USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 588 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.25 K(o=-2.3,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -137:sc= -0.222 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -8.9! C(o=-8.9!,f=-25!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.32) USER MOD Single : A 40 SER OG : rot -130:sc=-0.00596 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -8.21! C(o=-8.2!,f=-14!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.609 X(o=-0.61,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.21) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.35) USER MOD Single : A 66 TYR OH : rot 100:sc= -0.579! USER MOD Single : A 67 ASN : amide:sc= -0.0189 X(o=-0.019,f=0.074) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.656 -12.812 -7.676 1.00 0.00 N ATOM 60 CA GLY A 7 6.691 -11.863 -7.147 1.00 0.00 C ATOM 61 C GLY A 7 7.293 -11.053 -5.997 1.00 0.00 C ATOM 62 O GLY A 7 7.979 -11.603 -5.138 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.366 -11.189 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.806 -12.395 -6.798 1.00 0.00 H new ATOM 66 N LEU A 8 7.015 -9.757 -6.019 1.00 0.00 N ATOM 67 CA LEU A 8 7.520 -8.866 -4.989 1.00 0.00 C ATOM 68 C LEU A 8 6.495 -8.769 -3.857 1.00 0.00 C ATOM 69 O LEU A 8 5.310 -8.552 -4.104 1.00 0.00 O ATOM 70 CB LEU A 8 7.901 -7.512 -5.591 1.00 0.00 C ATOM 71 CG LEU A 8 8.440 -6.469 -4.611 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.700 -5.799 -5.162 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.361 -5.449 -4.246 1.00 0.00 C ATOM 0 H LEU A 8 6.446 -9.303 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 8 8.437 -9.266 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.653 -7.679 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.023 -7.097 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 8 8.723 -6.980 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.063 -5.062 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.470 -6.553 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.466 -5.305 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.771 -4.719 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.023 -4.938 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.518 -5.961 -3.782 1.00 0.00 H new ATOM 85 N GLU A 9 6.989 -8.934 -2.639 1.00 0.00 N ATOM 86 CA GLU A 9 6.131 -8.868 -1.468 1.00 0.00 C ATOM 87 C GLU A 9 6.031 -7.427 -0.964 1.00 0.00 C ATOM 88 O GLU A 9 6.973 -6.649 -1.107 1.00 0.00 O ATOM 89 CB GLU A 9 6.636 -9.800 -0.365 1.00 0.00 C ATOM 90 CG GLU A 9 5.582 -9.977 0.729 1.00 0.00 C ATOM 91 CD GLU A 9 6.129 -10.810 1.890 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.954 -11.705 1.606 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.711 -10.532 3.035 1.00 0.00 O ATOM 0 H GLU A 9 7.973 -9.113 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 9 5.134 -9.203 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.889 -10.771 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.550 -9.394 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.266 -9.000 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.699 -10.463 0.313 1.00 0.00 H new ATOM 100 N VAL A 10 4.881 -7.115 -0.385 1.00 0.00 N ATOM 101 CA VAL A 10 4.646 -5.781 0.141 1.00 0.00 C ATOM 102 C VAL A 10 3.710 -5.871 1.348 1.00 0.00 C ATOM 103 O VAL A 10 2.627 -6.447 1.257 1.00 0.00 O ATOM 104 CB VAL A 10 4.108 -4.870 -0.965 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.951 -3.433 -0.463 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.005 -4.923 -2.203 1.00 0.00 C ATOM 0 H VAL A 10 4.102 -7.763 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 10 5.580 -5.336 0.485 1.00 0.00 H new ATOM 0 HB VAL A 10 3.121 -5.235 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.567 -2.806 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.254 -3.414 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.920 -3.053 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.600 -4.267 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.010 -4.595 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.044 -5.945 -2.580 1.00 0.00 H new ATOM 116 N LEU A 11 4.162 -5.293 2.451 1.00 0.00 N ATOM 117 CA LEU A 11 3.379 -5.301 3.675 1.00 0.00 C ATOM 118 C LEU A 11 2.715 -3.935 3.859 1.00 0.00 C ATOM 119 O LEU A 11 3.189 -2.933 3.326 1.00 0.00 O ATOM 120 CB LEU A 11 4.245 -5.729 4.862 1.00 0.00 C ATOM 121 CG LEU A 11 4.728 -7.181 4.851 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.620 -7.452 3.638 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.425 -7.537 6.166 1.00 0.00 C ATOM 0 H LEU A 11 5.061 -4.816 2.523 1.00 0.00 H new ATOM 0 HA LEU A 11 2.579 -6.039 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.118 -5.077 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.679 -5.562 5.778 1.00 0.00 H new ATOM 0 HG LEU A 11 3.857 -7.830 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.950 -8.491 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.058 -7.264 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.489 -6.795 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.758 -8.574 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.286 -6.884 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.728 -7.407 6.994 1.00 0.00 H new ATOM 135 N VAL A 12 1.628 -3.939 4.616 1.00 0.00 N ATOM 136 CA VAL A 12 0.893 -2.712 4.877 1.00 0.00 C ATOM 137 C VAL A 12 0.445 -2.693 6.340 1.00 0.00 C ATOM 138 O VAL A 12 -0.335 -3.543 6.765 1.00 0.00 O ATOM 139 CB VAL A 12 -0.271 -2.580 3.894 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.296 -1.559 4.392 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.231 -2.216 2.495 1.00 0.00 C ATOM 0 H VAL A 12 1.238 -4.772 5.057 1.00 0.00 H new ATOM 0 HA VAL A 12 1.532 -1.843 4.721 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.767 -3.549 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.113 -1.484 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.689 -1.879 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.817 -0.586 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.617 -2.128 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.763 -1.266 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.904 -2.994 2.136 1.00 0.00 H new ATOM 151 N LYS A 13 0.959 -1.714 7.070 1.00 0.00 N ATOM 152 CA LYS A 13 0.622 -1.572 8.476 1.00 0.00 C ATOM 153 C LYS A 13 -0.269 -0.342 8.661 1.00 0.00 C ATOM 154 O LYS A 13 0.169 0.785 8.435 1.00 0.00 O ATOM 155 CB LYS A 13 1.890 -1.548 9.332 1.00 0.00 C ATOM 156 CG LYS A 13 1.551 -1.335 10.808 1.00 0.00 C ATOM 157 CD LYS A 13 2.817 -1.344 11.668 1.00 0.00 C ATOM 158 CE LYS A 13 2.474 -1.533 13.147 1.00 0.00 C ATOM 159 NZ LYS A 13 3.686 -1.380 13.983 1.00 0.00 N ATOM 0 H LYS A 13 1.607 -1.011 6.714 1.00 0.00 H new ATOM 0 HA LYS A 13 0.051 -2.434 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.432 -2.486 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.550 -0.752 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.030 -0.386 10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.872 -2.118 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.479 -2.145 11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.359 -0.408 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.722 -0.803 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.040 -2.521 13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.436 -1.511 14.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.391 -2.093 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.084 -0.429 13.847 1.00 0.00 H new ATOM 173 N THR A 14 -1.502 -0.600 9.071 1.00 0.00 N ATOM 174 CA THR A 14 -2.458 0.473 9.289 1.00 0.00 C ATOM 175 C THR A 14 -2.235 1.115 10.660 1.00 0.00 C ATOM 176 O THR A 14 -1.198 0.905 11.287 1.00 0.00 O ATOM 177 CB THR A 14 -3.864 -0.103 9.109 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.102 -0.821 10.316 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.922 -1.175 8.019 1.00 0.00 C ATOM 0 H THR A 14 -1.861 -1.536 9.258 1.00 0.00 H new ATOM 0 HA THR A 14 -2.325 1.276 8.564 1.00 0.00 H new ATOM 0 HB THR A 14 -4.557 0.701 8.864 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.994 -1.226 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.942 -1.551 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.612 -0.743 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.254 -1.996 8.280 1.00 0.00 H new ATOM 187 N LEU A 15 -3.226 1.884 11.086 1.00 0.00 N ATOM 188 CA LEU A 15 -3.152 2.558 12.371 1.00 0.00 C ATOM 189 C LEU A 15 -3.847 1.702 13.431 1.00 0.00 C ATOM 190 O LEU A 15 -4.665 2.204 14.201 1.00 0.00 O ATOM 191 CB LEU A 15 -3.710 3.979 12.264 1.00 0.00 C ATOM 192 CG LEU A 15 -2.952 4.929 11.334 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.861 5.440 10.215 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.314 6.074 12.123 1.00 0.00 C ATOM 0 H LEU A 15 -4.085 2.055 10.564 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.114 2.671 12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.744 3.917 11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.728 4.417 13.262 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.142 4.373 10.862 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.298 6.113 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.227 4.596 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.706 5.975 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.781 6.735 11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.091 6.637 12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.614 5.667 12.853 1.00 0.00 H new ATOM 206 N ASP A 16 -3.496 0.425 13.438 1.00 0.00 N ATOM 207 CA ASP A 16 -4.076 -0.506 14.392 1.00 0.00 C ATOM 208 C ASP A 16 -3.196 -1.753 14.481 1.00 0.00 C ATOM 209 O ASP A 16 -3.691 -2.850 14.734 1.00 0.00 O ATOM 210 CB ASP A 16 -5.475 -0.944 13.953 1.00 0.00 C ATOM 211 CG ASP A 16 -6.509 -1.030 15.077 1.00 0.00 C ATOM 212 OD1 ASP A 16 -7.036 0.042 15.446 1.00 0.00 O ATOM 213 OD2 ASP A 16 -6.749 -2.165 15.542 1.00 0.00 O ATOM 0 H ASP A 16 -2.817 0.012 12.798 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.142 -0.003 15.357 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.838 -0.246 13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.400 -1.920 13.474 1.00 0.00 H new ATOM 218 N SER A 17 -1.905 -1.544 14.268 1.00 0.00 N ATOM 219 CA SER A 17 -0.950 -2.638 14.321 1.00 0.00 C ATOM 220 C SER A 17 -1.514 -3.861 13.594 1.00 0.00 C ATOM 221 O SER A 17 -1.768 -4.893 14.212 1.00 0.00 O ATOM 222 CB SER A 17 -0.602 -2.996 15.768 1.00 0.00 C ATOM 223 OG SER A 17 0.705 -3.551 15.880 1.00 0.00 O ATOM 0 H SER A 17 -1.498 -0.633 14.058 1.00 0.00 H new ATOM 0 HA SER A 17 -0.035 -2.317 13.824 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.671 -2.103 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.333 -3.708 16.151 1.00 0.00 H new ATOM 0 HG SER A 17 0.890 -3.765 16.818 1.00 0.00 H new ATOM 229 N GLN A 18 -1.695 -3.703 12.291 1.00 0.00 N ATOM 230 CA GLN A 18 -2.224 -4.781 11.472 1.00 0.00 C ATOM 231 C GLN A 18 -1.445 -4.883 10.160 1.00 0.00 C ATOM 232 O GLN A 18 -1.831 -4.286 9.156 1.00 0.00 O ATOM 233 CB GLN A 18 -3.719 -4.585 11.209 1.00 0.00 C ATOM 234 CG GLN A 18 -4.555 -5.110 12.378 1.00 0.00 C ATOM 235 CD GLN A 18 -5.811 -5.824 11.877 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.946 -7.034 11.967 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.720 -5.012 11.345 1.00 0.00 N ATOM 0 H GLN A 18 -1.485 -2.845 11.782 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.103 -5.718 12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.929 -3.527 11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.002 -5.104 10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.957 -5.796 12.978 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.838 -4.282 13.028 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.544 -4.008 11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.594 -5.393 10.981 1.00 0.00 H new ATOM 246 N THR A 19 -0.361 -5.643 10.210 1.00 0.00 N ATOM 247 CA THR A 19 0.476 -5.831 9.037 1.00 0.00 C ATOM 248 C THR A 19 -0.070 -6.966 8.168 1.00 0.00 C ATOM 249 O THR A 19 -0.428 -8.026 8.678 1.00 0.00 O ATOM 250 CB THR A 19 1.911 -6.068 9.514 1.00 0.00 C ATOM 251 OG1 THR A 19 2.238 -4.882 10.233 1.00 0.00 O ATOM 252 CG2 THR A 19 2.915 -6.093 8.359 1.00 0.00 C ATOM 0 H THR A 19 -0.043 -6.136 11.044 1.00 0.00 H new ATOM 0 HA THR A 19 0.471 -4.946 8.401 1.00 0.00 H new ATOM 0 HB THR A 19 1.962 -7.010 10.059 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.152 -4.951 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.917 -6.264 8.752 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.654 -6.894 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.889 -5.138 7.834 1.00 0.00 H new ATOM 260 N ARG A 20 -0.118 -6.703 6.870 1.00 0.00 N ATOM 261 CA ARG A 20 -0.615 -7.689 5.926 1.00 0.00 C ATOM 262 C ARG A 20 0.349 -7.825 4.745 1.00 0.00 C ATOM 263 O ARG A 20 0.598 -6.858 4.028 1.00 0.00 O ATOM 264 CB ARG A 20 -2.000 -7.302 5.403 1.00 0.00 C ATOM 265 CG ARG A 20 -3.092 -7.697 6.398 1.00 0.00 C ATOM 266 CD ARG A 20 -4.307 -6.775 6.274 1.00 0.00 C ATOM 267 NE ARG A 20 -5.056 -6.751 7.551 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.266 -6.195 7.701 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.871 -5.615 6.656 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.870 -6.220 8.897 1.00 0.00 N ATOM 0 H ARG A 20 0.179 -5.822 6.450 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.691 -8.642 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.038 -6.227 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.181 -7.791 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.395 -8.729 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.698 -7.651 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.984 -5.767 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.955 -7.120 5.469 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.624 -7.185 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.411 -5.597 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.792 -5.192 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.409 -6.662 9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.791 -5.797 9.012 1.00 0.00 H new ATOM 284 N THR A 21 0.864 -9.035 4.579 1.00 0.00 N ATOM 285 CA THR A 21 1.794 -9.310 3.498 1.00 0.00 C ATOM 286 C THR A 21 1.042 -9.475 2.176 1.00 0.00 C ATOM 287 O THR A 21 0.028 -10.169 2.117 1.00 0.00 O ATOM 288 CB THR A 21 2.619 -10.540 3.885 1.00 0.00 C ATOM 289 OG1 THR A 21 3.811 -9.996 4.444 1.00 0.00 O ATOM 290 CG2 THR A 21 3.104 -11.327 2.666 1.00 0.00 C ATOM 0 H THR A 21 0.654 -9.835 5.175 1.00 0.00 H new ATOM 0 HA THR A 21 2.479 -8.476 3.344 1.00 0.00 H new ATOM 0 HB THR A 21 2.022 -11.192 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.586 -10.495 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.684 -12.189 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.245 -11.668 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.729 -10.686 2.044 1.00 0.00 H new ATOM 298 N PHE A 22 1.567 -8.825 1.148 1.00 0.00 N ATOM 299 CA PHE A 22 0.958 -8.891 -0.170 1.00 0.00 C ATOM 300 C PHE A 22 2.003 -9.205 -1.242 1.00 0.00 C ATOM 301 O PHE A 22 3.116 -8.683 -1.201 1.00 0.00 O ATOM 302 CB PHE A 22 0.353 -7.514 -0.452 1.00 0.00 C ATOM 303 CG PHE A 22 -0.857 -7.175 0.421 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.979 -7.941 0.355 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.810 -6.108 1.263 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.102 -7.626 1.165 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.933 -5.794 2.073 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.055 -6.559 2.008 1.00 0.00 C ATOM 0 H PHE A 22 2.408 -8.250 1.201 1.00 0.00 H new ATOM 0 HA PHE A 22 0.205 -9.679 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.120 -6.754 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.057 -7.466 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.016 -8.789 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.081 -5.500 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.993 -8.233 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.896 -4.947 2.741 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.908 -6.320 2.625 1.00 0.00 H new ATOM 318 N ILE A 23 1.607 -10.057 -2.177 1.00 0.00 N ATOM 319 CA ILE A 23 2.496 -10.447 -3.258 1.00 0.00 C ATOM 320 C ILE A 23 1.964 -9.884 -4.578 1.00 0.00 C ATOM 321 O ILE A 23 0.990 -10.396 -5.128 1.00 0.00 O ATOM 322 CB ILE A 23 2.690 -11.965 -3.271 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.391 -12.438 -1.996 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.431 -12.412 -4.533 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.911 -12.344 -2.138 1.00 0.00 C ATOM 0 H ILE A 23 0.683 -10.488 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 23 3.489 -10.023 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 23 1.707 -12.436 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.063 -11.833 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.105 -13.468 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.556 -13.495 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.856 -12.126 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.410 -11.934 -4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.384 -12.686 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.238 -12.969 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.195 -11.309 -2.329 1.00 0.00 H new ATOM 337 N VAL A 24 2.627 -8.837 -5.048 1.00 0.00 N ATOM 338 CA VAL A 24 2.233 -8.199 -6.292 1.00 0.00 C ATOM 339 C VAL A 24 3.441 -8.130 -7.229 1.00 0.00 C ATOM 340 O VAL A 24 4.580 -8.287 -6.792 1.00 0.00 O ATOM 341 CB VAL A 24 1.620 -6.827 -6.005 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.321 -6.964 -5.208 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.616 -5.922 -5.279 1.00 0.00 C ATOM 0 H VAL A 24 3.434 -8.415 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 24 1.464 -8.785 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 24 1.380 -6.361 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.095 -5.975 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.396 -7.555 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.527 -7.460 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.155 -4.953 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.902 -6.381 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.502 -5.785 -5.899 1.00 0.00 H new ATOM 353 N GLY A 25 3.151 -7.895 -8.500 1.00 0.00 N ATOM 354 CA GLY A 25 4.199 -7.802 -9.502 1.00 0.00 C ATOM 355 C GLY A 25 5.029 -6.531 -9.313 1.00 0.00 C ATOM 356 O GLY A 25 4.488 -5.426 -9.319 1.00 0.00 O ATOM 0 H GLY A 25 2.205 -7.766 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.847 -8.676 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.756 -7.806 -10.498 1.00 0.00 H new ATOM 360 N ALA A 26 6.328 -6.730 -9.149 1.00 0.00 N ATOM 361 CA ALA A 26 7.238 -5.613 -8.958 1.00 0.00 C ATOM 362 C ALA A 26 6.896 -4.506 -9.956 1.00 0.00 C ATOM 363 O ALA A 26 6.994 -3.323 -9.634 1.00 0.00 O ATOM 364 CB ALA A 26 8.681 -6.101 -9.099 1.00 0.00 C ATOM 0 H ALA A 26 6.773 -7.648 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 26 7.131 -5.197 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.364 -5.264 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.882 -6.865 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.827 -6.522 -10.094 1.00 0.00 H new ATOM 370 N GLN A 27 6.501 -4.929 -11.148 1.00 0.00 N ATOM 371 CA GLN A 27 6.144 -3.987 -12.196 1.00 0.00 C ATOM 372 C GLN A 27 4.954 -3.131 -11.757 1.00 0.00 C ATOM 373 O GLN A 27 4.937 -1.922 -11.984 1.00 0.00 O ATOM 374 CB GLN A 27 5.841 -4.715 -13.507 1.00 0.00 C ATOM 375 CG GLN A 27 7.130 -5.025 -14.272 1.00 0.00 C ATOM 376 CD GLN A 27 7.276 -4.112 -15.491 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.686 -4.329 -16.536 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.095 -3.081 -15.300 1.00 0.00 N ATOM 0 H GLN A 27 6.420 -5.911 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 27 6.995 -3.329 -12.372 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.306 -5.641 -13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.186 -4.101 -14.125 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.988 -4.897 -13.612 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.126 -6.067 -14.592 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.558 -2.957 -14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.260 -2.414 -16.054 1.00 0.00 H new ATOM 387 N MET A 28 3.988 -3.792 -11.136 1.00 0.00 N ATOM 388 CA MET A 28 2.797 -3.106 -10.663 1.00 0.00 C ATOM 389 C MET A 28 3.143 -1.720 -10.116 1.00 0.00 C ATOM 390 O MET A 28 4.224 -1.518 -9.566 1.00 0.00 O ATOM 391 CB MET A 28 2.132 -3.937 -9.564 1.00 0.00 C ATOM 392 CG MET A 28 0.865 -3.251 -9.049 1.00 0.00 C ATOM 393 SD MET A 28 0.115 -4.239 -7.765 1.00 0.00 S ATOM 394 CE MET A 28 -0.831 -5.377 -8.762 1.00 0.00 C ATOM 0 H MET A 28 4.006 -4.795 -10.949 1.00 0.00 H new ATOM 0 HA MET A 28 2.113 -2.984 -11.503 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.883 -4.925 -9.951 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.831 -4.083 -8.741 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.109 -2.261 -8.662 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.160 -3.108 -9.868 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.366 -6.071 -8.114 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.547 -4.822 -9.368 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.159 -5.935 -9.414 1.00 0.00 H new ATOM 404 N ASN A 29 2.204 -0.800 -10.287 1.00 0.00 N ATOM 405 CA ASN A 29 2.396 0.561 -9.817 1.00 0.00 C ATOM 406 C ASN A 29 1.713 0.728 -8.458 1.00 0.00 C ATOM 407 O ASN A 29 0.943 -0.133 -8.037 1.00 0.00 O ATOM 408 CB ASN A 29 1.776 1.570 -10.785 1.00 0.00 C ATOM 409 CG ASN A 29 0.407 1.092 -11.274 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.194 -0.075 -11.559 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.506 2.056 -11.353 1.00 0.00 N ATOM 0 H ASN A 29 1.309 -0.971 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 29 3.468 0.744 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.673 2.536 -10.292 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.440 1.717 -11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.452 1.838 -11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.261 3.013 -11.099 1.00 0.00 H new ATOM 418 N VAL A 30 2.021 1.843 -7.811 1.00 0.00 N ATOM 419 CA VAL A 30 1.446 2.134 -6.508 1.00 0.00 C ATOM 420 C VAL A 30 -0.080 2.096 -6.609 1.00 0.00 C ATOM 421 O VAL A 30 -0.742 1.438 -5.808 1.00 0.00 O ATOM 422 CB VAL A 30 1.978 3.472 -5.989 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.075 4.030 -4.887 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.421 3.335 -5.499 1.00 0.00 C ATOM 0 H VAL A 30 2.660 2.555 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 30 1.742 1.377 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 30 1.972 4.180 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.475 4.981 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.071 4.183 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.035 3.324 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.775 4.300 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.463 2.605 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.054 3.002 -6.321 1.00 0.00 H new ATOM 434 N LYS A 31 -0.594 2.809 -7.600 1.00 0.00 N ATOM 435 CA LYS A 31 -2.030 2.865 -7.815 1.00 0.00 C ATOM 436 C LYS A 31 -2.592 1.442 -7.846 1.00 0.00 C ATOM 437 O LYS A 31 -3.347 1.050 -6.957 1.00 0.00 O ATOM 438 CB LYS A 31 -2.352 3.681 -9.069 1.00 0.00 C ATOM 439 CG LYS A 31 -3.858 3.695 -9.342 1.00 0.00 C ATOM 440 CD LYS A 31 -4.339 5.105 -9.688 1.00 0.00 C ATOM 441 CE LYS A 31 -5.669 5.061 -10.443 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.348 6.374 -10.373 1.00 0.00 N ATOM 0 H LYS A 31 -0.042 3.353 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.519 3.384 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.992 4.702 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.827 3.259 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.089 3.016 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.393 3.329 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.455 5.688 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.588 5.610 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.494 4.790 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.311 4.290 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.249 6.327 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.532 6.617 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.741 7.102 -10.801 1.00 0.00 H new ATOM 456 N GLU A 32 -2.203 0.708 -8.878 1.00 0.00 N ATOM 457 CA GLU A 32 -2.659 -0.662 -9.036 1.00 0.00 C ATOM 458 C GLU A 32 -2.664 -1.379 -7.685 1.00 0.00 C ATOM 459 O GLU A 32 -3.697 -1.890 -7.253 1.00 0.00 O ATOM 460 CB GLU A 32 -1.796 -1.413 -10.052 1.00 0.00 C ATOM 461 CG GLU A 32 -2.208 -1.067 -11.484 1.00 0.00 C ATOM 462 CD GLU A 32 -1.415 -1.894 -12.498 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.025 -3.023 -12.128 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.217 -1.380 -13.620 1.00 0.00 O ATOM 0 H GLU A 32 -1.577 1.037 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.679 -0.643 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.747 -1.160 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.891 -2.487 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.274 -1.251 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.043 -0.005 -11.667 1.00 0.00 H new ATOM 471 N PHE A 33 -1.499 -1.394 -7.054 1.00 0.00 N ATOM 472 CA PHE A 33 -1.356 -2.040 -5.761 1.00 0.00 C ATOM 473 C PHE A 33 -2.498 -1.645 -4.822 1.00 0.00 C ATOM 474 O PHE A 33 -3.119 -2.504 -4.197 1.00 0.00 O ATOM 475 CB PHE A 33 -0.032 -1.559 -5.164 1.00 0.00 C ATOM 476 CG PHE A 33 0.352 -2.258 -3.858 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.725 -3.565 -3.870 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.321 -1.571 -2.685 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.082 -4.213 -2.658 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.677 -2.219 -1.473 1.00 0.00 C ATOM 481 CZ PHE A 33 1.050 -3.526 -1.485 1.00 0.00 C ATOM 0 H PHE A 33 -0.645 -0.969 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.378 -3.123 -5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.762 -1.715 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.095 -0.486 -4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.750 -4.111 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.026 -0.532 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.379 -5.251 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.651 -1.673 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.321 -4.019 -0.563 1.00 0.00 H new ATOM 491 N LYS A 34 -2.740 -0.344 -4.752 1.00 0.00 N ATOM 492 CA LYS A 34 -3.797 0.175 -3.899 1.00 0.00 C ATOM 493 C LYS A 34 -5.107 -0.547 -4.221 1.00 0.00 C ATOM 494 O LYS A 34 -5.826 -0.966 -3.315 1.00 0.00 O ATOM 495 CB LYS A 34 -3.887 1.697 -4.025 1.00 0.00 C ATOM 496 CG LYS A 34 -2.647 2.371 -3.433 1.00 0.00 C ATOM 497 CD LYS A 34 -2.970 3.786 -2.949 1.00 0.00 C ATOM 498 CE LYS A 34 -1.784 4.726 -3.173 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.173 5.850 -4.054 1.00 0.00 N ATOM 0 H LYS A 34 -2.223 0.366 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.573 -0.023 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.989 1.973 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.780 2.056 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.267 1.776 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.857 2.411 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.844 4.165 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.225 3.762 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.432 5.111 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.956 4.176 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.357 6.479 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.487 5.478 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.949 6.384 -3.613 1.00 0.00 H new ATOM 513 N GLU A 35 -5.376 -0.670 -5.512 1.00 0.00 N ATOM 514 CA GLU A 35 -6.587 -1.334 -5.964 1.00 0.00 C ATOM 515 C GLU A 35 -6.539 -2.822 -5.611 1.00 0.00 C ATOM 516 O GLU A 35 -7.572 -3.434 -5.345 1.00 0.00 O ATOM 517 CB GLU A 35 -6.795 -1.133 -7.466 1.00 0.00 C ATOM 518 CG GLU A 35 -7.121 0.328 -7.783 1.00 0.00 C ATOM 519 CD GLU A 35 -7.377 0.520 -9.280 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.025 -0.375 -9.864 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.920 1.557 -9.805 1.00 0.00 O ATOM 0 H GLU A 35 -4.776 -0.321 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.437 -0.886 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.897 -1.434 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.605 -1.774 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.999 0.640 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.295 0.966 -7.467 1.00 0.00 H new ATOM 528 N HIS A 36 -5.329 -3.362 -5.621 1.00 0.00 N ATOM 529 CA HIS A 36 -5.133 -4.766 -5.306 1.00 0.00 C ATOM 530 C HIS A 36 -5.426 -5.006 -3.824 1.00 0.00 C ATOM 531 O HIS A 36 -6.273 -5.828 -3.480 1.00 0.00 O ATOM 532 CB HIS A 36 -3.731 -5.224 -5.715 1.00 0.00 C ATOM 533 CG HIS A 36 -3.478 -6.697 -5.496 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.056 -7.681 -6.278 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.703 -7.341 -4.576 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.641 -8.861 -5.840 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.804 -8.648 -4.785 1.00 0.00 N ATOM 0 H HIS A 36 -4.474 -2.852 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.833 -5.372 -5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.577 -4.992 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.994 -4.651 -5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.109 -6.868 -3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.917 -9.822 -6.247 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.333 -9.374 -4.245 1.00 0.00 H new ATOM 545 N ILE A 37 -4.709 -4.272 -2.986 1.00 0.00 N ATOM 546 CA ILE A 37 -4.882 -4.394 -1.548 1.00 0.00 C ATOM 547 C ILE A 37 -6.240 -3.813 -1.151 1.00 0.00 C ATOM 548 O ILE A 37 -6.818 -4.210 -0.141 1.00 0.00 O ATOM 549 CB ILE A 37 -3.701 -3.758 -0.811 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.739 -2.233 -0.929 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.373 -4.338 -1.299 1.00 0.00 C ATOM 552 CD1 ILE A 37 -2.884 -1.578 0.158 1.00 0.00 C ATOM 0 H ILE A 37 -4.007 -3.591 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.885 -5.443 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.788 -4.001 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.377 -1.932 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.768 -1.884 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.551 -3.869 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.358 -5.413 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.262 -4.146 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.928 -0.494 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.263 -1.862 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.851 -1.911 0.058 1.00 0.00 H new ATOM 564 N ALA A 38 -6.711 -2.881 -1.967 1.00 0.00 N ATOM 565 CA ALA A 38 -7.991 -2.241 -1.713 1.00 0.00 C ATOM 566 C ALA A 38 -9.036 -3.311 -1.394 1.00 0.00 C ATOM 567 O ALA A 38 -9.993 -3.052 -0.666 1.00 0.00 O ATOM 568 CB ALA A 38 -8.382 -1.385 -2.920 1.00 0.00 C ATOM 0 H ALA A 38 -6.229 -2.554 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.925 -1.578 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.342 -0.905 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.621 -0.622 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.461 -2.017 -3.804 1.00 0.00 H new ATOM 574 N ALA A 39 -8.819 -4.492 -1.955 1.00 0.00 N ATOM 575 CA ALA A 39 -9.731 -5.602 -1.740 1.00 0.00 C ATOM 576 C ALA A 39 -9.571 -6.117 -0.308 1.00 0.00 C ATOM 577 O ALA A 39 -10.560 -6.342 0.388 1.00 0.00 O ATOM 578 CB ALA A 39 -9.467 -6.690 -2.783 1.00 0.00 C ATOM 0 H ALA A 39 -8.024 -4.704 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.765 -5.278 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.151 -7.523 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.622 -6.282 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.439 -7.042 -2.690 1.00 0.00 H new ATOM 584 N SER A 40 -8.319 -6.288 0.089 1.00 0.00 N ATOM 585 CA SER A 40 -8.017 -6.773 1.425 1.00 0.00 C ATOM 586 C SER A 40 -8.357 -5.699 2.460 1.00 0.00 C ATOM 587 O SER A 40 -9.189 -5.920 3.339 1.00 0.00 O ATOM 588 CB SER A 40 -6.546 -7.178 1.545 1.00 0.00 C ATOM 589 OG SER A 40 -6.343 -8.552 1.224 1.00 0.00 O ATOM 0 H SER A 40 -7.502 -6.099 -0.491 1.00 0.00 H new ATOM 0 HA SER A 40 -8.626 -7.657 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.944 -6.558 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.199 -6.988 2.561 1.00 0.00 H new ATOM 0 HG SER A 40 -5.817 -8.979 1.932 1.00 0.00 H new ATOM 595 N VAL A 41 -7.697 -4.558 2.322 1.00 0.00 N ATOM 596 CA VAL A 41 -7.920 -3.449 3.234 1.00 0.00 C ATOM 597 C VAL A 41 -9.386 -3.019 3.158 1.00 0.00 C ATOM 598 O VAL A 41 -9.893 -2.366 4.069 1.00 0.00 O ATOM 599 CB VAL A 41 -6.946 -2.311 2.922 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.498 -2.754 3.141 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.150 -1.790 1.498 1.00 0.00 C ATOM 0 H VAL A 41 -7.008 -4.378 1.592 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.724 -3.754 4.262 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.154 -1.493 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.826 -1.927 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.363 -3.055 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.272 -3.596 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.445 -0.982 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.982 -2.599 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.169 -1.418 1.389 1.00 0.00 H new ATOM 611 N SER A 42 -10.026 -3.401 2.063 1.00 0.00 N ATOM 612 CA SER A 42 -11.424 -3.063 1.857 1.00 0.00 C ATOM 613 C SER A 42 -11.579 -1.549 1.700 1.00 0.00 C ATOM 614 O SER A 42 -12.634 -0.994 2.003 1.00 0.00 O ATOM 615 CB SER A 42 -12.290 -3.567 3.014 1.00 0.00 C ATOM 616 OG SER A 42 -13.577 -3.989 2.573 1.00 0.00 O ATOM 0 H SER A 42 -9.602 -3.941 1.309 1.00 0.00 H new ATOM 0 HA SER A 42 -11.763 -3.554 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.786 -4.397 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.402 -2.775 3.755 1.00 0.00 H new ATOM 0 HG SER A 42 -14.098 -4.305 3.340 1.00 0.00 H new ATOM 622 N ILE A 43 -10.511 -0.924 1.226 1.00 0.00 N ATOM 623 CA ILE A 43 -10.514 0.515 1.025 1.00 0.00 C ATOM 624 C ILE A 43 -10.082 0.827 -0.409 1.00 0.00 C ATOM 625 O ILE A 43 -9.195 0.168 -0.951 1.00 0.00 O ATOM 626 CB ILE A 43 -9.660 1.207 2.089 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.191 0.916 3.494 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.555 2.709 1.816 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.167 1.308 4.560 1.00 0.00 C ATOM 0 H ILE A 43 -9.638 -1.388 0.975 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.521 0.914 1.149 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.651 0.798 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.119 1.465 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.428 -0.144 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.943 3.177 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.096 2.870 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.551 3.151 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.570 1.091 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.249 0.740 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.951 2.374 4.482 1.00 0.00 H new ATOM 641 N PRO A 44 -10.745 1.857 -0.999 1.00 0.00 N ATOM 642 CA PRO A 44 -10.439 2.263 -2.360 1.00 0.00 C ATOM 643 C PRO A 44 -9.119 3.035 -2.418 1.00 0.00 C ATOM 644 O PRO A 44 -8.802 3.798 -1.507 1.00 0.00 O ATOM 645 CB PRO A 44 -11.632 3.094 -2.801 1.00 0.00 C ATOM 646 CG PRO A 44 -12.345 3.510 -1.525 1.00 0.00 C ATOM 647 CD PRO A 44 -11.802 2.659 -0.389 1.00 0.00 C ATOM 0 HA PRO A 44 -10.293 1.415 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.311 3.966 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.293 2.516 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.179 4.568 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.421 3.370 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.413 3.279 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.580 2.028 0.040 1.00 0.00 H new ATOM 655 N SER A 45 -8.385 2.809 -3.497 1.00 0.00 N ATOM 656 CA SER A 45 -7.106 3.474 -3.685 1.00 0.00 C ATOM 657 C SER A 45 -7.254 4.975 -3.427 1.00 0.00 C ATOM 658 O SER A 45 -6.480 5.557 -2.669 1.00 0.00 O ATOM 659 CB SER A 45 -6.560 3.229 -5.093 1.00 0.00 C ATOM 660 OG SER A 45 -5.550 4.171 -5.445 1.00 0.00 O ATOM 0 H SER A 45 -8.651 2.175 -4.250 1.00 0.00 H new ATOM 0 HA SER A 45 -6.395 3.057 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.152 2.220 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.376 3.286 -5.813 1.00 0.00 H new ATOM 0 HG SER A 45 -5.226 3.980 -6.350 1.00 0.00 H new ATOM 666 N GLU A 46 -8.254 5.558 -4.072 1.00 0.00 N ATOM 667 CA GLU A 46 -8.513 6.980 -3.921 1.00 0.00 C ATOM 668 C GLU A 46 -8.645 7.342 -2.440 1.00 0.00 C ATOM 669 O GLU A 46 -8.497 8.505 -2.066 1.00 0.00 O ATOM 670 CB GLU A 46 -9.763 7.395 -4.700 1.00 0.00 C ATOM 671 CG GLU A 46 -11.034 7.033 -3.930 1.00 0.00 C ATOM 672 CD GLU A 46 -12.181 6.703 -4.888 1.00 0.00 C ATOM 673 OE1 GLU A 46 -11.883 6.103 -5.944 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.329 7.057 -4.543 1.00 0.00 O ATOM 0 H GLU A 46 -8.894 5.072 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.667 7.529 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.740 8.469 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.770 6.903 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.840 6.178 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.322 7.863 -3.285 1.00 0.00 H new ATOM 681 N LYS A 47 -8.920 6.325 -1.638 1.00 0.00 N ATOM 682 CA LYS A 47 -9.073 6.521 -0.206 1.00 0.00 C ATOM 683 C LYS A 47 -7.764 6.158 0.497 1.00 0.00 C ATOM 684 O LYS A 47 -7.464 6.683 1.568 1.00 0.00 O ATOM 685 CB LYS A 47 -10.286 5.747 0.315 1.00 0.00 C ATOM 686 CG LYS A 47 -11.529 6.637 0.355 1.00 0.00 C ATOM 687 CD LYS A 47 -12.535 6.127 1.389 1.00 0.00 C ATOM 688 CE LYS A 47 -13.889 5.836 0.740 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.879 6.869 1.118 1.00 0.00 N ATOM 0 H LYS A 47 -9.041 5.362 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.274 7.569 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.473 4.884 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.076 5.365 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.241 7.660 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.995 6.661 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.151 5.222 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.658 6.869 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.780 5.808 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.244 4.853 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.792 6.656 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.995 6.877 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.546 7.802 0.800 1.00 0.00 H new ATOM 703 N GLN A 48 -7.019 5.263 -0.135 1.00 0.00 N ATOM 704 CA GLN A 48 -5.748 4.824 0.417 1.00 0.00 C ATOM 705 C GLN A 48 -4.636 5.803 0.034 1.00 0.00 C ATOM 706 O GLN A 48 -4.774 6.560 -0.925 1.00 0.00 O ATOM 707 CB GLN A 48 -5.411 3.405 -0.045 1.00 0.00 C ATOM 708 CG GLN A 48 -6.523 2.426 0.335 1.00 0.00 C ATOM 709 CD GLN A 48 -6.079 0.978 0.114 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.387 0.383 0.924 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.514 0.447 -1.025 1.00 0.00 N ATOM 0 H GLN A 48 -7.271 4.830 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.833 4.807 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.267 3.395 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.471 3.086 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.798 2.570 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.413 2.632 -0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.090 1.001 -1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.271 -0.514 -1.265 1.00 0.00 H new ATOM 720 N ARG A 49 -3.560 5.757 0.805 1.00 0.00 N ATOM 721 CA ARG A 49 -2.425 6.631 0.559 1.00 0.00 C ATOM 722 C ARG A 49 -1.164 6.059 1.209 1.00 0.00 C ATOM 723 O ARG A 49 -0.784 6.471 2.304 1.00 0.00 O ATOM 724 CB ARG A 49 -2.682 8.035 1.109 1.00 0.00 C ATOM 725 CG ARG A 49 -1.501 8.963 0.818 1.00 0.00 C ATOM 726 CD ARG A 49 -1.626 10.271 1.601 1.00 0.00 C ATOM 727 NE ARG A 49 -0.298 10.689 2.105 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.049 11.877 2.671 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.035 12.774 2.808 1.00 0.00 N ATOM 730 NH2 ARG A 49 1.187 12.170 3.099 1.00 0.00 N ATOM 0 H ARG A 49 -3.450 5.128 1.601 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.284 6.696 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.589 8.444 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.851 7.983 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.568 8.464 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.457 9.177 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.043 11.049 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.316 10.141 2.435 1.00 0.00 H new ATOM 0 HE ARG A 49 0.476 10.031 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.975 12.552 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.845 13.679 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.938 11.488 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.376 13.075 3.530 1.00 0.00 H new ATOM 744 N LEU A 50 -0.549 5.118 0.507 1.00 0.00 N ATOM 745 CA LEU A 50 0.661 4.485 1.002 1.00 0.00 C ATOM 746 C LEU A 50 1.695 5.562 1.334 1.00 0.00 C ATOM 747 O LEU A 50 1.961 6.445 0.520 1.00 0.00 O ATOM 748 CB LEU A 50 1.163 3.437 0.007 1.00 0.00 C ATOM 749 CG LEU A 50 0.111 2.464 -0.530 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.758 1.381 -1.397 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.716 1.867 0.610 1.00 0.00 C ATOM 0 H LEU A 50 -0.867 4.779 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 50 0.457 3.943 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.615 3.955 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.953 2.859 0.486 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.575 3.021 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.011 0.703 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.267 1.846 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.480 0.822 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.456 1.179 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.059 1.329 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.223 2.667 1.149 1.00 0.00 H new ATOM 763 N ILE A 51 2.251 5.454 2.532 1.00 0.00 N ATOM 764 CA ILE A 51 3.251 6.408 2.982 1.00 0.00 C ATOM 765 C ILE A 51 4.516 5.656 3.399 1.00 0.00 C ATOM 766 O ILE A 51 4.455 4.731 4.207 1.00 0.00 O ATOM 767 CB ILE A 51 2.678 7.305 4.082 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.542 8.177 3.542 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.780 8.140 4.737 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.548 8.529 4.650 1.00 0.00 C ATOM 0 H ILE A 51 2.028 4.721 3.205 1.00 0.00 H new ATOM 0 HA ILE A 51 3.532 7.078 2.169 1.00 0.00 H new ATOM 0 HB ILE A 51 2.253 6.667 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.953 9.091 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.026 7.652 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.347 8.769 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.525 7.478 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.255 8.770 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.249 9.149 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.121 7.614 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.063 9.075 5.440 1.00 0.00 H new ATOM 782 N TYR A 52 5.634 6.082 2.828 1.00 0.00 N ATOM 783 CA TYR A 52 6.912 5.460 3.130 1.00 0.00 C ATOM 784 C TYR A 52 8.005 6.515 3.311 1.00 0.00 C ATOM 785 O TYR A 52 8.163 7.402 2.473 1.00 0.00 O ATOM 786 CB TYR A 52 7.255 4.591 1.919 1.00 0.00 C ATOM 787 CG TYR A 52 8.498 3.721 2.110 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.747 4.227 1.813 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.371 2.429 2.578 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.918 3.408 1.992 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.542 1.610 2.758 1.00 0.00 C ATOM 792 CZ TYR A 52 10.757 2.140 2.456 1.00 0.00 C ATOM 793 OH TYR A 52 11.863 1.366 2.625 1.00 0.00 O ATOM 0 H TYR A 52 5.681 6.850 2.158 1.00 0.00 H new ATOM 0 HA TYR A 52 6.850 4.884 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.405 3.947 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.405 5.236 1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.846 5.238 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.394 2.032 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.901 3.792 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.457 0.598 3.125 1.00 0.00 H new ATOM 0 HH TYR A 52 11.597 0.485 2.963 1.00 0.00 H new ATOM 803 N GLN A 53 8.733 6.384 4.411 1.00 0.00 N ATOM 804 CA GLN A 53 9.807 7.315 4.713 1.00 0.00 C ATOM 805 C GLN A 53 9.240 8.710 4.984 1.00 0.00 C ATOM 806 O GLN A 53 9.988 9.683 5.068 1.00 0.00 O ATOM 807 CB GLN A 53 10.835 7.352 3.581 1.00 0.00 C ATOM 808 CG GLN A 53 11.949 6.331 3.818 1.00 0.00 C ATOM 809 CD GLN A 53 12.663 6.596 5.145 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.776 7.721 5.605 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.136 5.501 5.734 1.00 0.00 N ATOM 0 H GLN A 53 8.600 5.647 5.104 1.00 0.00 H new ATOM 0 HA GLN A 53 10.318 6.971 5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.343 7.144 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.263 8.352 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.530 5.325 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.667 6.375 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.007 4.589 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.628 5.573 6.625 1.00 0.00 H new ATOM 820 N GLY A 54 7.922 8.764 5.114 1.00 0.00 N ATOM 821 CA GLY A 54 7.246 10.023 5.374 1.00 0.00 C ATOM 822 C GLY A 54 6.933 10.757 4.068 1.00 0.00 C ATOM 823 O GLY A 54 6.766 11.976 4.062 1.00 0.00 O ATOM 0 H GLY A 54 7.304 7.955 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.322 9.837 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.871 10.652 6.008 1.00 0.00 H new ATOM 827 N ARG A 55 6.863 9.984 2.994 1.00 0.00 N ATOM 828 CA ARG A 55 6.573 10.546 1.686 1.00 0.00 C ATOM 829 C ARG A 55 5.422 9.784 1.025 1.00 0.00 C ATOM 830 O ARG A 55 5.484 8.565 0.877 1.00 0.00 O ATOM 831 CB ARG A 55 7.803 10.488 0.777 1.00 0.00 C ATOM 832 CG ARG A 55 7.397 10.542 -0.698 1.00 0.00 C ATOM 833 CD ARG A 55 8.621 10.730 -1.596 1.00 0.00 C ATOM 834 NE ARG A 55 8.846 12.170 -1.851 1.00 0.00 N ATOM 835 CZ ARG A 55 9.954 12.669 -2.415 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.946 11.848 -2.786 1.00 0.00 N ATOM 837 NH2 ARG A 55 10.072 13.990 -2.608 1.00 0.00 N ATOM 0 H ARG A 55 7.002 8.974 3.003 1.00 0.00 H new ATOM 0 HA ARG A 55 6.289 11.589 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.468 11.321 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.361 9.572 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.879 9.622 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.696 11.361 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.500 10.295 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.474 10.204 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 55 8.111 12.824 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.858 10.843 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.789 12.229 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.318 14.616 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.916 14.369 -3.037 1.00 0.00 H new ATOM 851 N VAL A 56 4.399 10.536 0.645 1.00 0.00 N ATOM 852 CA VAL A 56 3.236 9.947 0.003 1.00 0.00 C ATOM 853 C VAL A 56 3.663 9.284 -1.308 1.00 0.00 C ATOM 854 O VAL A 56 3.962 9.968 -2.286 1.00 0.00 O ATOM 855 CB VAL A 56 2.151 11.009 -0.190 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.673 12.180 -1.025 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.896 10.402 -0.819 1.00 0.00 C ATOM 0 H VAL A 56 4.351 11.547 0.769 1.00 0.00 H new ATOM 0 HA VAL A 56 2.804 9.170 0.634 1.00 0.00 H new ATOM 0 HB VAL A 56 1.879 11.394 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.883 12.921 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.523 12.637 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.985 11.818 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.141 11.178 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.145 9.977 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.506 9.618 -0.169 1.00 0.00 H new ATOM 867 N LEU A 57 3.679 7.959 -1.286 1.00 0.00 N ATOM 868 CA LEU A 57 4.065 7.196 -2.461 1.00 0.00 C ATOM 869 C LEU A 57 3.227 7.651 -3.657 1.00 0.00 C ATOM 870 O LEU A 57 2.001 7.711 -3.574 1.00 0.00 O ATOM 871 CB LEU A 57 3.971 5.695 -2.179 1.00 0.00 C ATOM 872 CG LEU A 57 4.746 5.191 -0.960 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.106 3.925 -0.388 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.224 4.984 -1.298 1.00 0.00 C ATOM 0 H LEU A 57 3.431 7.395 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 57 5.109 7.385 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.920 5.435 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.326 5.157 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 57 4.697 5.955 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.677 3.588 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.081 4.140 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.104 3.143 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.753 4.626 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.315 4.249 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.659 5.929 -1.622 1.00 0.00 H new ATOM 886 N GLN A 58 3.921 7.959 -4.742 1.00 0.00 N ATOM 887 CA GLN A 58 3.256 8.407 -5.954 1.00 0.00 C ATOM 888 C GLN A 58 2.509 7.244 -6.610 1.00 0.00 C ATOM 889 O GLN A 58 2.984 6.110 -6.597 1.00 0.00 O ATOM 890 CB GLN A 58 4.255 9.036 -6.928 1.00 0.00 C ATOM 891 CG GLN A 58 4.296 10.556 -6.766 1.00 0.00 C ATOM 892 CD GLN A 58 4.426 10.948 -5.292 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.477 10.835 -4.684 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.301 11.412 -4.755 1.00 0.00 N ATOM 0 H GLN A 58 4.938 7.907 -4.808 1.00 0.00 H new ATOM 0 HA GLN A 58 2.530 9.174 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.248 8.621 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.979 8.783 -7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.136 10.963 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.390 10.994 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.456 11.480 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.284 11.699 -3.776 1.00 0.00 H new ATOM 903 N ASP A 59 1.351 7.567 -7.168 1.00 0.00 N ATOM 904 CA ASP A 59 0.533 6.563 -7.828 1.00 0.00 C ATOM 905 C ASP A 59 1.271 6.041 -9.062 1.00 0.00 C ATOM 906 O ASP A 59 1.475 4.836 -9.205 1.00 0.00 O ATOM 907 CB ASP A 59 -0.800 7.155 -8.289 1.00 0.00 C ATOM 908 CG ASP A 59 -0.728 8.601 -8.785 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.422 9.474 -7.945 1.00 0.00 O ATOM 910 OD2 ASP A 59 -0.981 8.799 -9.993 1.00 0.00 O ATOM 0 H ASP A 59 0.960 8.509 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 59 0.344 5.760 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.200 6.532 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.508 7.105 -7.462 1.00 0.00 H new ATOM 915 N ASP A 60 1.652 6.973 -9.923 1.00 0.00 N ATOM 916 CA ASP A 60 2.363 6.623 -11.141 1.00 0.00 C ATOM 917 C ASP A 60 3.585 5.772 -10.786 1.00 0.00 C ATOM 918 O ASP A 60 3.942 4.854 -11.523 1.00 0.00 O ATOM 919 CB ASP A 60 2.855 7.874 -11.872 1.00 0.00 C ATOM 920 CG ASP A 60 3.089 7.695 -13.373 1.00 0.00 C ATOM 921 OD1 ASP A 60 2.585 6.686 -13.910 1.00 0.00 O ATOM 922 OD2 ASP A 60 3.768 8.572 -13.949 1.00 0.00 O ATOM 0 H ASP A 60 1.482 7.971 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 60 1.676 6.076 -11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.127 8.672 -11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.786 8.203 -11.411 1.00 0.00 H new ATOM 927 N LYS A 61 4.192 6.108 -9.657 1.00 0.00 N ATOM 928 CA LYS A 61 5.366 5.386 -9.195 1.00 0.00 C ATOM 929 C LYS A 61 4.995 3.923 -8.948 1.00 0.00 C ATOM 930 O LYS A 61 3.816 3.572 -8.930 1.00 0.00 O ATOM 931 CB LYS A 61 5.976 6.080 -7.977 1.00 0.00 C ATOM 932 CG LYS A 61 7.129 6.998 -8.389 1.00 0.00 C ATOM 933 CD LYS A 61 8.481 6.363 -8.056 1.00 0.00 C ATOM 934 CE LYS A 61 9.534 7.435 -7.768 1.00 0.00 C ATOM 935 NZ LYS A 61 9.915 8.136 -9.015 1.00 0.00 N ATOM 0 H LYS A 61 3.893 6.870 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 61 6.143 5.393 -9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.210 6.661 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.336 5.332 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.072 7.202 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.037 7.956 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.376 5.709 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.809 5.740 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.144 8.152 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.415 6.977 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.630 8.860 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.307 7.451 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.076 8.590 -9.428 1.00 0.00 H new ATOM 949 N LYS A 62 6.023 3.108 -8.763 1.00 0.00 N ATOM 950 CA LYS A 62 5.820 1.690 -8.517 1.00 0.00 C ATOM 951 C LYS A 62 6.443 1.316 -7.171 1.00 0.00 C ATOM 952 O LYS A 62 7.328 2.014 -6.677 1.00 0.00 O ATOM 953 CB LYS A 62 6.347 0.862 -9.690 1.00 0.00 C ATOM 954 CG LYS A 62 5.970 1.503 -11.027 1.00 0.00 C ATOM 955 CD LYS A 62 6.659 0.788 -12.192 1.00 0.00 C ATOM 956 CE LYS A 62 5.729 0.694 -13.404 1.00 0.00 C ATOM 957 NZ LYS A 62 6.510 0.450 -14.637 1.00 0.00 N ATOM 0 H LYS A 62 6.999 3.402 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 62 4.756 1.464 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.431 0.772 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.940 -0.148 -9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.889 1.465 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.254 2.555 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.567 1.324 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.961 -0.212 -11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.010 -0.111 -13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.158 1.617 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.865 0.389 -15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.179 1.232 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.036 -0.443 -14.544 1.00 0.00 H new ATOM 971 N LEU A 63 5.957 0.216 -6.615 1.00 0.00 N ATOM 972 CA LEU A 63 6.456 -0.259 -5.336 1.00 0.00 C ATOM 973 C LEU A 63 7.966 -0.483 -5.433 1.00 0.00 C ATOM 974 O LEU A 63 8.735 0.118 -4.684 1.00 0.00 O ATOM 975 CB LEU A 63 5.678 -1.498 -4.884 1.00 0.00 C ATOM 976 CG LEU A 63 4.195 -1.531 -5.257 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.605 -0.120 -5.287 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.978 -2.271 -6.578 1.00 0.00 C ATOM 0 H LEU A 63 5.223 -0.360 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 63 6.294 0.491 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.159 -2.379 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.762 -1.580 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 63 3.662 -2.086 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.550 -0.173 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.707 0.338 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.137 0.481 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.915 -2.280 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.527 -1.765 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.337 -3.296 -6.484 1.00 0.00 H new ATOM 990 N GLN A 64 8.345 -1.348 -6.361 1.00 0.00 N ATOM 991 CA GLN A 64 9.750 -1.659 -6.566 1.00 0.00 C ATOM 992 C GLN A 64 10.588 -0.379 -6.524 1.00 0.00 C ATOM 993 O GLN A 64 11.572 -0.301 -5.790 1.00 0.00 O ATOM 994 CB GLN A 64 9.960 -2.408 -7.883 1.00 0.00 C ATOM 995 CG GLN A 64 11.379 -2.972 -7.973 1.00 0.00 C ATOM 996 CD GLN A 64 11.692 -3.445 -9.394 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.699 -4.627 -9.696 1.00 0.00 O ATOM 998 NE2 GLN A 64 11.951 -2.458 -10.248 1.00 0.00 N ATOM 0 H GLN A 64 7.704 -1.844 -6.980 1.00 0.00 H new ATOM 0 HA GLN A 64 10.079 -2.313 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.237 -3.219 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.779 -1.735 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.097 -2.209 -7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.489 -3.803 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.928 -1.489 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.172 -2.670 -11.221 1.00 0.00 H new ATOM 1007 N GLU A 65 10.167 0.592 -7.320 1.00 0.00 N ATOM 1008 CA GLU A 65 10.866 1.865 -7.383 1.00 0.00 C ATOM 1009 C GLU A 65 11.277 2.314 -5.980 1.00 0.00 C ATOM 1010 O GLU A 65 12.424 2.699 -5.758 1.00 0.00 O ATOM 1011 CB GLU A 65 10.008 2.928 -8.071 1.00 0.00 C ATOM 1012 CG GLU A 65 10.460 3.148 -9.516 1.00 0.00 C ATOM 1013 CD GLU A 65 11.593 4.174 -9.586 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.357 5.312 -9.127 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.669 3.797 -10.098 1.00 0.00 O ATOM 0 H GLU A 65 9.350 0.523 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 65 11.769 1.733 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.962 2.621 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.073 3.866 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.794 2.203 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.617 3.490 -10.116 1.00 0.00 H new ATOM 1022 N TYR A 66 10.317 2.252 -5.068 1.00 0.00 N ATOM 1023 CA TYR A 66 10.565 2.648 -3.692 1.00 0.00 C ATOM 1024 C TYR A 66 11.378 1.583 -2.953 1.00 0.00 C ATOM 1025 O TYR A 66 12.117 1.897 -2.021 1.00 0.00 O ATOM 1026 CB TYR A 66 9.189 2.769 -3.034 1.00 0.00 C ATOM 1027 CG TYR A 66 8.424 4.036 -3.421 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.792 5.254 -2.887 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.365 3.961 -4.304 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.072 6.447 -3.251 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.645 5.154 -4.668 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.034 6.338 -4.123 1.00 0.00 C ATOM 1033 OH TYR A 66 6.354 7.464 -4.467 1.00 0.00 O ATOM 0 H TYR A 66 9.366 1.933 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 66 11.129 3.580 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.591 1.899 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.312 2.748 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.620 5.313 -2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.077 3.008 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.350 7.407 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.815 5.110 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 66 6.666 7.781 -5.340 1.00 0.00 H new ATOM 1043 N ASN A 67 11.215 0.345 -3.397 1.00 0.00 N ATOM 1044 CA ASN A 67 11.924 -0.767 -2.789 1.00 0.00 C ATOM 1045 C ASN A 67 11.216 -1.173 -1.495 1.00 0.00 C ATOM 1046 O ASN A 67 11.860 -1.377 -0.468 1.00 0.00 O ATOM 1047 CB ASN A 67 13.362 -0.378 -2.438 1.00 0.00 C ATOM 1048 CG ASN A 67 14.303 -1.576 -2.573 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.095 -2.630 -1.994 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.347 -1.358 -3.367 1.00 0.00 N ATOM 0 H ASN A 67 10.602 0.088 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 67 11.936 -1.589 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.695 0.426 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.400 0.006 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.033 -2.097 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.462 -0.452 -3.822 1.00 0.00 H new ATOM 1057 N VAL A 68 9.898 -1.279 -1.588 1.00 0.00 N ATOM 1058 CA VAL A 68 9.095 -1.657 -0.438 1.00 0.00 C ATOM 1059 C VAL A 68 8.961 -3.181 -0.394 1.00 0.00 C ATOM 1060 O VAL A 68 8.102 -3.712 0.309 1.00 0.00 O ATOM 1061 CB VAL A 68 7.744 -0.939 -0.484 1.00 0.00 C ATOM 1062 CG1 VAL A 68 7.931 0.569 -0.665 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.853 -1.518 -1.585 1.00 0.00 C ATOM 0 H VAL A 68 9.367 -1.110 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 68 9.582 -1.346 0.487 1.00 0.00 H new ATOM 0 HB VAL A 68 7.244 -1.102 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.956 1.056 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.510 0.967 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.460 0.761 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.899 -0.990 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.345 -1.400 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.680 -2.577 -1.393 1.00 0.00 H new ATOM 1073 N GLY A 69 9.823 -3.841 -1.153 1.00 0.00 N ATOM 1074 CA GLY A 69 9.811 -5.293 -1.209 1.00 0.00 C ATOM 1075 C GLY A 69 10.034 -5.897 0.179 1.00 0.00 C ATOM 1076 O GLY A 69 11.106 -5.744 0.761 1.00 0.00 O ATOM 0 H GLY A 69 10.534 -3.397 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.858 -5.637 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.588 -5.641 -1.890 1.00 0.00 H new ATOM 1080 N GLY A 70 9.003 -6.571 0.668 1.00 0.00 N ATOM 1081 CA GLY A 70 9.073 -7.199 1.976 1.00 0.00 C ATOM 1082 C GLY A 70 9.132 -6.147 3.086 1.00 0.00 C ATOM 1083 O GLY A 70 9.351 -6.480 4.250 1.00 0.00 O ATOM 0 H GLY A 70 8.115 -6.696 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.204 -7.840 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.953 -7.839 2.029 1.00 0.00 H new ATOM 1087 N LYS A 71 8.933 -4.900 2.687 1.00 0.00 N ATOM 1088 CA LYS A 71 8.961 -3.798 3.634 1.00 0.00 C ATOM 1089 C LYS A 71 7.548 -3.554 4.168 1.00 0.00 C ATOM 1090 O LYS A 71 6.575 -4.062 3.613 1.00 0.00 O ATOM 1091 CB LYS A 71 9.601 -2.561 2.998 1.00 0.00 C ATOM 1092 CG LYS A 71 11.057 -2.832 2.617 1.00 0.00 C ATOM 1093 CD LYS A 71 11.980 -2.672 3.827 1.00 0.00 C ATOM 1094 CE LYS A 71 13.438 -2.929 3.443 1.00 0.00 C ATOM 1095 NZ LYS A 71 13.954 -4.128 4.141 1.00 0.00 N ATOM 0 H LYS A 71 8.752 -4.628 1.721 1.00 0.00 H new ATOM 0 HA LYS A 71 9.587 -4.047 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.037 -2.271 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.553 -1.724 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.150 -3.841 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.364 -2.146 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.880 -1.666 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.679 -3.366 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.517 -3.066 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.046 -2.062 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.945 -4.288 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.896 -3.983 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.384 -4.956 3.876 1.00 0.00 H new ATOM 1109 N VAL A 72 7.481 -2.776 5.238 1.00 0.00 N ATOM 1110 CA VAL A 72 6.203 -2.459 5.853 1.00 0.00 C ATOM 1111 C VAL A 72 5.843 -1.003 5.548 1.00 0.00 C ATOM 1112 O VAL A 72 6.513 -0.083 6.014 1.00 0.00 O ATOM 1113 CB VAL A 72 6.254 -2.760 7.352 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.101 -2.076 8.089 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.250 -4.268 7.608 1.00 0.00 C ATOM 0 H VAL A 72 8.290 -2.356 5.695 1.00 0.00 H new ATOM 0 HA VAL A 72 5.413 -3.084 5.436 1.00 0.00 H new ATOM 0 HB VAL A 72 7.188 -2.356 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.161 -2.307 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.168 -0.997 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.151 -2.436 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.287 -4.455 8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.341 -4.705 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.119 -4.720 7.131 1.00 0.00 H new ATOM 1125 N ILE A 73 4.784 -0.840 4.768 1.00 0.00 N ATOM 1126 CA ILE A 73 4.327 0.488 4.395 1.00 0.00 C ATOM 1127 C ILE A 73 3.293 0.971 5.414 1.00 0.00 C ATOM 1128 O ILE A 73 2.867 0.209 6.281 1.00 0.00 O ATOM 1129 CB ILE A 73 3.818 0.494 2.952 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.691 -0.390 2.059 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.709 1.922 2.415 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.027 -0.620 0.700 1.00 0.00 C ATOM 0 H ILE A 73 4.230 -1.605 4.384 1.00 0.00 H new ATOM 0 HA ILE A 73 5.155 1.197 4.419 1.00 0.00 H new ATOM 0 HB ILE A 73 2.814 0.069 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.665 0.079 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.866 -1.348 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.345 1.898 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.014 2.491 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.690 2.396 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.668 -1.251 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.064 -1.111 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.875 0.338 0.202 1.00 0.00 H new ATOM 1144 N HIS A 74 2.920 2.235 5.277 1.00 0.00 N ATOM 1145 CA HIS A 74 1.945 2.829 6.175 1.00 0.00 C ATOM 1146 C HIS A 74 0.782 3.403 5.363 1.00 0.00 C ATOM 1147 O HIS A 74 0.854 4.532 4.880 1.00 0.00 O ATOM 1148 CB HIS A 74 2.604 3.870 7.082 1.00 0.00 C ATOM 1149 CG HIS A 74 3.405 3.276 8.216 1.00 0.00 C ATOM 1150 ND1 HIS A 74 2.816 2.692 9.324 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.753 3.183 8.402 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.776 2.270 10.134 1.00 0.00 C ATOM 1153 NE2 HIS A 74 4.976 2.575 9.561 1.00 0.00 N ATOM 0 H HIS A 74 3.276 2.864 4.557 1.00 0.00 H new ATOM 0 HA HIS A 74 1.539 2.062 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.258 4.500 6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.831 4.517 7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.511 3.543 7.722 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.634 1.772 11.082 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.893 2.370 9.958 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.263 2.598 5.236 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.440 3.011 4.491 1.00 0.00 C ATOM 1163 C LEU A 75 -2.374 3.796 5.414 1.00 0.00 C ATOM 1164 O LEU A 75 -2.537 3.446 6.582 1.00 0.00 O ATOM 1165 CB LEU A 75 -2.105 1.804 3.827 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.634 1.820 3.783 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -4.143 2.848 2.771 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.189 0.421 3.506 1.00 0.00 C ATOM 0 H LEU A 75 -0.319 1.662 5.637 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.159 3.680 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.733 1.726 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.786 0.904 4.352 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.000 2.124 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.233 2.839 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.791 3.841 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.768 2.598 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.278 0.460 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.816 0.065 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.869 -0.260 4.295 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.962 4.844 4.856 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.876 5.682 5.615 1.00 0.00 C ATOM 1182 C VAL A 76 -5.202 5.795 4.861 1.00 0.00 C ATOM 1183 O VAL A 76 -5.219 5.873 3.634 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.229 7.040 5.895 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.986 6.885 6.773 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.892 7.766 4.591 1.00 0.00 C ATOM 0 H VAL A 76 -2.824 5.132 3.887 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.091 5.233 6.585 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.950 7.648 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.546 7.865 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.266 6.429 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.259 6.250 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.433 8.728 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.197 7.162 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.805 7.926 4.017 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.283 5.800 5.628 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.611 5.902 5.048 1.00 0.00 C ATOM 1198 C GLU A 77 -8.235 7.258 5.387 1.00 0.00 C ATOM 1199 O GLU A 77 -8.191 7.695 6.536 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.505 4.754 5.520 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.821 4.727 4.739 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.956 4.165 5.597 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.949 4.460 6.812 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.806 3.454 5.019 1.00 0.00 O ATOM 0 H GLU A 77 -6.266 5.735 6.646 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.520 5.826 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.983 3.806 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.712 4.863 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.074 5.735 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.703 4.119 3.842 1.00 0.00 H new