USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 76 THR OG1 : rot -141:sc= -0.718! USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 74:sc= -5.51! USER MOD Set 2.2: A 60 ASN : amide:sc= -18.4! C(o=-24!,f=-31!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -7.3! C(o=-7.3!,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -118:sc= 0.425 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.89) USER MOD Single : A 48 MET CE :methyl -130:sc= -1.57 (180deg=-7.42!) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00958) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.219 (180deg=-1.46!) USER MOD Single : A 53 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= -0.242 K(o=-0.24,f=-5.6!) USER MOD Single : A 59 MET CE :methyl -174:sc= -2.14! (180deg=-2.28!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 67 THR OG1 : rot 101:sc= 0.251 USER MOD Single : A 68 MET CE :methyl -111:sc= -4.47! (180deg=-8.93!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.00064) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= -5.58! USER MOD Single : A 73 THR OG1 : rot -20:sc= -2.05 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.54) USER MOD Single : A 87 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -11.996 3.715 1.843 1.00 0.00 N ATOM 49 CA SER A 16 -10.564 3.723 1.565 1.00 0.00 C ATOM 50 C SER A 16 -9.765 3.360 2.813 1.00 0.00 C ATOM 51 O SER A 16 -9.583 4.186 3.708 1.00 0.00 O ATOM 52 CB SER A 16 -10.130 5.096 1.050 1.00 0.00 C ATOM 53 OG SER A 16 -10.606 5.322 -0.266 1.00 0.00 O ATOM 0 HA SER A 16 -10.365 2.975 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.507 5.873 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.042 5.166 1.063 1.00 0.00 H new ATOM 0 HG SER A 16 -10.316 6.207 -0.571 1.00 0.00 H new ATOM 59 N ARG A 17 -9.291 2.119 2.866 1.00 0.00 N ATOM 60 CA ARG A 17 -8.511 1.646 4.003 1.00 0.00 C ATOM 61 C ARG A 17 -7.386 0.726 3.543 1.00 0.00 C ATOM 62 O ARG A 17 -6.219 0.943 3.869 1.00 0.00 O ATOM 63 CB ARG A 17 -9.411 0.913 5.002 1.00 0.00 C ATOM 64 CG ARG A 17 -10.842 0.734 4.521 1.00 0.00 C ATOM 65 CD ARG A 17 -11.615 -0.220 5.417 1.00 0.00 C ATOM 66 NE ARG A 17 -12.804 0.408 5.986 1.00 0.00 N ATOM 67 CZ ARG A 17 -13.684 -0.237 6.746 1.00 0.00 C ATOM 68 NH1 ARG A 17 -13.508 -1.521 7.025 1.00 0.00 N ATOM 69 NH2 ARG A 17 -14.742 0.403 7.227 1.00 0.00 N ATOM 0 H ARG A 17 -9.434 1.423 2.134 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.071 2.513 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.983 -0.067 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.420 1.465 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.343 1.702 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.839 0.354 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.908 -1.099 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.967 -0.567 6.222 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.969 1.395 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.696 -2.016 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.184 -2.014 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.881 1.391 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.416 -0.093 7.810 1.00 0.00 H new ATOM 83 N VAL A 18 -7.746 -0.304 2.783 1.00 0.00 N ATOM 84 CA VAL A 18 -6.767 -1.258 2.276 1.00 0.00 C ATOM 85 C VAL A 18 -6.189 -0.792 0.945 1.00 0.00 C ATOM 86 O VAL A 18 -6.840 -0.890 -0.095 1.00 0.00 O ATOM 87 CB VAL A 18 -7.387 -2.656 2.093 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.362 -3.625 1.527 1.00 0.00 C ATOM 89 CG2 VAL A 18 -7.948 -3.168 3.410 1.00 0.00 C ATOM 0 H VAL A 18 -8.708 -0.499 2.505 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.969 -1.318 3.016 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.209 -2.579 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.819 -4.607 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.015 -3.263 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.516 -3.701 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.382 -4.157 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.147 -3.230 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.718 -2.484 3.768 1.00 0.00 H new ATOM 99 N ILE A 19 -4.962 -0.284 0.984 1.00 0.00 N ATOM 100 CA ILE A 19 -4.297 0.199 -0.221 1.00 0.00 C ATOM 101 C ILE A 19 -3.558 -0.938 -0.929 1.00 0.00 C ATOM 102 O ILE A 19 -2.854 -1.723 -0.294 1.00 0.00 O ATOM 103 CB ILE A 19 -3.328 1.369 0.110 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.691 2.601 -0.720 1.00 0.00 C ATOM 105 CG2 ILE A 19 -1.865 0.991 -0.114 1.00 0.00 C ATOM 106 CD1 ILE A 19 -3.804 3.869 0.098 1.00 0.00 C ATOM 0 H ILE A 19 -4.408 -0.196 1.836 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.062 0.578 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.442 1.597 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.936 2.743 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.638 2.420 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.228 1.841 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.605 0.147 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.716 0.715 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.064 4.702 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.579 3.746 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.851 4.074 0.585 1.00 0.00 H new ATOM 118 N HIS A 20 -3.726 -1.019 -2.244 1.00 0.00 N ATOM 119 CA HIS A 20 -3.076 -2.057 -3.035 1.00 0.00 C ATOM 120 C HIS A 20 -1.794 -1.531 -3.672 1.00 0.00 C ATOM 121 O HIS A 20 -1.832 -0.648 -4.528 1.00 0.00 O ATOM 122 CB HIS A 20 -4.026 -2.572 -4.118 1.00 0.00 C ATOM 123 CG HIS A 20 -3.695 -3.951 -4.598 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.343 -4.556 -5.655 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.777 -4.845 -4.161 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.838 -5.762 -5.846 1.00 0.00 C ATOM 127 NE2 HIS A 20 -2.887 -5.962 -4.953 1.00 0.00 N ATOM 0 H HIS A 20 -4.307 -0.378 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.818 -2.880 -2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.044 -2.566 -3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.004 -1.886 -4.965 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.094 -4.138 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.087 -4.706 -3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.150 -6.465 -6.604 1.00 0.00 H new ATOM 136 N ILE A 21 -0.662 -2.082 -3.250 1.00 0.00 N ATOM 137 CA ILE A 21 0.632 -1.668 -3.778 1.00 0.00 C ATOM 138 C ILE A 21 1.014 -2.486 -5.007 1.00 0.00 C ATOM 139 O ILE A 21 1.072 -3.714 -4.954 1.00 0.00 O ATOM 140 CB ILE A 21 1.742 -1.807 -2.718 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.368 -1.036 -1.452 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.070 -1.315 -3.274 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.516 -0.883 -0.477 1.00 0.00 C ATOM 0 H ILE A 21 -0.614 -2.816 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 21 0.536 -0.619 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 21 1.848 -2.861 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.005 -0.047 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.545 -1.548 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.844 -1.420 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.339 -1.906 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.980 -0.266 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.179 -0.326 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.864 -1.868 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.332 -0.344 -0.958 1.00 0.00 H new ATOM 155 N ARG A 22 1.276 -1.796 -6.112 1.00 0.00 N ATOM 156 CA ARG A 22 1.656 -2.457 -7.355 1.00 0.00 C ATOM 157 C ARG A 22 3.136 -2.238 -7.651 1.00 0.00 C ATOM 158 O ARG A 22 3.792 -1.418 -7.009 1.00 0.00 O ATOM 159 CB ARG A 22 0.807 -1.935 -8.516 1.00 0.00 C ATOM 160 CG ARG A 22 -0.677 -1.854 -8.197 1.00 0.00 C ATOM 161 CD ARG A 22 -1.418 -3.092 -8.674 1.00 0.00 C ATOM 162 NE ARG A 22 -2.110 -2.862 -9.939 1.00 0.00 N ATOM 163 CZ ARG A 22 -3.176 -2.080 -10.063 1.00 0.00 C ATOM 164 NH1 ARG A 22 -3.669 -1.455 -9.002 1.00 0.00 N ATOM 165 NH2 ARG A 22 -3.751 -1.920 -11.247 1.00 0.00 N ATOM 0 H ARG A 22 1.232 -0.779 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 22 1.479 -3.526 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.164 -0.945 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.949 -2.584 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.813 -1.739 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.104 -0.969 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.712 -3.914 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.140 -3.397 -7.916 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.755 -3.328 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.229 -1.575 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.488 -0.855 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.375 -2.398 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.570 -1.319 -11.339 1.00 0.00 H new ATOM 179 N LYS A 23 3.658 -2.977 -8.625 1.00 0.00 N ATOM 180 CA LYS A 23 5.062 -2.860 -8.997 1.00 0.00 C ATOM 181 C LYS A 23 5.952 -2.926 -7.762 1.00 0.00 C ATOM 182 O LYS A 23 6.963 -2.230 -7.675 1.00 0.00 O ATOM 183 CB LYS A 23 5.307 -1.548 -9.745 1.00 0.00 C ATOM 184 CG LYS A 23 5.975 -1.733 -11.097 1.00 0.00 C ATOM 185 CD LYS A 23 7.454 -2.054 -10.950 1.00 0.00 C ATOM 186 CE LYS A 23 8.090 -2.376 -12.292 1.00 0.00 C ATOM 187 NZ LYS A 23 9.567 -2.537 -12.182 1.00 0.00 N ATOM 0 H LYS A 23 3.131 -3.661 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 23 5.311 -3.694 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.355 -1.037 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.928 -0.899 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.480 -2.537 -11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.856 -0.826 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.968 -1.206 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.578 -2.901 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.654 -3.292 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.863 -1.580 -13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.963 -2.756 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.987 -1.655 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.784 -3.313 -11.525 1.00 0.00 H new ATOM 201 N LEU A 24 5.566 -3.764 -6.807 1.00 0.00 N ATOM 202 CA LEU A 24 6.326 -3.918 -5.573 1.00 0.00 C ATOM 203 C LEU A 24 6.785 -5.358 -5.391 1.00 0.00 C ATOM 204 O LEU A 24 5.979 -6.287 -5.427 1.00 0.00 O ATOM 205 CB LEU A 24 5.479 -3.494 -4.371 1.00 0.00 C ATOM 206 CG LEU A 24 6.030 -3.925 -3.009 1.00 0.00 C ATOM 207 CD1 LEU A 24 6.903 -2.831 -2.417 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.896 -4.279 -2.059 1.00 0.00 C ATOM 0 H LEU A 24 4.731 -4.347 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 24 7.205 -3.278 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.380 -2.409 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.477 -3.906 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 24 6.644 -4.814 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.286 -3.155 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.738 -2.628 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.312 -1.924 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.309 -4.583 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.253 -3.410 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.312 -5.099 -2.478 1.00 0.00 H new ATOM 220 N PRO A 25 8.091 -5.558 -5.172 1.00 0.00 N ATOM 221 CA PRO A 25 8.656 -6.889 -4.963 1.00 0.00 C ATOM 222 C PRO A 25 8.264 -7.453 -3.605 1.00 0.00 C ATOM 223 O PRO A 25 9.066 -7.460 -2.672 1.00 0.00 O ATOM 224 CB PRO A 25 10.164 -6.651 -5.032 1.00 0.00 C ATOM 225 CG PRO A 25 10.341 -5.231 -4.618 1.00 0.00 C ATOM 226 CD PRO A 25 9.114 -4.500 -5.094 1.00 0.00 C ATOM 0 HA PRO A 25 8.300 -7.613 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.703 -7.327 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.546 -6.821 -6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.447 -5.151 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.243 -4.806 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.823 -3.711 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.278 -4.029 -6.063 1.00 0.00 H new ATOM 234 N ILE A 26 7.019 -7.915 -3.499 1.00 0.00 N ATOM 235 CA ILE A 26 6.512 -8.473 -2.251 1.00 0.00 C ATOM 236 C ILE A 26 7.612 -9.209 -1.501 1.00 0.00 C ATOM 237 O ILE A 26 8.593 -9.654 -2.098 1.00 0.00 O ATOM 238 CB ILE A 26 5.329 -9.426 -2.496 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.129 -8.650 -3.034 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.956 -10.153 -1.215 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.586 -7.627 -2.062 1.00 0.00 C ATOM 0 H ILE A 26 6.344 -7.913 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 26 6.162 -7.637 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 26 5.629 -10.167 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.417 -8.146 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.336 -9.353 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.118 -10.822 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.810 -10.732 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.673 -9.426 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.735 -7.114 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.267 -8.127 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.364 -6.901 -1.826 1.00 0.00 H new ATOM 253 N ASP A 27 7.455 -9.309 -0.189 1.00 0.00 N ATOM 254 CA ASP A 27 8.449 -9.959 0.650 1.00 0.00 C ATOM 255 C ASP A 27 9.521 -8.951 1.056 1.00 0.00 C ATOM 256 O ASP A 27 10.407 -9.258 1.853 1.00 0.00 O ATOM 257 CB ASP A 27 9.087 -11.142 -0.083 1.00 0.00 C ATOM 258 CG ASP A 27 9.758 -12.116 0.866 1.00 0.00 C ATOM 259 OD1 ASP A 27 9.984 -11.744 2.036 1.00 0.00 O ATOM 260 OD2 ASP A 27 10.057 -13.250 0.438 1.00 0.00 O ATOM 0 H ASP A 27 6.647 -8.947 0.317 1.00 0.00 H new ATOM 0 HA ASP A 27 7.956 -10.338 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.322 -11.666 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.822 -10.770 -0.797 1.00 0.00 H new ATOM 265 N VAL A 28 9.420 -7.738 0.508 1.00 0.00 N ATOM 266 CA VAL A 28 10.360 -6.677 0.817 1.00 0.00 C ATOM 267 C VAL A 28 10.325 -6.377 2.311 1.00 0.00 C ATOM 268 O VAL A 28 9.978 -7.247 3.110 1.00 0.00 O ATOM 269 CB VAL A 28 10.041 -5.412 -0.011 1.00 0.00 C ATOM 270 CG1 VAL A 28 8.955 -4.576 0.647 1.00 0.00 C ATOM 271 CG2 VAL A 28 11.300 -4.590 -0.259 1.00 0.00 C ATOM 0 H VAL A 28 8.691 -7.473 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 28 11.366 -7.003 0.552 1.00 0.00 H new ATOM 0 HB VAL A 28 9.659 -5.737 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.756 -3.694 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.044 -5.168 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.285 -4.265 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.048 -3.705 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.729 -4.284 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.026 -5.192 -0.806 1.00 0.00 H new ATOM 281 N THR A 29 10.688 -5.167 2.696 1.00 0.00 N ATOM 282 CA THR A 29 10.692 -4.806 4.106 1.00 0.00 C ATOM 283 C THR A 29 9.532 -3.889 4.465 1.00 0.00 C ATOM 284 O THR A 29 9.127 -3.034 3.676 1.00 0.00 O ATOM 285 CB THR A 29 12.013 -4.131 4.513 1.00 0.00 C ATOM 286 OG1 THR A 29 12.132 -2.857 3.869 1.00 0.00 O ATOM 287 CG2 THR A 29 13.205 -5.003 4.146 1.00 0.00 C ATOM 0 H THR A 29 10.981 -4.424 2.062 1.00 0.00 H new ATOM 0 HA THR A 29 10.582 -5.740 4.657 1.00 0.00 H new ATOM 0 HB THR A 29 12.004 -3.992 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.915 -2.860 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.127 -4.503 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.128 -5.960 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.215 -5.171 3.069 1.00 0.00 H new ATOM 295 N GLU A 30 9.009 -4.073 5.674 1.00 0.00 N ATOM 296 CA GLU A 30 7.899 -3.267 6.161 1.00 0.00 C ATOM 297 C GLU A 30 8.352 -1.836 6.421 1.00 0.00 C ATOM 298 O GLU A 30 7.603 -0.887 6.199 1.00 0.00 O ATOM 299 CB GLU A 30 7.325 -3.876 7.443 1.00 0.00 C ATOM 300 CG GLU A 30 7.066 -5.370 7.343 1.00 0.00 C ATOM 301 CD GLU A 30 8.234 -6.199 7.840 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.390 -5.767 7.652 1.00 0.00 O ATOM 303 OE2 GLU A 30 7.991 -7.280 8.416 1.00 0.00 O ATOM 0 H GLU A 30 9.339 -4.776 6.335 1.00 0.00 H new ATOM 0 HA GLU A 30 7.122 -3.253 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.016 -3.690 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.392 -3.370 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.176 -5.620 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.856 -5.630 6.305 1.00 0.00 H new ATOM 310 N GLY A 31 9.590 -1.689 6.883 1.00 0.00 N ATOM 311 CA GLY A 31 10.124 -0.369 7.154 1.00 0.00 C ATOM 312 C GLY A 31 10.000 0.548 5.955 1.00 0.00 C ATOM 313 O GLY A 31 9.846 1.761 6.103 1.00 0.00 O ATOM 0 H GLY A 31 10.231 -2.459 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.597 0.069 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.173 -0.453 7.440 1.00 0.00 H new ATOM 317 N GLU A 32 10.059 -0.036 4.763 1.00 0.00 N ATOM 318 CA GLU A 32 9.945 0.729 3.528 1.00 0.00 C ATOM 319 C GLU A 32 8.490 1.097 3.262 1.00 0.00 C ATOM 320 O GLU A 32 8.148 2.274 3.145 1.00 0.00 O ATOM 321 CB GLU A 32 10.506 -0.072 2.352 1.00 0.00 C ATOM 322 CG GLU A 32 11.895 0.371 1.923 1.00 0.00 C ATOM 323 CD GLU A 32 12.995 -0.299 2.723 1.00 0.00 C ATOM 324 OE1 GLU A 32 13.346 0.223 3.802 1.00 0.00 O ATOM 325 OE2 GLU A 32 13.505 -1.346 2.271 1.00 0.00 O ATOM 0 H GLU A 32 10.185 -1.039 4.627 1.00 0.00 H new ATOM 0 HA GLU A 32 10.524 1.646 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.538 -1.127 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.827 0.018 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.033 0.147 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.978 1.452 2.034 1.00 0.00 H new ATOM 332 N VAL A 33 7.635 0.083 3.172 1.00 0.00 N ATOM 333 CA VAL A 33 6.216 0.305 2.927 1.00 0.00 C ATOM 334 C VAL A 33 5.638 1.289 3.939 1.00 0.00 C ATOM 335 O VAL A 33 4.872 2.185 3.583 1.00 0.00 O ATOM 336 CB VAL A 33 5.420 -1.012 2.995 1.00 0.00 C ATOM 337 CG1 VAL A 33 3.968 -0.781 2.603 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.057 -2.069 2.106 1.00 0.00 C ATOM 0 H VAL A 33 7.900 -0.898 3.265 1.00 0.00 H new ATOM 0 HA VAL A 33 6.126 0.720 1.923 1.00 0.00 H new ATOM 0 HB VAL A 33 5.442 -1.374 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.422 -1.723 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.517 -0.061 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.923 -0.394 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.480 -2.992 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.070 -1.717 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.078 -2.256 2.438 1.00 0.00 H new ATOM 348 N ILE A 34 6.016 1.117 5.201 1.00 0.00 N ATOM 349 CA ILE A 34 5.548 1.986 6.266 1.00 0.00 C ATOM 350 C ILE A 34 6.208 3.358 6.168 1.00 0.00 C ATOM 351 O ILE A 34 5.538 4.388 6.253 1.00 0.00 O ATOM 352 CB ILE A 34 5.838 1.362 7.647 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.835 0.246 7.944 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.797 2.419 8.734 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.464 -1.127 8.019 1.00 0.00 C ATOM 0 H ILE A 34 6.649 0.379 5.509 1.00 0.00 H new ATOM 0 HA ILE A 34 4.470 2.104 6.155 1.00 0.00 H new ATOM 0 HB ILE A 34 6.840 0.934 7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.335 0.460 8.889 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.067 0.243 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.004 1.957 9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.548 3.182 8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.809 2.879 8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.694 -1.869 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.940 -1.362 7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.212 -1.142 8.812 1.00 0.00 H new ATOM 367 N SER A 35 7.524 3.366 5.982 1.00 0.00 N ATOM 368 CA SER A 35 8.267 4.615 5.865 1.00 0.00 C ATOM 369 C SER A 35 7.465 5.636 5.068 1.00 0.00 C ATOM 370 O SER A 35 7.517 6.835 5.341 1.00 0.00 O ATOM 371 CB SER A 35 9.619 4.370 5.194 1.00 0.00 C ATOM 372 OG SER A 35 9.855 5.311 4.161 1.00 0.00 O ATOM 0 H SER A 35 8.096 2.525 5.909 1.00 0.00 H new ATOM 0 HA SER A 35 8.440 5.009 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.414 4.434 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.647 3.361 4.784 1.00 0.00 H new ATOM 0 HG SER A 35 10.726 5.133 3.750 1.00 0.00 H new ATOM 378 N LEU A 36 6.717 5.146 4.084 1.00 0.00 N ATOM 379 CA LEU A 36 5.895 6.008 3.246 1.00 0.00 C ATOM 380 C LEU A 36 4.571 6.319 3.936 1.00 0.00 C ATOM 381 O LEU A 36 4.071 7.442 3.866 1.00 0.00 O ATOM 382 CB LEU A 36 5.635 5.343 1.893 1.00 0.00 C ATOM 383 CG LEU A 36 6.878 5.143 1.024 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.480 4.815 -0.408 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.760 6.380 1.064 1.00 0.00 C ATOM 0 H LEU A 36 6.664 4.155 3.848 1.00 0.00 H new ATOM 0 HA LEU A 36 6.433 6.942 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.170 4.372 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.916 5.947 1.340 1.00 0.00 H new ATOM 0 HG LEU A 36 7.447 4.303 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.377 4.676 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.888 3.900 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.890 5.634 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.640 6.220 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.201 7.238 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.073 6.571 2.091 1.00 0.00 H new ATOM 397 N GLY A 37 4.011 5.314 4.603 1.00 0.00 N ATOM 398 CA GLY A 37 2.751 5.499 5.300 1.00 0.00 C ATOM 399 C GLY A 37 2.902 6.341 6.552 1.00 0.00 C ATOM 400 O GLY A 37 1.919 6.861 7.080 1.00 0.00 O ATOM 0 H GLY A 37 4.407 4.376 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.034 5.974 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.340 4.525 5.567 1.00 0.00 H new ATOM 404 N LEU A 38 4.136 6.476 7.028 1.00 0.00 N ATOM 405 CA LEU A 38 4.411 7.262 8.225 1.00 0.00 C ATOM 406 C LEU A 38 3.697 8.608 8.165 1.00 0.00 C ATOM 407 O LEU A 38 2.860 8.918 9.014 1.00 0.00 O ATOM 408 CB LEU A 38 5.918 7.476 8.386 1.00 0.00 C ATOM 409 CG LEU A 38 6.542 6.794 9.603 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.700 7.044 10.846 1.00 0.00 C ATOM 411 CD2 LEU A 38 6.698 5.300 9.355 1.00 0.00 C ATOM 0 H LEU A 38 4.960 6.052 6.603 1.00 0.00 H new ATOM 0 HA LEU A 38 4.037 6.710 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.419 7.113 7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.113 8.547 8.449 1.00 0.00 H new ATOM 0 HG LEU A 38 7.531 7.221 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.160 6.551 11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.639 8.116 11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.697 6.645 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.144 4.830 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.720 4.859 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.342 5.140 8.491 1.00 0.00 H new ATOM 423 N PRO A 39 4.020 9.425 7.152 1.00 0.00 N ATOM 424 CA PRO A 39 3.407 10.745 6.972 1.00 0.00 C ATOM 425 C PRO A 39 1.921 10.648 6.648 1.00 0.00 C ATOM 426 O PRO A 39 1.138 11.530 7.003 1.00 0.00 O ATOM 427 CB PRO A 39 4.176 11.342 5.790 1.00 0.00 C ATOM 428 CG PRO A 39 4.722 10.166 5.056 1.00 0.00 C ATOM 429 CD PRO A 39 5.004 9.122 6.100 1.00 0.00 C ATOM 0 HA PRO A 39 3.465 11.348 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.522 11.937 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.975 12.001 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.007 9.799 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.630 10.431 4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.875 8.114 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.026 9.191 6.473 1.00 0.00 H new ATOM 437 N PHE A 40 1.539 9.568 5.975 1.00 0.00 N ATOM 438 CA PHE A 40 0.147 9.349 5.603 1.00 0.00 C ATOM 439 C PHE A 40 -0.722 9.196 6.845 1.00 0.00 C ATOM 440 O PHE A 40 -1.839 9.714 6.904 1.00 0.00 O ATOM 441 CB PHE A 40 0.026 8.104 4.722 1.00 0.00 C ATOM 442 CG PHE A 40 0.781 8.219 3.430 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.113 9.461 2.917 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.162 7.085 2.731 1.00 0.00 C ATOM 445 CE1 PHE A 40 1.811 9.573 1.730 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.859 7.189 1.542 1.00 0.00 C ATOM 447 CZ PHE A 40 2.185 8.435 1.041 1.00 0.00 C ATOM 0 H PHE A 40 2.176 8.829 5.676 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.200 10.216 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.393 7.239 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.026 7.921 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.823 10.354 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.912 6.109 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.064 10.548 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.148 6.298 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.731 8.519 0.113 1.00 0.00 H new ATOM 457 N GLY A 41 -0.201 8.485 7.838 1.00 0.00 N ATOM 458 CA GLY A 41 -0.936 8.277 9.069 1.00 0.00 C ATOM 459 C GLY A 41 -0.297 7.225 9.952 1.00 0.00 C ATOM 460 O GLY A 41 0.657 7.509 10.675 1.00 0.00 O ATOM 0 H GLY A 41 0.720 8.048 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.997 9.218 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.957 7.978 8.833 1.00 0.00 H new ATOM 464 N LYS A 42 -0.824 6.006 9.894 1.00 0.00 N ATOM 465 CA LYS A 42 -0.295 4.911 10.696 1.00 0.00 C ATOM 466 C LYS A 42 -0.519 3.572 10.004 1.00 0.00 C ATOM 467 O LYS A 42 -1.558 3.352 9.381 1.00 0.00 O ATOM 468 CB LYS A 42 -0.949 4.902 12.078 1.00 0.00 C ATOM 469 CG LYS A 42 -0.102 5.557 13.156 1.00 0.00 C ATOM 470 CD LYS A 42 -0.129 4.758 14.450 1.00 0.00 C ATOM 471 CE LYS A 42 1.218 4.116 14.737 1.00 0.00 C ATOM 472 NZ LYS A 42 2.214 5.109 15.228 1.00 0.00 N ATOM 0 H LYS A 42 -1.615 5.753 9.301 1.00 0.00 H new ATOM 0 HA LYS A 42 0.778 5.063 10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.909 5.415 12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.156 3.871 12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.926 5.650 12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.467 6.567 13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.405 5.412 15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.895 3.985 14.386 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.094 3.329 15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.595 3.642 13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.119 4.631 15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.352 5.847 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.867 5.543 16.107 1.00 0.00 H new ATOM 486 N VAL A 43 0.454 2.678 10.124 1.00 0.00 N ATOM 487 CA VAL A 43 0.349 1.360 9.514 1.00 0.00 C ATOM 488 C VAL A 43 -0.324 0.380 10.464 1.00 0.00 C ATOM 489 O VAL A 43 0.338 -0.383 11.168 1.00 0.00 O ATOM 490 CB VAL A 43 1.729 0.814 9.100 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.640 -0.666 8.757 1.00 0.00 C ATOM 492 CG2 VAL A 43 2.281 1.609 7.927 1.00 0.00 C ATOM 0 H VAL A 43 1.321 2.841 10.636 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.260 1.468 8.616 1.00 0.00 H new ATOM 0 HB VAL A 43 2.413 0.924 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.625 -1.032 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.288 -1.221 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.943 -0.807 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.256 1.212 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.599 1.530 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.384 2.656 8.213 1.00 0.00 H new ATOM 502 N THR A 44 -1.650 0.419 10.476 1.00 0.00 N ATOM 503 CA THR A 44 -2.444 -0.447 11.335 1.00 0.00 C ATOM 504 C THR A 44 -2.310 -1.911 10.927 1.00 0.00 C ATOM 505 O THR A 44 -2.801 -2.803 11.619 1.00 0.00 O ATOM 506 CB THR A 44 -3.926 -0.039 11.289 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.130 0.905 10.236 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.367 0.561 12.615 1.00 0.00 C ATOM 0 H THR A 44 -2.202 1.049 9.894 1.00 0.00 H new ATOM 0 HA THR A 44 -2.066 -0.333 12.351 1.00 0.00 H new ATOM 0 HB THR A 44 -4.525 -0.930 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.096 0.444 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.419 0.841 12.556 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.231 -0.173 13.410 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.768 1.445 12.831 1.00 0.00 H new ATOM 516 N ASN A 45 -1.643 -2.156 9.802 1.00 0.00 N ATOM 517 CA ASN A 45 -1.449 -3.517 9.313 1.00 0.00 C ATOM 518 C ASN A 45 -0.727 -3.524 7.969 1.00 0.00 C ATOM 519 O ASN A 45 -0.919 -2.631 7.143 1.00 0.00 O ATOM 520 CB ASN A 45 -2.796 -4.229 9.183 1.00 0.00 C ATOM 521 CG ASN A 45 -2.971 -5.329 10.212 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.033 -6.068 10.512 1.00 0.00 O ATOM 523 ND2 ASN A 45 -4.176 -5.443 10.758 1.00 0.00 N ATOM 0 H ASN A 45 -1.229 -1.432 9.214 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.829 -4.047 10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.600 -3.502 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.884 -4.654 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.353 -6.165 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.924 -4.808 10.479 1.00 0.00 H new ATOM 530 N LEU A 46 0.101 -4.544 7.756 1.00 0.00 N ATOM 531 CA LEU A 46 0.853 -4.679 6.512 1.00 0.00 C ATOM 532 C LEU A 46 0.815 -6.121 6.018 1.00 0.00 C ATOM 533 O LEU A 46 1.516 -6.985 6.543 1.00 0.00 O ATOM 534 CB LEU A 46 2.304 -4.234 6.713 1.00 0.00 C ATOM 535 CG LEU A 46 3.241 -4.527 5.539 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.549 -4.239 4.216 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.518 -3.709 5.663 1.00 0.00 C ATOM 0 H LEU A 46 0.268 -5.290 8.431 1.00 0.00 H new ATOM 0 HA LEU A 46 0.389 -4.039 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.315 -3.162 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.698 -4.724 7.603 1.00 0.00 H new ATOM 0 HG LEU A 46 3.504 -5.585 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.232 -4.454 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.663 -4.867 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.256 -3.190 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.174 -3.929 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.271 -2.647 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.025 -3.964 6.594 1.00 0.00 H new ATOM 549 N LEU A 47 -0.011 -6.375 5.008 1.00 0.00 N ATOM 550 CA LEU A 47 -0.142 -7.716 4.450 1.00 0.00 C ATOM 551 C LEU A 47 0.549 -7.822 3.095 1.00 0.00 C ATOM 552 O LEU A 47 0.040 -7.329 2.088 1.00 0.00 O ATOM 553 CB LEU A 47 -1.619 -8.089 4.310 1.00 0.00 C ATOM 554 CG LEU A 47 -1.888 -9.565 4.005 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.615 -9.865 2.539 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.041 -10.456 4.900 1.00 0.00 C ATOM 0 H LEU A 47 -0.598 -5.672 4.560 1.00 0.00 H new ATOM 0 HA LEU A 47 0.343 -8.411 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.134 -7.825 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.057 -7.484 3.516 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.939 -9.773 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.811 -10.919 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.264 -9.251 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.573 -9.641 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.245 -11.502 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.015 -10.246 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.285 -10.260 5.944 1.00 0.00 H new ATOM 568 N MET A 48 1.706 -8.475 3.076 1.00 0.00 N ATOM 569 CA MET A 48 2.463 -8.654 1.844 1.00 0.00 C ATOM 570 C MET A 48 2.051 -9.951 1.153 1.00 0.00 C ATOM 571 O MET A 48 2.495 -11.035 1.531 1.00 0.00 O ATOM 572 CB MET A 48 3.966 -8.673 2.134 1.00 0.00 C ATOM 573 CG MET A 48 4.382 -7.753 3.272 1.00 0.00 C ATOM 574 SD MET A 48 5.116 -6.213 2.689 1.00 0.00 S ATOM 575 CE MET A 48 6.672 -6.806 2.029 1.00 0.00 C ATOM 0 H MET A 48 2.140 -8.889 3.901 1.00 0.00 H new ATOM 0 HA MET A 48 2.245 -7.815 1.183 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.268 -9.693 2.374 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.505 -8.386 1.231 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.511 -7.526 3.887 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.096 -8.272 3.911 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.489 -6.205 2.428 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.815 -7.848 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.660 -6.727 0.942 1.00 0.00 H new ATOM 585 N LEU A 49 1.191 -9.834 0.145 1.00 0.00 N ATOM 586 CA LEU A 49 0.714 -11.001 -0.587 1.00 0.00 C ATOM 587 C LEU A 49 1.673 -11.381 -1.709 1.00 0.00 C ATOM 588 O LEU A 49 1.796 -10.665 -2.705 1.00 0.00 O ATOM 589 CB LEU A 49 -0.679 -10.734 -1.160 1.00 0.00 C ATOM 590 CG LEU A 49 -1.611 -11.946 -1.183 1.00 0.00 C ATOM 591 CD1 LEU A 49 -3.034 -11.531 -0.843 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.565 -12.627 -2.544 1.00 0.00 C ATOM 0 H LEU A 49 0.812 -8.945 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 49 0.661 -11.835 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.150 -9.943 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.571 -10.358 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.271 -12.657 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.683 -12.406 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.056 -11.087 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.385 -10.802 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.234 -13.488 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.880 -11.923 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.547 -12.959 -2.751 1.00 0.00 H new ATOM 604 N LYS A 50 2.342 -12.518 -1.546 1.00 0.00 N ATOM 605 CA LYS A 50 3.282 -13.001 -2.549 1.00 0.00 C ATOM 606 C LYS A 50 2.560 -13.278 -3.862 1.00 0.00 C ATOM 607 O LYS A 50 1.378 -12.966 -4.005 1.00 0.00 O ATOM 608 CB LYS A 50 3.984 -14.268 -2.055 1.00 0.00 C ATOM 609 CG LYS A 50 4.499 -14.163 -0.628 1.00 0.00 C ATOM 610 CD LYS A 50 5.581 -13.101 -0.502 1.00 0.00 C ATOM 611 CE LYS A 50 5.438 -12.309 0.789 1.00 0.00 C ATOM 612 NZ LYS A 50 5.623 -13.168 1.991 1.00 0.00 N ATOM 0 H LYS A 50 2.250 -13.121 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 50 4.033 -12.230 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.291 -15.106 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.820 -14.492 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.673 -13.923 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.896 -15.128 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.562 -13.575 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.528 -12.423 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.171 -11.502 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.452 -11.845 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.585 -12.579 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.867 -13.881 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.546 -13.644 1.939 1.00 0.00 H new ATOM 626 N GLY A 51 3.272 -13.862 -4.820 1.00 0.00 N ATOM 627 CA GLY A 51 2.671 -14.161 -6.106 1.00 0.00 C ATOM 628 C GLY A 51 2.064 -12.930 -6.750 1.00 0.00 C ATOM 629 O GLY A 51 1.101 -12.365 -6.234 1.00 0.00 O ATOM 0 H GLY A 51 4.251 -14.133 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.426 -14.582 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.900 -14.921 -5.978 1.00 0.00 H new ATOM 633 N LYS A 52 2.638 -12.510 -7.874 1.00 0.00 N ATOM 634 CA LYS A 52 2.160 -11.330 -8.589 1.00 0.00 C ATOM 635 C LYS A 52 2.851 -10.072 -8.074 1.00 0.00 C ATOM 636 O LYS A 52 2.911 -9.056 -8.765 1.00 0.00 O ATOM 637 CB LYS A 52 0.643 -11.191 -8.449 1.00 0.00 C ATOM 638 CG LYS A 52 -0.040 -10.672 -9.704 1.00 0.00 C ATOM 639 CD LYS A 52 -1.177 -11.584 -10.137 1.00 0.00 C ATOM 640 CE LYS A 52 -2.352 -10.788 -10.682 1.00 0.00 C ATOM 641 NZ LYS A 52 -1.908 -9.551 -11.381 1.00 0.00 N ATOM 0 H LYS A 52 3.437 -12.970 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 52 2.403 -11.454 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.220 -12.162 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.423 -10.517 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.426 -9.669 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.690 -10.591 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.820 -12.276 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.505 -12.186 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.923 -11.410 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.021 -10.522 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.603 -9.296 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.827 -8.774 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.983 -9.717 -11.827 1.00 0.00 H new ATOM 655 N ASN A 53 3.382 -10.154 -6.856 1.00 0.00 N ATOM 656 CA ASN A 53 4.080 -9.029 -6.246 1.00 0.00 C ATOM 657 C ASN A 53 3.123 -7.887 -5.922 1.00 0.00 C ATOM 658 O ASN A 53 3.240 -6.792 -6.472 1.00 0.00 O ATOM 659 CB ASN A 53 5.191 -8.535 -7.174 1.00 0.00 C ATOM 660 CG ASN A 53 6.524 -9.220 -6.917 1.00 0.00 C ATOM 661 OD1 ASN A 53 7.575 -8.714 -7.309 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.492 -10.380 -6.264 1.00 0.00 N ATOM 0 H ASN A 53 3.341 -10.990 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 53 4.518 -9.375 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.895 -8.704 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.311 -7.459 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.359 -10.882 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.600 -10.767 -5.955 1.00 0.00 H new ATOM 669 N GLN A 54 2.181 -8.148 -5.022 1.00 0.00 N ATOM 670 CA GLN A 54 1.210 -7.138 -4.620 1.00 0.00 C ATOM 671 C GLN A 54 1.023 -7.140 -3.105 1.00 0.00 C ATOM 672 O GLN A 54 0.740 -8.178 -2.506 1.00 0.00 O ATOM 673 CB GLN A 54 -0.131 -7.382 -5.313 1.00 0.00 C ATOM 674 CG GLN A 54 0.002 -8.005 -6.694 1.00 0.00 C ATOM 675 CD GLN A 54 0.219 -6.970 -7.781 1.00 0.00 C ATOM 676 OE1 GLN A 54 -0.369 -5.889 -7.751 1.00 0.00 O ATOM 677 NE2 GLN A 54 1.067 -7.298 -8.748 1.00 0.00 N ATOM 0 H GLN A 54 2.070 -9.049 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 54 1.591 -6.162 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.741 -8.033 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.663 -6.435 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.836 -8.707 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.897 -8.579 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.532 -8.206 -8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.254 -6.642 -9.507 1.00 0.00 H new ATOM 686 N ALA A 55 1.184 -5.972 -2.493 1.00 0.00 N ATOM 687 CA ALA A 55 1.033 -5.841 -1.049 1.00 0.00 C ATOM 688 C ALA A 55 -0.228 -5.059 -0.704 1.00 0.00 C ATOM 689 O ALA A 55 -0.770 -4.334 -1.539 1.00 0.00 O ATOM 690 CB ALA A 55 2.255 -5.169 -0.444 1.00 0.00 C ATOM 0 H ALA A 55 1.419 -5.104 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 55 0.941 -6.841 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.125 -5.080 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.141 -5.768 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.377 -4.177 -0.878 1.00 0.00 H new ATOM 696 N PHE A 56 -0.694 -5.216 0.529 1.00 0.00 N ATOM 697 CA PHE A 56 -1.896 -4.530 0.982 1.00 0.00 C ATOM 698 C PHE A 56 -1.757 -4.083 2.433 1.00 0.00 C ATOM 699 O PHE A 56 -1.645 -4.909 3.338 1.00 0.00 O ATOM 700 CB PHE A 56 -3.110 -5.449 0.835 1.00 0.00 C ATOM 701 CG PHE A 56 -3.093 -6.274 -0.421 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.067 -7.176 -0.666 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.107 -6.150 -1.358 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.055 -7.934 -1.822 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.099 -6.905 -2.514 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.071 -7.799 -2.746 1.00 0.00 C ATOM 0 H PHE A 56 -0.258 -5.812 1.232 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.036 -3.644 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.157 -6.115 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.017 -4.844 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.270 -7.287 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.914 -5.454 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.251 -8.632 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.895 -6.797 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.063 -8.391 -3.649 1.00 0.00 H new ATOM 716 N ILE A 57 -1.772 -2.771 2.648 1.00 0.00 N ATOM 717 CA ILE A 57 -1.656 -2.222 3.993 1.00 0.00 C ATOM 718 C ILE A 57 -2.942 -1.529 4.415 1.00 0.00 C ATOM 719 O ILE A 57 -3.589 -0.853 3.615 1.00 0.00 O ATOM 720 CB ILE A 57 -0.489 -1.223 4.108 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.851 0.111 3.453 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.763 -1.805 3.479 1.00 0.00 C ATOM 723 CD1 ILE A 57 0.155 1.209 3.724 1.00 0.00 C ATOM 0 H ILE A 57 -1.863 -2.072 1.911 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.461 -3.066 4.655 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.294 -1.039 5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.938 -0.034 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.830 0.429 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.581 -1.089 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.032 -2.728 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.577 -2.016 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.165 2.126 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.225 1.381 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.131 0.911 3.340 1.00 0.00 H new ATOM 735 N GLU A 58 -3.304 -1.702 5.678 1.00 0.00 N ATOM 736 CA GLU A 58 -4.514 -1.092 6.215 1.00 0.00 C ATOM 737 C GLU A 58 -4.187 0.218 6.921 1.00 0.00 C ATOM 738 O GLU A 58 -3.691 0.219 8.047 1.00 0.00 O ATOM 739 CB GLU A 58 -5.207 -2.051 7.185 1.00 0.00 C ATOM 740 CG GLU A 58 -6.447 -1.463 7.838 1.00 0.00 C ATOM 741 CD GLU A 58 -7.026 -2.369 8.908 1.00 0.00 C ATOM 742 OE1 GLU A 58 -6.887 -3.603 8.781 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.619 -1.842 9.873 1.00 0.00 O ATOM 0 H GLU A 58 -2.778 -2.260 6.351 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.188 -0.881 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.484 -2.959 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.500 -2.342 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.198 -0.498 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.203 -1.279 7.075 1.00 0.00 H new ATOM 750 N MET A 59 -4.467 1.331 6.254 1.00 0.00 N ATOM 751 CA MET A 59 -4.199 2.645 6.823 1.00 0.00 C ATOM 752 C MET A 59 -5.087 2.901 8.033 1.00 0.00 C ATOM 753 O MET A 59 -6.310 2.968 7.921 1.00 0.00 O ATOM 754 CB MET A 59 -4.407 3.742 5.775 1.00 0.00 C ATOM 755 CG MET A 59 -3.368 3.751 4.656 1.00 0.00 C ATOM 756 SD MET A 59 -1.812 2.955 5.108 1.00 0.00 S ATOM 757 CE MET A 59 -0.980 4.273 5.992 1.00 0.00 C ATOM 0 H MET A 59 -4.879 1.350 5.321 1.00 0.00 H new ATOM 0 HA MET A 59 -3.158 2.665 7.146 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.397 3.623 5.334 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.394 4.711 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.783 3.249 3.782 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.168 4.782 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.035 3.962 6.238 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.945 5.165 5.366 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.524 4.495 6.910 1.00 0.00 H new ATOM 767 N ASN A 60 -4.452 3.041 9.189 1.00 0.00 N ATOM 768 CA ASN A 60 -5.162 3.287 10.436 1.00 0.00 C ATOM 769 C ASN A 60 -6.406 4.133 10.207 1.00 0.00 C ATOM 770 O ASN A 60 -7.492 3.796 10.680 1.00 0.00 O ATOM 771 CB ASN A 60 -4.246 4.001 11.427 1.00 0.00 C ATOM 772 CG ASN A 60 -3.323 3.072 12.176 1.00 0.00 C ATOM 773 OD1 ASN A 60 -2.454 2.427 11.591 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.514 3.003 13.487 1.00 0.00 N ATOM 0 H ASN A 60 -3.438 2.988 9.288 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.467 2.322 10.840 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.649 4.738 10.890 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.858 4.548 12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.926 2.395 14.057 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.249 3.558 13.925 1.00 0.00 H new ATOM 781 N THR A 61 -6.242 5.241 9.496 1.00 0.00 N ATOM 782 CA THR A 61 -7.358 6.136 9.233 1.00 0.00 C ATOM 783 C THR A 61 -7.476 6.484 7.758 1.00 0.00 C ATOM 784 O THR A 61 -6.776 5.924 6.914 1.00 0.00 O ATOM 785 CB THR A 61 -7.229 7.433 10.044 1.00 0.00 C ATOM 786 OG1 THR A 61 -5.853 7.689 10.351 1.00 0.00 O ATOM 787 CG2 THR A 61 -8.030 7.330 11.326 1.00 0.00 C ATOM 0 H THR A 61 -5.353 5.539 9.094 1.00 0.00 H new ATOM 0 HA THR A 61 -8.258 5.602 9.537 1.00 0.00 H new ATOM 0 HB THR A 61 -7.619 8.257 9.447 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.782 8.519 10.867 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.931 8.256 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.080 7.162 11.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.656 6.498 11.923 1.00 0.00 H new ATOM 795 N GLU A 62 -8.380 7.409 7.458 1.00 0.00 N ATOM 796 CA GLU A 62 -8.609 7.834 6.087 1.00 0.00 C ATOM 797 C GLU A 62 -7.453 8.686 5.574 1.00 0.00 C ATOM 798 O GLU A 62 -6.830 8.362 4.563 1.00 0.00 O ATOM 799 CB GLU A 62 -9.920 8.616 5.985 1.00 0.00 C ATOM 800 CG GLU A 62 -11.155 7.767 6.239 1.00 0.00 C ATOM 801 CD GLU A 62 -12.114 7.766 5.064 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.377 8.855 4.512 1.00 0.00 O ATOM 803 OE2 GLU A 62 -12.601 6.676 4.695 1.00 0.00 O ATOM 0 H GLU A 62 -8.966 7.878 8.149 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.676 6.941 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.900 9.437 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.992 9.060 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.849 6.743 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.671 8.139 7.124 1.00 0.00 H new ATOM 810 N GLU A 63 -7.173 9.780 6.276 1.00 0.00 N ATOM 811 CA GLU A 63 -6.095 10.682 5.891 1.00 0.00 C ATOM 812 C GLU A 63 -4.886 9.905 5.381 1.00 0.00 C ATOM 813 O GLU A 63 -4.134 10.391 4.537 1.00 0.00 O ATOM 814 CB GLU A 63 -5.688 11.560 7.077 1.00 0.00 C ATOM 815 CG GLU A 63 -6.785 12.504 7.539 1.00 0.00 C ATOM 816 CD GLU A 63 -6.792 13.810 6.768 1.00 0.00 C ATOM 817 OE1 GLU A 63 -6.208 13.851 5.664 1.00 0.00 O ATOM 818 OE2 GLU A 63 -7.382 14.790 7.266 1.00 0.00 O ATOM 0 H GLU A 63 -7.679 10.063 7.115 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.460 11.317 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.397 10.920 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.810 12.144 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.752 12.014 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.656 12.714 8.601 1.00 0.00 H new ATOM 825 N ALA A 64 -4.704 8.695 5.900 1.00 0.00 N ATOM 826 CA ALA A 64 -3.584 7.853 5.496 1.00 0.00 C ATOM 827 C ALA A 64 -3.833 7.221 4.131 1.00 0.00 C ATOM 828 O ALA A 64 -3.034 7.378 3.208 1.00 0.00 O ATOM 829 CB ALA A 64 -3.331 6.776 6.540 1.00 0.00 C ATOM 0 H ALA A 64 -5.317 8.276 6.600 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.699 8.484 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.492 6.155 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.098 7.244 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.221 6.157 6.647 1.00 0.00 H new ATOM 835 N ALA A 65 -4.945 6.501 4.012 1.00 0.00 N ATOM 836 CA ALA A 65 -5.298 5.842 2.761 1.00 0.00 C ATOM 837 C ALA A 65 -5.318 6.830 1.598 1.00 0.00 C ATOM 838 O ALA A 65 -4.641 6.631 0.590 1.00 0.00 O ATOM 839 CB ALA A 65 -6.647 5.152 2.892 1.00 0.00 C ATOM 0 H ALA A 65 -5.616 6.360 4.767 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.535 5.093 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.899 4.664 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.599 4.407 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.411 5.890 3.134 1.00 0.00 H new ATOM 845 N ASN A 66 -6.103 7.893 1.743 1.00 0.00 N ATOM 846 CA ASN A 66 -6.215 8.909 0.702 1.00 0.00 C ATOM 847 C ASN A 66 -4.847 9.482 0.342 1.00 0.00 C ATOM 848 O ASN A 66 -4.327 9.235 -0.745 1.00 0.00 O ATOM 849 CB ASN A 66 -7.148 10.033 1.157 1.00 0.00 C ATOM 850 CG ASN A 66 -8.611 9.686 0.960 1.00 0.00 C ATOM 851 OD1 ASN A 66 -9.270 10.213 0.063 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.126 8.795 1.800 1.00 0.00 N ATOM 0 H ASN A 66 -6.671 8.073 2.571 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.632 8.435 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.967 10.248 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.915 10.942 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.105 8.522 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.542 8.384 2.528 1.00 0.00 H new ATOM 859 N THR A 67 -4.272 10.252 1.261 1.00 0.00 N ATOM 860 CA THR A 67 -2.967 10.862 1.035 1.00 0.00 C ATOM 861 C THR A 67 -2.004 9.878 0.380 1.00 0.00 C ATOM 862 O THR A 67 -1.220 10.248 -0.494 1.00 0.00 O ATOM 863 CB THR A 67 -2.347 11.368 2.351 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.077 12.501 2.835 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.887 11.748 2.150 1.00 0.00 C ATOM 0 H THR A 67 -4.688 10.468 2.167 1.00 0.00 H new ATOM 0 HA THR A 67 -3.127 11.709 0.367 1.00 0.00 H new ATOM 0 HB THR A 67 -2.400 10.563 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.678 12.219 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.470 12.102 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.327 10.876 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.816 12.538 1.402 1.00 0.00 H new ATOM 873 N MET A 68 -2.066 8.623 0.810 1.00 0.00 N ATOM 874 CA MET A 68 -1.198 7.585 0.268 1.00 0.00 C ATOM 875 C MET A 68 -1.215 7.597 -1.257 1.00 0.00 C ATOM 876 O MET A 68 -0.190 7.832 -1.897 1.00 0.00 O ATOM 877 CB MET A 68 -1.628 6.210 0.783 1.00 0.00 C ATOM 878 CG MET A 68 -0.689 5.087 0.377 1.00 0.00 C ATOM 879 SD MET A 68 -0.021 4.193 1.793 1.00 0.00 S ATOM 880 CE MET A 68 1.696 4.023 1.310 1.00 0.00 C ATOM 0 H MET A 68 -2.709 8.300 1.533 1.00 0.00 H new ATOM 0 HA MET A 68 -0.181 7.790 0.602 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.693 6.243 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.628 5.988 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.221 4.390 -0.270 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.133 5.500 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.912 2.976 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.884 4.622 0.419 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.338 4.367 2.121 1.00 0.00 H new ATOM 890 N VAL A 69 -2.384 7.337 -1.834 1.00 0.00 N ATOM 891 CA VAL A 69 -2.532 7.314 -3.283 1.00 0.00 C ATOM 892 C VAL A 69 -2.677 8.724 -3.848 1.00 0.00 C ATOM 893 O VAL A 69 -1.978 9.101 -4.789 1.00 0.00 O ATOM 894 CB VAL A 69 -3.755 6.477 -3.705 1.00 0.00 C ATOM 895 CG1 VAL A 69 -4.013 6.624 -5.197 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.557 5.016 -3.331 1.00 0.00 C ATOM 0 H VAL A 69 -3.242 7.139 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.628 6.858 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.629 6.849 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.880 6.026 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.203 7.671 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.141 6.280 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.431 4.441 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.672 4.628 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.426 4.931 -2.252 1.00 0.00 H new ATOM 906 N ASN A 70 -3.590 9.496 -3.270 1.00 0.00 N ATOM 907 CA ASN A 70 -3.831 10.863 -3.717 1.00 0.00 C ATOM 908 C ASN A 70 -2.519 11.612 -3.934 1.00 0.00 C ATOM 909 O ASN A 70 -2.388 12.390 -4.880 1.00 0.00 O ATOM 910 CB ASN A 70 -4.693 11.610 -2.697 1.00 0.00 C ATOM 911 CG ASN A 70 -5.765 12.455 -3.355 1.00 0.00 C ATOM 912 OD1 ASN A 70 -5.476 13.285 -4.217 1.00 0.00 O ATOM 913 ND2 ASN A 70 -7.013 12.248 -2.951 1.00 0.00 N ATOM 0 H ASN A 70 -4.176 9.198 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.360 10.815 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.162 10.891 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.056 12.248 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.777 12.787 -3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.208 11.550 -2.234 1.00 0.00 H new ATOM 920 N TYR A 71 -1.553 11.379 -3.052 1.00 0.00 N ATOM 921 CA TYR A 71 -0.255 12.038 -3.150 1.00 0.00 C ATOM 922 C TYR A 71 0.615 11.386 -4.220 1.00 0.00 C ATOM 923 O TYR A 71 1.056 12.045 -5.162 1.00 0.00 O ATOM 924 CB TYR A 71 0.465 11.997 -1.801 1.00 0.00 C ATOM 925 CG TYR A 71 1.866 12.566 -1.846 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.202 13.561 -2.756 1.00 0.00 C ATOM 927 CD2 TYR A 71 2.850 12.108 -0.980 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.482 14.083 -2.801 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.132 12.625 -1.019 1.00 0.00 C ATOM 930 CZ TYR A 71 4.442 13.611 -1.930 1.00 0.00 C ATOM 931 OH TYR A 71 5.717 14.129 -1.972 1.00 0.00 O ATOM 0 H TYR A 71 -1.644 10.740 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.428 13.076 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.121 12.553 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.512 10.965 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.452 13.932 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.610 11.335 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.729 14.856 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.886 12.258 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 71 6.271 13.690 -1.293 1.00 0.00 H new ATOM 941 N TYR A 72 0.861 10.089 -4.068 1.00 0.00 N ATOM 942 CA TYR A 72 1.682 9.351 -5.021 1.00 0.00 C ATOM 943 C TYR A 72 1.050 9.354 -6.410 1.00 0.00 C ATOM 944 O TYR A 72 1.689 8.978 -7.393 1.00 0.00 O ATOM 945 CB TYR A 72 1.890 7.912 -4.542 1.00 0.00 C ATOM 946 CG TYR A 72 2.803 7.800 -3.342 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.894 8.647 -3.192 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.572 6.848 -2.357 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.730 8.548 -2.096 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.403 6.743 -1.258 1.00 0.00 C ATOM 951 CZ TYR A 72 4.479 7.594 -1.132 1.00 0.00 C ATOM 952 OH TYR A 72 5.309 7.493 -0.038 1.00 0.00 O ATOM 0 H TYR A 72 0.504 9.528 -3.295 1.00 0.00 H new ATOM 0 HA TYR A 72 2.650 9.848 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.922 7.477 -4.293 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.304 7.322 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.092 9.396 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.729 6.179 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.575 9.213 -1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.210 5.997 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 72 5.685 8.374 0.170 1.00 0.00 H new ATOM 962 N THR A 73 -0.207 9.780 -6.484 1.00 0.00 N ATOM 963 CA THR A 73 -0.919 9.833 -7.754 1.00 0.00 C ATOM 964 C THR A 73 -0.003 10.315 -8.875 1.00 0.00 C ATOM 965 O THR A 73 -0.184 9.952 -10.037 1.00 0.00 O ATOM 966 CB THR A 73 -2.145 10.760 -7.674 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.836 10.556 -6.436 1.00 0.00 O ATOM 968 CG2 THR A 73 -3.094 10.505 -8.836 1.00 0.00 C ATOM 0 H THR A 73 -0.752 10.093 -5.680 1.00 0.00 H new ATOM 0 HA THR A 73 -1.255 8.819 -7.971 1.00 0.00 H new ATOM 0 HB THR A 73 -1.795 11.791 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.594 9.681 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.953 11.172 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.575 10.690 -9.777 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.435 9.470 -8.807 1.00 0.00 H new ATOM 976 N SER A 74 0.979 11.134 -8.516 1.00 0.00 N ATOM 977 CA SER A 74 1.925 11.668 -9.489 1.00 0.00 C ATOM 978 C SER A 74 3.341 11.187 -9.188 1.00 0.00 C ATOM 979 O SER A 74 4.065 10.755 -10.086 1.00 0.00 O ATOM 980 CB SER A 74 1.883 13.197 -9.489 1.00 0.00 C ATOM 981 OG SER A 74 3.014 13.740 -10.149 1.00 0.00 O ATOM 0 H SER A 74 1.141 11.443 -7.558 1.00 0.00 H new ATOM 0 HA SER A 74 1.637 11.305 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.972 13.539 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.847 13.563 -8.463 1.00 0.00 H new ATOM 0 HG SER A 74 2.962 14.719 -10.136 1.00 0.00 H new ATOM 987 N VAL A 75 3.729 11.262 -7.919 1.00 0.00 N ATOM 988 CA VAL A 75 5.057 10.833 -7.498 1.00 0.00 C ATOM 989 C VAL A 75 5.068 9.349 -7.148 1.00 0.00 C ATOM 990 O VAL A 75 4.204 8.869 -6.413 1.00 0.00 O ATOM 991 CB VAL A 75 5.548 11.639 -6.281 1.00 0.00 C ATOM 992 CG1 VAL A 75 6.997 11.303 -5.967 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.379 13.131 -6.525 1.00 0.00 C ATOM 0 H VAL A 75 3.142 11.616 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 75 5.729 11.012 -8.337 1.00 0.00 H new ATOM 0 HB VAL A 75 4.941 11.365 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.326 11.882 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.084 10.239 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.621 11.546 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.731 13.684 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.959 13.424 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.326 13.355 -6.695 1.00 0.00 H new ATOM 1003 N THR A 76 6.048 8.626 -7.678 1.00 0.00 N ATOM 1004 CA THR A 76 6.167 7.199 -7.423 1.00 0.00 C ATOM 1005 C THR A 76 7.174 6.925 -6.309 1.00 0.00 C ATOM 1006 O THR A 76 8.205 7.593 -6.216 1.00 0.00 O ATOM 1007 CB THR A 76 6.594 6.444 -8.701 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.445 6.155 -9.505 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.315 5.149 -8.360 1.00 0.00 C ATOM 0 H THR A 76 6.772 9.007 -8.288 1.00 0.00 H new ATOM 0 HA THR A 76 5.187 6.840 -7.110 1.00 0.00 H new ATOM 0 HB THR A 76 7.280 7.084 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.533 5.259 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.603 4.640 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.207 5.372 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.653 4.505 -7.781 1.00 0.00 H new ATOM 1017 N PRO A 77 6.895 5.928 -5.448 1.00 0.00 N ATOM 1018 CA PRO A 77 7.771 5.561 -4.355 1.00 0.00 C ATOM 1019 C PRO A 77 8.724 4.434 -4.738 1.00 0.00 C ATOM 1020 O PRO A 77 8.300 3.398 -5.250 1.00 0.00 O ATOM 1021 CB PRO A 77 6.787 5.090 -3.278 1.00 0.00 C ATOM 1022 CG PRO A 77 5.489 4.810 -3.988 1.00 0.00 C ATOM 1023 CD PRO A 77 5.712 5.068 -5.456 1.00 0.00 C ATOM 0 HA PRO A 77 8.415 6.382 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.157 4.196 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.654 5.853 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.176 3.779 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.695 5.450 -3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.885 4.145 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.855 5.560 -5.917 1.00 0.00 H new ATOM 1031 N VAL A 78 10.013 4.641 -4.489 1.00 0.00 N ATOM 1032 CA VAL A 78 11.019 3.637 -4.813 1.00 0.00 C ATOM 1033 C VAL A 78 11.704 3.112 -3.560 1.00 0.00 C ATOM 1034 O VAL A 78 11.870 3.831 -2.576 1.00 0.00 O ATOM 1035 CB VAL A 78 12.099 4.198 -5.759 1.00 0.00 C ATOM 1036 CG1 VAL A 78 12.883 3.071 -6.419 1.00 0.00 C ATOM 1037 CG2 VAL A 78 11.472 5.108 -6.805 1.00 0.00 C ATOM 0 H VAL A 78 10.384 5.491 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 78 10.490 2.824 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 78 12.798 4.789 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.639 3.493 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.369 2.468 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.203 2.445 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.249 5.495 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.747 4.543 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.969 5.939 -6.310 1.00 0.00 H new ATOM 1047 N LEU A 79 12.116 1.855 -3.622 1.00 0.00 N ATOM 1048 CA LEU A 79 12.807 1.213 -2.514 1.00 0.00 C ATOM 1049 C LEU A 79 14.236 0.897 -2.926 1.00 0.00 C ATOM 1050 O LEU A 79 14.467 0.006 -3.739 1.00 0.00 O ATOM 1051 CB LEU A 79 12.075 -0.071 -2.101 1.00 0.00 C ATOM 1052 CG LEU A 79 12.950 -1.160 -1.467 1.00 0.00 C ATOM 1053 CD1 LEU A 79 13.602 -2.019 -2.541 1.00 0.00 C ATOM 1054 CD2 LEU A 79 14.004 -0.544 -0.560 1.00 0.00 C ATOM 0 H LEU A 79 11.982 1.255 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 79 12.820 1.889 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.287 0.193 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.588 -0.489 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 79 12.310 -1.800 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.218 -2.785 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.829 -2.495 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.226 -1.393 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.613 -1.334 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.640 0.123 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.516 0.021 0.234 1.00 0.00 H new ATOM 1066 N ARG A 80 15.192 1.641 -2.377 1.00 0.00 N ATOM 1067 CA ARG A 80 16.597 1.439 -2.711 1.00 0.00 C ATOM 1068 C ARG A 80 16.841 1.722 -4.190 1.00 0.00 C ATOM 1069 O ARG A 80 17.602 2.622 -4.546 1.00 0.00 O ATOM 1070 CB ARG A 80 17.026 0.010 -2.375 1.00 0.00 C ATOM 1071 CG ARG A 80 17.568 -0.148 -0.964 1.00 0.00 C ATOM 1072 CD ARG A 80 18.615 -1.249 -0.889 1.00 0.00 C ATOM 1073 NE ARG A 80 19.662 -0.944 0.083 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.836 -1.564 0.119 1.00 0.00 C ATOM 1075 NH1 ARG A 80 21.111 -2.517 -0.762 1.00 0.00 N ATOM 1076 NH2 ARG A 80 21.736 -1.230 1.032 1.00 0.00 N ATOM 0 H ARG A 80 15.020 2.386 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 80 17.192 2.134 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.173 -0.656 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.789 -0.308 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.005 0.794 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.749 -0.376 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.134 -2.189 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.063 -1.390 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 80 19.481 -0.214 0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.421 -2.774 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.013 -2.993 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.528 -0.496 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.637 -1.707 1.058 1.00 0.00 H new ATOM 1090 N GLY A 81 16.180 0.949 -5.042 1.00 0.00 N ATOM 1091 CA GLY A 81 16.318 1.120 -6.470 1.00 0.00 C ATOM 1092 C GLY A 81 15.212 0.432 -7.245 1.00 0.00 C ATOM 1093 O GLY A 81 15.386 0.082 -8.412 1.00 0.00 O ATOM 0 H GLY A 81 15.546 0.201 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.316 2.184 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.282 0.724 -6.789 1.00 0.00 H new ATOM 1097 N GLN A 82 14.069 0.241 -6.594 1.00 0.00 N ATOM 1098 CA GLN A 82 12.925 -0.405 -7.226 1.00 0.00 C ATOM 1099 C GLN A 82 11.673 0.451 -7.070 1.00 0.00 C ATOM 1100 O GLN A 82 11.141 0.595 -5.970 1.00 0.00 O ATOM 1101 CB GLN A 82 12.692 -1.788 -6.615 1.00 0.00 C ATOM 1102 CG GLN A 82 12.212 -2.823 -7.620 1.00 0.00 C ATOM 1103 CD GLN A 82 13.321 -3.753 -8.072 1.00 0.00 C ATOM 1104 OE1 GLN A 82 14.497 -3.388 -8.061 1.00 0.00 O ATOM 1105 NE2 GLN A 82 12.952 -4.964 -8.474 1.00 0.00 N ATOM 0 H GLN A 82 13.911 0.525 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 82 13.139 -0.519 -8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.620 -2.137 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.958 -1.703 -5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.408 -3.410 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.793 -2.314 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.966 -5.225 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.655 -5.633 -8.790 1.00 0.00 H new ATOM 1114 N PRO A 83 11.188 1.039 -8.174 1.00 0.00 N ATOM 1115 CA PRO A 83 9.996 1.892 -8.156 1.00 0.00 C ATOM 1116 C PRO A 83 8.729 1.112 -7.825 1.00 0.00 C ATOM 1117 O PRO A 83 8.120 0.497 -8.701 1.00 0.00 O ATOM 1118 CB PRO A 83 9.927 2.448 -9.581 1.00 0.00 C ATOM 1119 CG PRO A 83 10.683 1.470 -10.411 1.00 0.00 C ATOM 1120 CD PRO A 83 11.767 0.923 -9.524 1.00 0.00 C ATOM 0 HA PRO A 83 10.063 2.664 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.895 2.539 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.371 3.442 -9.639 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.030 0.673 -10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.106 1.951 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.007 -0.111 -9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.690 1.495 -9.617 1.00 0.00 H new ATOM 1128 N ILE A 84 8.338 1.145 -6.556 1.00 0.00 N ATOM 1129 CA ILE A 84 7.140 0.444 -6.109 1.00 0.00 C ATOM 1130 C ILE A 84 5.969 1.412 -5.964 1.00 0.00 C ATOM 1131 O ILE A 84 5.939 2.237 -5.051 1.00 0.00 O ATOM 1132 CB ILE A 84 7.382 -0.286 -4.772 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.412 0.704 -3.605 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.683 -1.071 -4.834 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.990 0.119 -2.331 1.00 0.00 C ATOM 0 H ILE A 84 8.832 1.649 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 84 6.895 -0.299 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 84 6.558 -0.979 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.998 1.576 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.398 1.052 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.845 -1.583 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.627 -1.805 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.511 -0.388 -5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.980 0.875 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.390 -0.736 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.015 -0.204 -2.511 1.00 0.00 H new ATOM 1147 N TYR A 85 5.014 1.312 -6.884 1.00 0.00 N ATOM 1148 CA TYR A 85 3.844 2.184 -6.876 1.00 0.00 C ATOM 1149 C TYR A 85 2.854 1.782 -5.788 1.00 0.00 C ATOM 1150 O TYR A 85 2.799 0.623 -5.377 1.00 0.00 O ATOM 1151 CB TYR A 85 3.153 2.154 -8.241 1.00 0.00 C ATOM 1152 CG TYR A 85 3.937 2.847 -9.333 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.216 2.421 -9.673 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.398 3.924 -10.024 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.934 3.053 -10.671 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.111 4.560 -11.024 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.378 4.120 -11.342 1.00 0.00 C ATOM 1158 OH TYR A 85 6.090 4.750 -12.337 1.00 0.00 O ATOM 0 H TYR A 85 5.028 0.634 -7.646 1.00 0.00 H new ATOM 0 HA TYR A 85 4.188 3.197 -6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.983 1.117 -8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.174 2.625 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.655 1.584 -9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.406 4.271 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.927 2.712 -10.924 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.678 5.396 -11.552 1.00 0.00 H new ATOM 0 HH TYR A 85 5.555 5.481 -12.710 1.00 0.00 H new ATOM 1168 N ILE A 86 2.072 2.754 -5.327 1.00 0.00 N ATOM 1169 CA ILE A 86 1.080 2.521 -4.292 1.00 0.00 C ATOM 1170 C ILE A 86 -0.297 2.996 -4.752 1.00 0.00 C ATOM 1171 O ILE A 86 -0.526 4.195 -4.917 1.00 0.00 O ATOM 1172 CB ILE A 86 1.474 3.245 -2.986 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.559 2.459 -2.250 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.264 3.449 -2.091 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.583 3.342 -1.570 1.00 0.00 C ATOM 0 H ILE A 86 2.110 3.717 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 86 1.038 1.449 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 86 1.870 4.227 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.090 1.818 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.067 1.805 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.569 3.961 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.478 4.052 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.168 2.481 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.323 2.720 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.078 3.965 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.086 3.978 -0.838 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.210 2.053 -4.959 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.560 2.382 -5.401 1.00 0.00 C ATOM 1189 C GLN A 87 -3.604 1.792 -4.461 1.00 0.00 C ATOM 1190 O GLN A 87 -3.295 0.937 -3.631 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.791 1.870 -6.824 1.00 0.00 C ATOM 1192 CG GLN A 87 -1.763 2.372 -7.826 1.00 0.00 C ATOM 1193 CD GLN A 87 -2.373 2.697 -9.175 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -3.593 2.792 -9.311 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.525 2.869 -10.182 1.00 0.00 N ATOM 0 H GLN A 87 -1.040 1.056 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.663 3.467 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.776 0.780 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.785 2.173 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.277 3.263 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.988 1.617 -7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.521 2.781 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.877 3.089 -11.114 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.843 2.254 -4.595 1.00 0.00 N ATOM 1205 CA PHE A 88 -5.935 1.772 -3.758 1.00 0.00 C ATOM 1206 C PHE A 88 -6.159 0.278 -3.966 1.00 0.00 C ATOM 1207 O PHE A 88 -5.494 -0.352 -4.788 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.222 2.540 -4.068 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.130 4.010 -3.770 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.042 4.461 -2.463 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.134 4.939 -4.797 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.958 5.811 -2.186 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.051 6.292 -4.526 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.962 6.729 -3.218 1.00 0.00 C ATOM 0 H PHE A 88 -5.116 2.962 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.663 1.940 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.471 2.406 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.040 2.111 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.039 3.748 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.203 4.603 -5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.889 6.149 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.056 7.007 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.896 7.785 -3.003 1.00 0.00 H new