE MET A 29 17.126 7.005 -5.592 1.00 0.00 C ATOM 0 H MET A 29 19.454 4.838 -1.872 1.00 0.00 H new ATOM 0 HA MET A 29 17.218 4.796 -2.408 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.413 2.912 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 29 16.775 2.452 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.626 4.015 -5.771 1.00 0.00 H new ATOM 0 HG3 MET A 29 16.047 4.855 -4.347 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.718 7.898 -5.793 1.00 0.00 H new ATOM 0 HE2 MET A 29 16.615 6.696 -6.504 1.00 0.00 H new ATOM 0 HE3 MET A 29 16.388 7.225 -4.820 1.00 0.00 H new ATOM 477 N LYS A 30 16.767 3.332 -0.309 1.00 0.00 N ATOM 478 CA LYS A 30 16.166 2.453 0.730 1.00 0.00 C ATOM 479 C LYS A 30 14.649 2.388 0.547 1.00 0.00 C ATOM 480 O LYS A 30 13.899 2.824 1.397 1.00 0.00 O ATOM 481 CB LYS A 30 16.469 3.023 2.119 1.00 0.00 C ATOM 482 CG LYS A 30 17.721 3.903 2.076 1.00 0.00 C ATOM 483 CD LYS A 30 18.535 3.687 3.351 1.00 0.00 C ATOM 484 CE LYS A 30 17.907 4.481 4.498 1.00 0.00 C ATOM 485 NZ LYS A 30 18.307 3.875 5.798 1.00 0.00 N ATOM 0 H LYS A 30 16.917 4.299 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 30 16.590 1.453 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.619 3.607 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.614 2.209 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.322 3.657 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.439 4.952 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.564 2.627 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.566 4.006 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 30 18.230 5.521 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.821 4.481 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.880 4.414 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.977 2.889 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.343 3.898 5.887 1.00 0.00 H new ATOM 499 N ASN A 31 14.182 1.842 -0.541 1.00 0.00 N ATOM 500 CA ASN A 31 12.707 1.755 -0.742 1.00 0.00 C ATOM 501 C ASN A 31 12.196 0.444 -0.153 1.00 0.00 C ATOM 502 O ASN A 31 12.960 -0.410 0.248 1.00 0.00 O ATOM 503 CB ASN A 31 12.376 1.797 -2.234 1.00 0.00 C ATOM 504 CG ASN A 31 12.952 3.071 -2.853 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.948 3.590 -2.389 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.364 3.600 -3.892 1.00 0.00 N ATOM 0 H ASN A 31 14.751 1.455 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 31 12.229 2.600 -0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.788 0.920 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.296 1.767 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.741 4.449 -4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.528 3.164 -4.282 1.00 0.00 H new ATOM 513 N PHE A 32 10.906 0.277 -0.097 1.00 0.00 N ATOM 514 CA PHE A 32 10.344 -0.980 0.467 1.00 0.00 C ATOM 515 C PHE A 32 9.079 -1.359 -0.297 1.00 0.00 C ATOM 516 O PHE A 32 8.282 -0.512 -0.648 1.00 0.00 O ATOM 517 CB PHE A 32 9.994 -0.759 1.938 1.00 0.00 C ATOM 518 CG PHE A 32 11.243 -0.875 2.773 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.155 0.188 2.828 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.489 -2.048 3.495 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.312 0.074 3.607 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.645 -2.162 4.271 1.00 0.00 C ATOM 523 CZ PHE A 32 13.558 -1.102 4.329 1.00 0.00 C ATOM 0 H PHE A 32 10.216 0.956 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 32 11.079 -1.780 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.544 0.225 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.257 -1.494 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.965 1.093 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.785 -2.866 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.015 0.892 3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.835 -3.068 4.827 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.451 -1.190 4.930 1.00 0.00 H new ATOM 533 N ILE A 33 8.868 -2.626 -0.542 1.00 0.00 N ATOM 534 CA ILE A 33 7.638 -3.026 -1.265 1.00 0.00 C ATOM 535 C ILE A 33 6.545 -3.267 -0.233 1.00 0.00 C ATOM 536 O ILE A 33 6.489 -4.304 0.397 1.00 0.00 O ATOM 537 CB ILE A 33 7.878 -4.305 -2.066 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.312 -4.310 -2.602 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.896 -4.359 -3.238 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.506 -3.121 -3.543 1.00 0.00 C ATOM 0 H ILE A 33 9.490 -3.389 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 33 7.346 -2.239 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 33 7.728 -5.172 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.021 -4.254 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.511 -5.242 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.064 -5.270 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.875 -4.353 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.049 -3.492 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.527 -3.123 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.806 -3.198 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.324 -2.194 -3.000 1.00 0.00 H new ATOM 552 N THR A 34 5.686 -2.311 -0.040 1.00 0.00 N ATOM 553 CA THR A 34 4.612 -2.487 0.971 1.00 0.00 C ATOM 554 C THR A 34 3.395 -3.131 0.313 1.00 0.00 C ATOM 555 O THR A 34 2.754 -2.555 -0.541 1.00 0.00 O ATOM 556 CB THR A 34 4.237 -1.127 1.560 1.00 0.00 C ATOM 557 OG1 THR A 34 5.332 -0.628 2.320 1.00 0.00 O ATOM 558 CG2 THR A 34 3.010 -1.281 2.462 1.00 0.00 C ATOM 0 H THR A 34 5.680 -1.419 -0.535 1.00 0.00 H new ATOM 0 HA THR A 34 4.965 -3.134 1.774 1.00 0.00 H new ATOM 0 HB THR A 34 4.005 -0.430 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.971 -0.187 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.743 -0.311 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.175 -1.666 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.238 -1.976 3.270 1.00 0.00 H new ATOM 566 N ALA A 35 3.081 -4.336 0.696 1.00 0.00 N ATOM 567 CA ALA A 35 1.914 -5.031 0.086 1.00 0.00 C ATOM 568 C ALA A 35 0.618 -4.554 0.743 1.00 0.00 C ATOM 569 O ALA A 35 0.413 -4.733 1.921 1.00 0.00 O ATOM 570 CB ALA A 35 2.068 -6.529 0.311 1.00 0.00 C ATOM 0 H ALA A 35 3.582 -4.870 1.406 1.00 0.00 H new ATOM 0 HA ALA A 35 1.874 -4.809 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.220 -7.052 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.990 -6.874 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.104 -6.734 1.381 1.00 0.00 H new ATOM 576 N CYS A 36 -0.280 -3.979 -0.009 1.00 0.00 N ATOM 577 CA CYS A 36 -1.564 -3.532 0.597 1.00 0.00 C ATOM 578 C CYS A 36 -2.663 -4.384 -0.026 1.00 0.00 C ATOM 579 O CYS A 36 -2.868 -4.346 -1.215 1.00 0.00 O ATOM 580 CB CYS A 36 -1.812 -2.026 0.329 1.00 0.00 C ATOM 581 SG CYS A 36 -0.563 -1.346 -0.797 1.00 0.00 S ATOM 0 H CYS A 36 -0.181 -3.801 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.544 -3.655 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.805 -1.889 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.793 -1.478 1.271 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.603 -1.987 -1.927 1.00 0.00 H new ATOM 587 N ILE A 37 -3.347 -5.189 0.747 1.00 0.00 N ATOM 588 CA ILE A 37 -4.384 -6.068 0.135 1.00 0.00 C ATOM 589 C ILE A 37 -5.622 -5.258 -0.192 1.00 0.00 C ATOM 590 O ILE A 37 -6.103 -4.483 0.622 1.00 0.00 O ATOM 591 CB ILE A 37 -4.744 -7.232 1.087 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.043 -8.491 0.261 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.977 -6.904 1.956 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.483 -8.450 -0.256 1.00 0.00 C ATOM 0 H ILE A 37 -3.235 -5.274 1.757 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.981 -6.490 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.893 -7.394 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.349 -8.559 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.893 -9.381 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.196 -7.748 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.772 -6.020 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.835 -6.712 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.685 -9.347 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.171 -8.404 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.619 -7.569 -0.884 1.00 0.00 H new ATOM 606 N VAL A 38 -6.127 -5.479 -1.381 1.00 0.00 N ATOM 607 CA VAL A 38 -7.351 -4.793 -1.865 1.00 0.00 C ATOM 608 C VAL A 38 -8.318 -5.865 -2.396 1.00 0.00 C ATOM 609 O VAL A 38 -7.932 -6.730 -3.163 1.00 0.00 O ATOM 610 CB VAL A 38 -6.960 -3.788 -2.972 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.605 -4.144 -4.320 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.413 -2.391 -2.553 1.00 0.00 C ATOM 0 H VAL A 38 -5.722 -6.130 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.840 -4.239 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.878 -3.824 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.305 -3.413 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.278 -5.137 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.690 -4.135 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.142 -1.673 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.494 -2.385 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.926 -2.116 -1.617 1.00 0.00 H new ATOM 622 N GLY A 39 -9.558 -5.797 -1.974 1.00 0.00 N ATOM 623 CA GLY A 39 -10.612 -6.784 -2.396 1.00 0.00 C ATOM 624 C GLY A 39 -10.141 -7.698 -3.536 1.00 0.00 C ATOM 625 O GLY A 39 -9.693 -8.804 -3.310 1.00 0.00 O ATOM 0 H GLY A 39 -9.896 -5.077 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.897 -7.395 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.504 -6.244 -2.713 1.00 0.00 H new ATOM 629 N SER A 40 -10.270 -7.246 -4.754 1.00 0.00 N ATOM 630 CA SER A 40 -9.865 -8.080 -5.928 1.00 0.00 C ATOM 631 C SER A 40 -8.616 -8.913 -5.616 1.00 0.00 C ATOM 632 O SER A 40 -8.634 -10.124 -5.704 1.00 0.00 O ATOM 633 CB SER A 40 -9.572 -7.165 -7.117 1.00 0.00 C ATOM 634 OG SER A 40 -10.730 -7.076 -7.938 1.00 0.00 O ATOM 0 H SER A 40 -10.642 -6.326 -4.991 1.00 0.00 H new ATOM 0 HA SER A 40 -10.683 -8.761 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.284 -6.174 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.733 -7.555 -7.693 1.00 0.00 H new ATOM 0 HG SER A 40 -10.546 -6.489 -8.701 1.00 0.00 H new ATOM 640 N ILE A 41 -7.526 -8.281 -5.273 1.00 0.00 N ATOM 641 CA ILE A 41 -6.280 -9.045 -4.983 1.00 0.00 C ATOM 642 C ILE A 41 -5.325 -8.151 -4.197 1.00 0.00 C ATOM 643 O ILE A 41 -5.703 -7.096 -3.736 1.00 0.00 O ATOM 644 CB ILE A 41 -5.598 -9.462 -6.291 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.266 -8.781 -7.494 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.687 -10.979 -6.455 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.124 -7.263 -7.363 1.00 0.00 C ATOM 0 H ILE A 41 -7.445 -7.268 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.533 -9.936 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.553 -9.154 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.805 -9.122 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.320 -9.056 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.202 -11.273 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.189 -11.465 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.734 -11.281 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.598 -6.778 -8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.606 -6.931 -6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.067 -6.997 -7.336 1.00 0.00 H new ATOM 659 N VAL A 42 -4.088 -8.547 -4.047 1.00 0.00 N ATOM 660 CA VAL A 42 -3.140 -7.684 -3.289 1.00 0.00 C ATOM 661 C VAL A 42 -2.464 -6.700 -4.229 1.00 0.00 C ATOM 662 O VAL A 42 -1.961 -7.049 -5.278 1.00 0.00 O ATOM 663 CB VAL A 42 -2.040 -8.504 -2.617 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.755 -7.933 -1.227 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.466 -9.969 -2.500 1.00 0.00 C ATOM 0 H VAL A 42 -3.699 -9.417 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.724 -7.166 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.136 -8.451 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.970 -8.518 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.430 -6.897 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.661 -7.977 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.673 -10.541 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.375 -10.037 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.654 -10.374 -3.494 1.00 0.00 H new ATOM 675 N THR A 43 -2.423 -5.480 -3.820 1.00 0.00 N ATOM 676 CA THR A 43 -1.757 -4.426 -4.614 1.00 0.00 C ATOM 677 C THR A 43 -0.666 -3.823 -3.730 1.00 0.00 C ATOM 678 O THR A 43 -0.942 -3.081 -2.812 1.00 0.00 O ATOM 679 CB THR A 43 -2.780 -3.353 -5.003 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.543 -3.812 -6.109 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.060 -2.057 -5.382 1.00 0.00 C ATOM 0 H THR A 43 -2.834 -5.156 -2.944 1.00 0.00 H new ATOM 0 HA THR A 43 -1.327 -4.832 -5.530 1.00 0.00 H new ATOM 0 HB THR A 43 -3.438 -3.160 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.200 -3.129 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.794 -1.300 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.475 -1.704 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.397 -2.243 -6.227 1.00 0.00 H new ATOM 689 N GLU A 44 0.566 -4.165 -3.962 1.00 0.00 N ATOM 690 CA GLU A 44 1.650 -3.621 -3.101 1.00 0.00 C ATOM 691 C GLU A 44 2.087 -2.247 -3.599 1.00 0.00 C ATOM 692 O GLU A 44 1.465 -1.647 -4.453 1.00 0.00 O ATOM 693 CB GLU A 44 2.848 -4.567 -3.112 1.00 0.00 C ATOM 694 CG GLU A 44 3.436 -4.632 -4.523 1.00 0.00 C ATOM 695 CD GLU A 44 4.376 -5.835 -4.629 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.065 -6.857 -4.039 1.00 0.00 O ATOM 697 OE2 GLU A 44 5.389 -5.714 -5.297 1.00 0.00 O ATOM 0 H GLU A 44 0.870 -4.794 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 44 1.268 -3.527 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.604 -4.221 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.542 -5.562 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.636 -4.716 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.978 -3.713 -4.745 1.00 0.00 H new ATOM 704 N GLY A 45 3.163 -1.753 -3.061 1.00 0.00 N ATOM 705 CA GLY A 45 3.678 -0.418 -3.475 1.00 0.00 C ATOM 706 C GLY A 45 5.163 -0.365 -3.146 1.00 0.00 C ATOM 707 O GLY A 45 5.709 -1.310 -2.622 1.00 0.00 O ATOM 0 H GLY A 45 3.716 -2.222 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.518 -0.262 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.143 0.376 -2.953 1.00 0.00 H new ATOM 711 N GLU A 46 5.831 0.713 -3.443 1.00 0.00 N ATOM 712 CA GLU A 46 7.287 0.769 -3.135 1.00 0.00 C ATOM 713 C GLU A 46 7.618 2.030 -2.334 1.00 0.00 C ATOM 714 O GLU A 46 8.066 3.020 -2.878 1.00 0.00 O ATOM 715 CB GLU A 46 8.097 0.767 -4.436 1.00 0.00 C ATOM 716 CG GLU A 46 7.213 1.177 -5.619 1.00 0.00 C ATOM 717 CD GLU A 46 8.084 1.783 -6.721 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.938 1.076 -7.231 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.881 2.944 -7.038 1.00 0.00 O ATOM 0 H GLU A 46 5.439 1.548 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 46 7.547 -0.107 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.939 1.454 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.512 -0.225 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.674 0.310 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.464 1.899 -5.294 1.00 0.00 H new ATOM 726 N GLY A 47 7.424 1.998 -1.044 1.00 0.00 N ATOM 727 CA GLY A 47 7.755 3.195 -0.217 1.00 0.00 C ATOM 728 C GLY A 47 9.197 3.612 -0.514 1.00 0.00 C ATOM 729 O GLY A 47 9.940 2.883 -1.141 1.00 0.00 O ATOM 0 H GLY A 47 7.053 1.200 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.071 4.012 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.638 2.967 0.842 1.00 0.00 H new ATOM 733 N ASN A 48 9.601 4.775 -0.083 1.00 0.00 N ATOM 734 CA ASN A 48 10.996 5.216 -0.366 1.00 0.00 C ATOM 735 C ASN A 48 11.676 5.717 0.912 1.00 0.00 C ATOM 736 O ASN A 48 11.765 6.904 1.154 1.00 0.00 O ATOM 737 CB ASN A 48 10.969 6.344 -1.400 1.00 0.00 C ATOM 738 CG ASN A 48 12.268 6.330 -2.208 1.00 0.00 C ATOM 739 OD1 ASN A 48 13.330 6.086 -1.670 1.00 0.00 O ATOM 740 ND2 ASN A 48 12.229 6.585 -3.487 1.00 0.00 N ATOM 0 H ASN A 48 9.032 5.434 0.448 1.00 0.00 H new ATOM 0 HA ASN A 48 11.560 4.367 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.114 6.221 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.849 7.306 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.090 6.579 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.338 6.790 -3.939 1.00 0.00 H new ATOM 747 N GLY A 49 12.180 4.822 1.719 1.00 0.00 N ATOM 748 CA GLY A 49 12.881 5.248 2.965 1.00 0.00 C ATOM 749 C GLY A 49 12.031 4.924 4.194 1.00 0.00 C ATOM 750 O GLY A 49 11.015 4.267 4.107 1.00 0.00 O ATOM 0 H GLY A 49 12.137 3.814 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.844 4.743 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.084 6.318 2.928 1.00 0.00 H new ATOM 754 N LYS A 50 12.447 5.384 5.343 1.00 0.00 N ATOM 755 CA LYS A 50 11.672 5.108 6.584 1.00 0.00 C ATOM 756 C LYS A 50 10.467 6.048 6.643 1.00 0.00 C ATOM 757 O LYS A 50 10.229 6.823 5.738 1.00 0.00 O ATOM 758 CB LYS A 50 12.562 5.340 7.806 1.00 0.00 C ATOM 759 CG LYS A 50 13.243 4.026 8.197 1.00 0.00 C ATOM 760 CD LYS A 50 14.762 4.204 8.150 1.00 0.00 C ATOM 761 CE LYS A 50 15.239 4.865 9.444 1.00 0.00 C ATOM 762 NZ LYS A 50 15.218 3.868 10.551 1.00 0.00 N ATOM 0 H LYS A 50 13.292 5.940 5.475 1.00 0.00 H new ATOM 0 HA LYS A 50 11.330 4.073 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.312 6.099 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.966 5.715 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.932 3.727 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.938 3.230 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.248 3.237 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.041 4.816 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.247 5.258 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.597 5.711 9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.838 4.191 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.247 3.767 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.554 2.950 10.197 1.00 0.00 H new ATOM 776 N LYS A 51 9.699 5.985 7.695 1.00 0.00 N ATOM 777 CA LYS A 51 8.509 6.873 7.796 1.00 0.00 C ATOM 778 C LYS A 51 7.715 6.784 6.493 1.00 0.00 C ATOM 779 O LYS A 51 6.976 7.683 6.139 1.00 0.00 O ATOM 780 CB LYS A 51 8.964 8.317 8.020 1.00 0.00 C ATOM 781 CG LYS A 51 9.553 8.456 9.425 1.00 0.00 C ATOM 782 CD LYS A 51 9.904 9.921 9.689 1.00 0.00 C ATOM 783 CE LYS A 51 8.716 10.621 10.354 1.00 0.00 C ATOM 784 NZ LYS A 51 9.180 11.324 11.584 1.00 0.00 N ATOM 0 H LYS A 51 9.844 5.359 8.487 1.00 0.00 H new ATOM 0 HA LYS A 51 7.885 6.561 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.708 8.595 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.121 8.998 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.837 8.103 10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.444 7.835 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.783 9.985 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.156 10.420 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.266 11.333 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.946 9.892 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.374 11.800 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.590 10.633 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.900 12.030 11.330 1.00 0.00 H new ATOM 798 N VAL A 52 7.865 5.705 5.777 1.00 0.00 N ATOM 799 CA VAL A 52 7.127 5.546 4.495 1.00 0.00 C ATOM 800 C VAL A 52 6.749 4.073 4.313 1.00 0.00 C ATOM 801 O VAL A 52 6.662 3.326 5.267 1.00 0.00 O ATOM 802 CB VAL A 52 8.019 6.022 3.332 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.888 4.873 2.812 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.136 6.547 2.197 1.00 0.00 C ATOM 0 H VAL A 52 8.470 4.923 6.027 1.00 0.00 H new ATOM 0 HA VAL A 52 6.217 6.146 4.508 1.00 0.00 H new ATOM 0 HB VAL A 52 8.672 6.816 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.510 5.230 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.525 4.505 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.248 4.065 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.765 6.884 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.479 5.750 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.535 7.381 2.560 1.00 0.00 H new ATOM 814 N SER A 53 6.531 3.658 3.092 1.00 0.00 N ATOM 815 CA SER A 53 6.162 2.239 2.819 1.00 0.00 C ATOM 816 C SER A 53 4.661 2.052 3.026 1.00 0.00 C ATOM 817 O SER A 53 3.963 1.612 2.142 1.00 0.00 O ATOM 818 CB SER A 53 6.939 1.303 3.744 1.00 0.00 C ATOM 819 OG SER A 53 7.503 0.249 2.977 1.00 0.00 O ATOM 0 H SER A 53 6.594 4.250 2.264 1.00 0.00 H new ATOM 0 HA SER A 53 6.416 1.997 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.725 1.853 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.278 0.898 4.510 1.00 0.00 H new ATOM 0 HG SER A 53 6.928 -0.542 3.035 1.00 0.00 H new ATOM 825 N LYS A 54 4.155 2.389 4.176 1.00 0.00 N ATOM 826 CA LYS A 54 2.690 2.232 4.409 1.00 0.00 C ATOM 827 C LYS A 54 1.949 3.353 3.677 1.00 0.00 C ATOM 828 O LYS A 54 0.954 3.124 3.017 1.00 0.00 O ATOM 829 CB LYS A 54 2.378 2.294 5.911 1.00 0.00 C ATOM 830 CG LYS A 54 3.281 3.319 6.602 1.00 0.00 C ATOM 831 CD LYS A 54 4.357 2.589 7.409 1.00 0.00 C ATOM 832 CE LYS A 54 4.869 3.506 8.522 1.00 0.00 C ATOM 833 NZ LYS A 54 6.255 3.948 8.202 1.00 0.00 N ATOM 0 H LYS A 54 4.686 2.764 4.962 1.00 0.00 H new ATOM 0 HA LYS A 54 2.365 1.263 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.332 2.562 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.523 1.311 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.746 3.969 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.689 3.957 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.948 1.674 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.180 2.296 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.214 4.371 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.855 2.980 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.378 4.940 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.936 3.353 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.420 3.860 7.179 1.00 0.00 H new ATOM 847 N LYS A 55 2.436 4.560 3.772 1.00 0.00 N ATOM 848 CA LYS A 55 1.769 5.686 3.067 1.00 0.00 C ATOM 849 C LYS A 55 1.898 5.464 1.561 1.00 0.00 C ATOM 850 O LYS A 55 0.949 5.612 0.814 1.00 0.00 O ATOM 851 CB LYS A 55 2.446 7.003 3.453 1.00 0.00 C ATOM 852 CG LYS A 55 1.926 7.465 4.817 1.00 0.00 C ATOM 853 CD LYS A 55 3.104 7.644 5.778 1.00 0.00 C ATOM 854 CE LYS A 55 2.931 8.946 6.562 1.00 0.00 C ATOM 855 NZ LYS A 55 4.208 9.715 6.540 1.00 0.00 N ATOM 0 H LYS A 55 3.266 4.813 4.307 1.00 0.00 H new ATOM 0 HA LYS A 55 0.716 5.731 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.527 6.871 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.243 7.763 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.383 8.404 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.224 6.734 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.159 6.799 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.041 7.664 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.129 9.541 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.644 8.728 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.090 10.600 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.963 9.147 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.464 9.935 5.556 1.00 0.00 H new ATOM 869 N ARG A 56 3.067 5.095 1.112 1.00 0.00 N ATOM 870 CA ARG A 56 3.262 4.848 -0.343 1.00 0.00 C ATOM 871 C ARG A 56 2.348 3.702 -0.774 1.00 0.00 C ATOM 872 O ARG A 56 1.447 3.885 -1.564 1.00 0.00 O ATOM 873 CB ARG A 56 4.722 4.470 -0.608 1.00 0.00 C ATOM 874 CG ARG A 56 5.251 5.289 -1.788 1.00 0.00 C ATOM 875 CD ARG A 56 4.725 4.695 -3.097 1.00 0.00 C ATOM 876 NE ARG A 56 5.278 5.454 -4.254 1.00 0.00 N ATOM 877 CZ ARG A 56 5.445 6.746 -4.174 1.00 0.00 C ATOM 878 NH1 ARG A 56 4.458 7.552 -4.457 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.600 7.234 -3.808 1.00 0.00 N ATOM 0 H ARG A 56 3.895 4.954 1.691 1.00 0.00 H new ATOM 0 HA ARG A 56 3.019 5.748 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.325 4.659 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.800 3.405 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.935 6.328 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.341 5.286 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.008 3.645 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.636 4.733 -3.113 1.00 0.00 H new ATOM 0 HE ARG A 56 5.527 4.962 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.555 7.172 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.590 8.561 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.372 6.605 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.730 8.244 -3.746 1.00 0.00 H new ATOM 893 N ALA A 57 2.573 2.524 -0.256 1.00 0.00 N ATOM 894 CA ALA A 57 1.717 1.364 -0.627 1.00 0.00 C ATOM 895 C ALA A 57 0.260 1.813 -0.687 1.00 0.00 C ATOM 896 O ALA A 57 -0.458 1.484 -1.603 1.00 0.00 O ATOM 897 CB ALA A 57 1.845 0.256 0.422 1.00 0.00 C ATOM 0 H ALA A 57 3.316 2.316 0.411 1.00 0.00 H new ATOM 0 HA ALA A 57 2.038 0.985 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.214 -0.587 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.883 -0.071 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.529 0.636 1.393 1.00 0.00 H new ATOM 903 N ALA A 58 -0.187 2.544 0.301 1.00 0.00 N ATOM 904 CA ALA A 58 -1.608 3.001 0.317 1.00 0.00 C ATOM 905 C ALA A 58 -1.919 3.815 -0.943 1.00 0.00 C ATOM 906 O ALA A 58 -2.767 3.439 -1.726 1.00 0.00 O ATOM 907 CB ALA A 58 -1.861 3.859 1.559 1.00 0.00 C ATOM 0 H ALA A 58 0.372 2.845 1.099 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.258 2.126 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.899 4.191 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.661 3.271 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.203 4.728 1.541 1.00 0.00 H new ATOM 913 N GLU A 59 -1.255 4.924 -1.155 1.00 0.00 N ATOM 914 CA GLU A 59 -1.551 5.726 -2.381 1.00 0.00 C ATOM 915 C GLU A 59 -1.629 4.781 -3.572 1.00 0.00 C ATOM 916 O GLU A 59 -2.572 4.792 -4.334 1.00 0.00 O ATOM 917 CB GLU A 59 -0.444 6.753 -2.629 1.00 0.00 C ATOM 918 CG GLU A 59 -0.737 8.024 -1.831 1.00 0.00 C ATOM 919 CD GLU A 59 0.386 8.263 -0.821 1.00 0.00 C ATOM 920 OE1 GLU A 59 1.413 8.787 -1.220 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.201 7.919 0.335 1.00 0.00 O ATOM 0 H GLU A 59 -0.532 5.304 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.495 6.254 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.521 6.341 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.381 6.985 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.823 8.877 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.692 7.929 -1.314 1.00 0.00 H new ATOM 928 N LYS A 60 -0.645 3.950 -3.726 1.00 0.00 N ATOM 929 CA LYS A 60 -0.652 2.984 -4.851 1.00 0.00 C ATOM 930 C LYS A 60 -1.990 2.239 -4.849 1.00 0.00 C ATOM 931 O LYS A 60 -2.626 2.069 -5.869 1.00 0.00 O ATOM 932 CB LYS A 60 0.494 1.986 -4.655 1.00 0.00 C ATOM 933 CG LYS A 60 1.350 1.938 -5.922 1.00 0.00 C ATOM 934 CD LYS A 60 2.033 3.291 -6.127 1.00 0.00 C ATOM 935 CE LYS A 60 2.970 3.212 -7.335 1.00 0.00 C ATOM 936 NZ LYS A 60 3.765 4.469 -7.429 1.00 0.00 N ATOM 0 H LYS A 60 0.171 3.897 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.523 3.504 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.105 2.280 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.095 0.996 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.098 1.150 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.729 1.698 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.285 4.068 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.595 3.565 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.636 2.354 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.393 3.065 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.109 4.590 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.166 5.279 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.576 4.416 -6.780 1.00 0.00 H new ATOM 950 N MET A 61 -2.415 1.799 -3.698 1.00 0.00 N ATOM 951 CA MET A 61 -3.700 1.059 -3.580 1.00 0.00 C ATOM 952 C MET A 61 -4.872 1.960 -3.979 1.00 0.00 C ATOM 953 O MET A 61 -5.499 1.763 -4.998 1.00 0.00 O ATOM 954 CB MET A 61 -3.866 0.625 -2.123 1.00 0.00 C ATOM 955 CG MET A 61 -5.291 0.135 -1.888 1.00 0.00 C ATOM 956 SD MET A 61 -5.249 -1.322 -0.819 1.00 0.00 S ATOM 957 CE MET A 61 -4.377 -2.411 -1.971 1.00 0.00 C ATOM 0 H MET A 61 -1.915 1.924 -2.818 1.00 0.00 H new ATOM 0 HA MET A 61 -3.689 0.193 -4.242 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.156 -0.168 -1.887 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.645 1.460 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.888 0.922 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.766 -0.110 -2.838 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.614 -3.450 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.688 -2.186 -2.991 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.302 -2.255 -1.877 1.00 0.00 H new ATOM 967 N LEU A 62 -5.185 2.935 -3.177 1.00 0.00 N ATOM 968 CA LEU A 62 -6.327 3.835 -3.505 1.00 0.00 C ATOM 969 C LEU A 62 -6.234 4.257 -4.966 1.00 0.00 C ATOM 970 O LEU A 62 -7.076 3.930 -5.774 1.00 0.00 O ATOM 971 CB LEU A 62 -6.275 5.059 -2.591 1.00 0.00 C ATOM 972 CG LEU A 62 -6.398 4.639 -1.109 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.310 5.625 -0.390 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.020 3.241 -0.960 1.00 0.00 C ATOM 0 H LEU A 62 -4.700 3.150 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.272 3.315 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.339 5.595 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.082 5.746 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.394 4.628 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.403 5.337 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.885 6.627 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.295 5.617 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.089 2.984 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.017 3.238 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.396 2.509 -1.472 1.00 0.00 H new ATOM 986 N VAL A 63 -5.207 4.972 -5.310 1.00 0.00 N ATOM 987 CA VAL A 63 -5.036 5.413 -6.719 1.00 0.00 C ATOM 988 C VAL A 63 -5.160 4.200 -7.657 1.00 0.00 C ATOM 989 O VAL A 63 -5.569 4.326 -8.795 1.00 0.00 O ATOM 990 CB VAL A 63 -3.652 6.060 -6.854 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.218 6.093 -8.318 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.710 7.491 -6.314 1.00 0.00 C ATOM 0 H VAL A 63 -4.471 5.274 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.806 6.135 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.931 5.473 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.234 6.555 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.173 5.076 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.937 6.672 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.728 7.955 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.439 8.066 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.004 7.472 -5.264 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.800 3.030 -7.194 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.886 1.814 -8.065 1.00 0.00 C ATOM 1004 C GLU A 64 -6.347 1.447 -8.373 1.00 0.00 C ATOM 1005 O GLU A 64 -6.723 1.330 -9.522 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.210 0.629 -7.371 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.772 0.490 -7.879 1.00 0.00 C ATOM 1008 CD GLU A 64 -2.758 -0.358 -9.153 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.790 -0.924 -9.474 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -1.716 -0.428 -9.783 1.00 0.00 O ATOM 0 H GLU A 64 -4.450 2.862 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.379 2.040 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.212 0.777 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.767 -0.287 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.350 1.475 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.149 0.026 -7.114 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.178 1.245 -7.378 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.595 0.868 -7.686 1.00 0.00 C ATOM 1019 C LEU A 65 -9.487 2.107 -7.688 1.00 0.00 C ATOM 1020 O LEU A 65 -10.695 2.016 -7.775 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.160 -0.183 -6.706 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.457 -0.167 -5.342 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -7.030 -0.710 -5.469 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.440 1.251 -4.770 1.00 0.00 C ATOM 0 H LEU A 65 -6.945 1.322 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.590 0.416 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.225 -0.002 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.062 -1.174 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.011 -0.810 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.546 -0.692 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.062 -1.735 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.466 -0.090 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.938 1.247 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.906 1.912 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.463 1.606 -4.647 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.900 3.262 -7.603 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.711 4.512 -7.612 1.00 0.00 C ATOM 1038 C GLN A 66 -9.656 5.143 -9.005 1.00 0.00 C ATOM 1039 O GLN A 66 -10.424 6.027 -9.327 1.00 0.00 O ATOM 1040 CB GLN A 66 -9.149 5.489 -6.583 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.513 5.004 -5.182 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.011 5.974 -4.152 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -8.203 6.837 -4.432 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.467 5.858 -2.954 1.00 0.00 N ATOM 0 H GLN A 66 -7.892 3.399 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.746 4.279 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.066 5.562 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.553 6.487 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.594 4.897 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.080 4.019 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.145 5.128 -2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.150 6.496 -2.224 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.754 4.691 -9.832 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.648 5.260 -11.207 1.00 0.00 C ATOM 1055 C LYS A 67 -9.073 4.202 -12.225 1.00 0.00 C ATOM 1056 O LYS A 67 -9.694 4.502 -13.225 1.00 0.00 O ATOM 1057 CB LYS A 67 -7.200 5.674 -11.478 1.00 0.00 C ATOM 1058 CG LYS A 67 -7.144 7.171 -11.790 1.00 0.00 C ATOM 1059 CD LYS A 67 -7.429 7.394 -13.276 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.221 6.945 -14.102 1.00 0.00 C ATOM 1061 NZ LYS A 67 -6.664 6.603 -15.483 1.00 0.00 N ATOM 0 H LYS A 67 -8.085 3.952 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.296 6.132 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.579 5.449 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.798 5.103 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.875 7.707 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.163 7.570 -11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.315 6.834 -13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.639 8.447 -13.463 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.474 7.738 -14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.749 6.081 -13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.844 6.298 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.362 5.833 -15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.096 7.439 -15.926 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.741 2.966 -11.977 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.117 1.885 -12.923 1.00 0.00 C ATOM 1077 C LEU A 68 -10.627 1.645 -12.853 1.00 0.00 C ATOM 1078 O LEU A 68 -11.360 2.443 -13.416 1.00 0.00 O ATOM 1079 CB LEU A 68 -8.377 0.606 -12.532 1.00 0.00 C ATOM 1080 CG LEU A 68 -6.875 0.886 -12.467 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -6.134 -0.388 -12.060 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -6.383 1.343 -13.843 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.025 0.668 -12.241 1.00 0.00 O ATOM 0 H LEU A 68 -8.222 2.659 -11.154 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.847 2.173 -13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.733 0.248 -11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.580 -0.181 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.683 1.668 -11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.064 -0.187 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.484 -0.716 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.325 -1.170 -12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.312 1.543 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.576 0.560 -14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.910 2.251 -14.135 1.00 0.00 H new TER 1095 LEU A 68