USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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: B 1 PHE N :NH3+ 176:sc= 0.475 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.681 K(o=1.2,f=-0.085) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.441 K(o=1.1,f=-0.85) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.634 K(o=1.1,f=-0.43) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 3 ASN : amide:sc= 0.577 K(o=0.58,f=-0.08) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.232 USER MOD Set 4.2: A 9 SER OG : rot 72:sc= 0.245 USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.36 (180deg=1.36) USER MOD Single : A 5 GLN : amide:sc= 0.604 K(o=0.6,f=-0.35) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 9 SER OG : rot 87:sc= 1.88 USER MOD Single : B 10 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.74) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.647 -23.725 8.310 1.00 0.00 N ATOM 2 CA GLY A 1 -10.165 -23.169 7.037 1.00 0.00 C ATOM 3 C GLY A 1 -9.202 -22.162 6.424 1.00 0.00 C ATOM 4 O GLY A 1 -8.411 -21.547 7.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.339 -24.394 8.704 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.750 -24.220 8.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.488 -22.952 8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.340 -23.981 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.127 -22.689 7.215 1.00 0.00 H new ATOM 10 N ILE A 2 -9.262 -21.954 5.105 1.00 0.00 N ATOM 11 CA ILE A 2 -8.212 -21.250 4.334 1.00 0.00 C ATOM 12 C ILE A 2 -7.943 -19.795 4.751 1.00 0.00 C ATOM 13 O ILE A 2 -6.799 -19.349 4.694 1.00 0.00 O ATOM 14 CB ILE A 2 -8.501 -21.392 2.825 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.308 -20.959 1.943 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.838 -20.773 2.377 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.346 -19.534 1.373 1.00 0.00 C ATOM 0 H ILE A 2 -10.044 -22.269 4.530 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.271 -21.744 4.577 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.627 -22.463 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.396 -21.065 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.233 -21.656 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.964 -20.916 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.659 -21.257 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.839 -19.707 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.453 -19.358 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.231 -19.416 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.381 -18.815 2.192 1.00 0.00 H new ATOM 29 N VAL A 3 -8.938 -19.055 5.249 1.00 0.00 N ATOM 30 CA VAL A 3 -8.711 -17.674 5.720 1.00 0.00 C ATOM 31 C VAL A 3 -7.759 -17.629 6.929 1.00 0.00 C ATOM 32 O VAL A 3 -6.987 -16.684 7.034 1.00 0.00 O ATOM 33 CB VAL A 3 -10.036 -16.926 5.978 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.836 -15.489 6.475 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.918 -16.901 4.723 1.00 0.00 C ATOM 0 H VAL A 3 -9.901 -19.379 5.338 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.210 -17.138 4.914 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.532 -17.487 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.807 -15.021 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.280 -15.502 7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.279 -14.921 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.843 -16.367 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.388 -16.396 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.151 -17.922 4.421 1.00 0.00 H new ATOM 45 N GLU A 4 -7.705 -18.661 7.786 1.00 0.00 N ATOM 46 CA GLU A 4 -6.733 -18.728 8.901 1.00 0.00 C ATOM 47 C GLU A 4 -5.280 -18.814 8.402 1.00 0.00 C ATOM 48 O GLU A 4 -4.395 -18.187 8.987 1.00 0.00 O ATOM 49 CB GLU A 4 -7.038 -19.918 9.836 1.00 0.00 C ATOM 50 CG GLU A 4 -8.239 -19.646 10.761 1.00 0.00 C ATOM 51 CD GLU A 4 -9.049 -20.892 11.183 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.761 -20.823 12.215 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.115 -21.906 10.448 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.326 -19.468 7.731 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.840 -17.799 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.239 -20.806 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.158 -20.135 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.877 -19.148 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.911 -18.950 10.259 1.00 0.00 H new ATOM 60 N GLN A 5 -5.037 -19.511 7.284 1.00 0.00 N ATOM 61 CA GLN A 5 -3.750 -19.489 6.576 1.00 0.00 C ATOM 62 C GLN A 5 -3.428 -18.072 6.067 1.00 0.00 C ATOM 63 O GLN A 5 -2.279 -17.647 6.161 1.00 0.00 O ATOM 64 CB GLN A 5 -3.765 -20.554 5.455 1.00 0.00 C ATOM 65 CG GLN A 5 -2.712 -20.406 4.341 1.00 0.00 C ATOM 66 CD GLN A 5 -1.270 -20.682 4.765 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.979 -21.363 5.740 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.306 -20.194 4.014 1.00 0.00 N ATOM 0 H GLN A 5 -5.734 -20.111 6.842 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.942 -19.748 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.637 -21.534 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.752 -20.546 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.970 -21.084 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.769 -19.393 3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.533 -19.625 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.668 -20.385 4.247 1.00 0.00 H new ATOM 77 N CYS A 6 -4.417 -17.311 5.584 1.00 0.00 N ATOM 78 CA CYS A 6 -4.200 -15.932 5.127 1.00 0.00 C ATOM 79 C CYS A 6 -3.960 -14.946 6.285 1.00 0.00 C ATOM 80 O CYS A 6 -3.166 -14.018 6.144 1.00 0.00 O ATOM 81 CB CYS A 6 -5.366 -15.462 4.246 1.00 0.00 C ATOM 82 SG CYS A 6 -5.904 -16.621 2.958 1.00 0.00 S ATOM 0 H CYS A 6 -5.382 -17.629 5.499 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.287 -15.941 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.218 -15.244 4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.080 -14.525 3.768 1.00 0.00 H new ATOM 87 N CYS A 7 -4.596 -15.140 7.448 1.00 0.00 N ATOM 88 CA CYS A 7 -4.394 -14.287 8.626 1.00 0.00 C ATOM 89 C CYS A 7 -2.934 -14.327 9.141 1.00 0.00 C ATOM 90 O CYS A 7 -2.450 -13.326 9.675 1.00 0.00 O ATOM 91 CB CYS A 7 -5.363 -14.711 9.744 1.00 0.00 C ATOM 92 SG CYS A 7 -7.144 -14.696 9.360 1.00 0.00 S ATOM 0 H CYS A 7 -5.266 -15.894 7.598 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.599 -13.259 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.095 -15.720 10.058 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.197 -14.056 10.600 1.00 0.00 H new ATOM 97 N THR A 8 -2.221 -15.454 8.977 1.00 0.00 N ATOM 98 CA THR A 8 -0.825 -15.640 9.434 1.00 0.00 C ATOM 99 C THR A 8 0.225 -15.565 8.315 1.00 0.00 C ATOM 100 O THR A 8 1.352 -15.130 8.565 1.00 0.00 O ATOM 101 CB THR A 8 -0.654 -16.988 10.160 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.859 -18.067 9.270 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.613 -17.158 11.340 1.00 0.00 C ATOM 0 H THR A 8 -2.602 -16.280 8.515 1.00 0.00 H new ATOM 0 HA THR A 8 -0.648 -14.803 10.110 1.00 0.00 H new ATOM 0 HB THR A 8 0.367 -16.989 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.744 -18.914 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.443 -18.127 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.438 -16.366 12.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.642 -17.103 10.984 1.00 0.00 H new ATOM 111 N SER A 9 -0.120 -15.987 7.094 1.00 0.00 N ATOM 112 CA SER A 9 0.821 -16.362 6.022 1.00 0.00 C ATOM 113 C SER A 9 0.287 -16.008 4.618 1.00 0.00 C ATOM 114 O SER A 9 -0.787 -15.421 4.472 1.00 0.00 O ATOM 115 CB SER A 9 1.099 -17.875 6.106 1.00 0.00 C ATOM 116 OG SER A 9 1.594 -18.268 7.377 1.00 0.00 O ATOM 0 H SER A 9 -1.095 -16.082 6.810 1.00 0.00 H new ATOM 0 HA SER A 9 1.739 -15.793 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.181 -18.422 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.821 -18.152 5.337 1.00 0.00 H new ATOM 0 HG SER A 9 0.870 -18.228 8.036 1.00 0.00 H new ATOM 122 N ILE A 10 1.044 -16.335 3.563 1.00 0.00 N ATOM 123 CA ILE A 10 0.649 -16.078 2.165 1.00 0.00 C ATOM 124 C ILE A 10 -0.577 -16.893 1.700 1.00 0.00 C ATOM 125 O ILE A 10 -0.829 -18.009 2.162 1.00 0.00 O ATOM 126 CB ILE A 10 1.847 -16.216 1.187 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.799 -17.419 1.393 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.693 -14.932 1.256 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.147 -18.799 1.269 1.00 0.00 C ATOM 0 H ILE A 10 1.954 -16.788 3.652 1.00 0.00 H new ATOM 0 HA ILE A 10 0.326 -15.037 2.143 1.00 0.00 H new ATOM 0 HB ILE A 10 1.376 -16.391 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.607 -17.351 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.253 -17.337 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.538 -15.016 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.080 -14.077 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.060 -14.793 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.898 -19.572 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.359 -18.897 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.719 -18.911 0.273 1.00 0.00 H new ATOM 141 N CYS A 11 -1.320 -16.321 0.746 1.00 0.00 N ATOM 142 CA CYS A 11 -2.482 -16.907 0.069 1.00 0.00 C ATOM 143 C CYS A 11 -2.516 -16.523 -1.422 1.00 0.00 C ATOM 144 O CYS A 11 -2.093 -15.424 -1.797 1.00 0.00 O ATOM 145 CB CYS A 11 -3.777 -16.464 0.769 1.00 0.00 C ATOM 146 SG CYS A 11 -4.193 -17.452 2.224 1.00 0.00 S ATOM 0 H CYS A 11 -1.114 -15.382 0.406 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.398 -17.992 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.680 -15.420 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.601 -16.518 0.057 1.00 0.00 H new ATOM 151 N SER A 12 -3.053 -17.424 -2.249 1.00 0.00 N ATOM 152 CA SER A 12 -3.127 -17.340 -3.720 1.00 0.00 C ATOM 153 C SER A 12 -4.413 -18.007 -4.233 1.00 0.00 C ATOM 154 O SER A 12 -5.053 -18.765 -3.502 1.00 0.00 O ATOM 155 CB SER A 12 -1.905 -18.027 -4.355 1.00 0.00 C ATOM 156 OG SER A 12 -0.690 -17.409 -3.962 1.00 0.00 O ATOM 0 H SER A 12 -3.473 -18.283 -1.895 1.00 0.00 H new ATOM 0 HA SER A 12 -3.135 -16.287 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.888 -19.078 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.994 -17.996 -5.441 1.00 0.00 H new ATOM 0 HG SER A 12 0.064 -17.872 -4.383 1.00 0.00 H new ATOM 162 N LEU A 13 -4.799 -17.772 -5.495 1.00 0.00 N ATOM 163 CA LEU A 13 -6.062 -18.283 -6.066 1.00 0.00 C ATOM 164 C LEU A 13 -6.153 -19.821 -6.061 1.00 0.00 C ATOM 165 O LEU A 13 -7.237 -20.376 -5.892 1.00 0.00 O ATOM 166 CB LEU A 13 -6.246 -17.739 -7.498 1.00 0.00 C ATOM 167 CG LEU A 13 -6.423 -16.211 -7.610 1.00 0.00 C ATOM 168 CD1 LEU A 13 -6.416 -15.796 -9.081 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.738 -15.729 -6.993 1.00 0.00 C ATOM 0 H LEU A 13 -4.247 -17.222 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.868 -17.926 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.381 -18.032 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.117 -18.222 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.595 -15.758 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.541 -14.716 -9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.468 -16.083 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.234 -16.293 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.814 -14.647 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.575 -16.203 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.762 -15.994 -5.936 1.00 0.00 H new ATOM 181 N TYR A 14 -5.019 -20.523 -6.152 1.00 0.00 N ATOM 182 CA TYR A 14 -4.956 -21.986 -6.030 1.00 0.00 C ATOM 183 C TYR A 14 -5.399 -22.503 -4.643 1.00 0.00 C ATOM 184 O TYR A 14 -5.917 -23.614 -4.531 1.00 0.00 O ATOM 185 CB TYR A 14 -3.529 -22.437 -6.378 1.00 0.00 C ATOM 186 CG TYR A 14 -3.304 -23.940 -6.376 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.301 -24.505 -5.562 1.00 0.00 C ATOM 188 CD2 TYR A 14 -4.080 -24.772 -7.210 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.075 -25.895 -5.578 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.861 -26.164 -7.222 1.00 0.00 C ATOM 191 CZ TYR A 14 -2.857 -26.730 -6.407 1.00 0.00 C ATOM 192 OH TYR A 14 -2.643 -28.075 -6.435 1.00 0.00 O ATOM 0 H TYR A 14 -4.110 -20.089 -6.314 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.669 -22.423 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.274 -22.049 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.839 -21.982 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.704 -23.870 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.844 -24.341 -7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.303 -26.323 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.462 -26.799 -7.856 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.272 -28.493 -7.059 1.00 0.00 H new ATOM 202 N GLN A 15 -5.272 -21.689 -3.586 1.00 0.00 N ATOM 203 CA GLN A 15 -5.812 -22.002 -2.257 1.00 0.00 C ATOM 204 C GLN A 15 -7.315 -21.694 -2.121 1.00 0.00 C ATOM 205 O GLN A 15 -7.980 -22.314 -1.293 1.00 0.00 O ATOM 206 CB GLN A 15 -4.975 -21.314 -1.163 1.00 0.00 C ATOM 207 CG GLN A 15 -3.539 -21.861 -1.063 1.00 0.00 C ATOM 208 CD GLN A 15 -3.449 -23.332 -0.635 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.401 -23.967 -0.194 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.286 -23.939 -0.745 1.00 0.00 N ATOM 0 H GLN A 15 -4.790 -20.791 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.731 -23.081 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.936 -20.243 -1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.472 -21.440 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.051 -21.747 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.981 -21.253 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.479 -23.433 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.192 -24.916 -0.466 1.00 0.00 H new ATOM 219 N LEU A 16 -7.893 -20.831 -2.970 1.00 0.00 N ATOM 220 CA LEU A 16 -9.354 -20.767 -3.133 1.00 0.00 C ATOM 221 C LEU A 16 -9.870 -22.019 -3.861 1.00 0.00 C ATOM 222 O LEU A 16 -10.811 -22.651 -3.390 1.00 0.00 O ATOM 223 CB LEU A 16 -9.793 -19.481 -3.861 1.00 0.00 C ATOM 224 CG LEU A 16 -9.368 -18.157 -3.200 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.938 -16.988 -4.003 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.868 -18.025 -1.760 1.00 0.00 C ATOM 0 H LEU A 16 -7.375 -20.172 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.798 -20.739 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.391 -19.505 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.879 -19.489 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.278 -18.147 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.640 -16.048 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.556 -17.026 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.026 -17.055 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.538 -17.072 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.957 -18.068 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.466 -18.841 -1.159 1.00 0.00 H new ATOM 238 N GLU A 17 -9.210 -22.440 -4.947 1.00 0.00 N ATOM 239 CA GLU A 17 -9.518 -23.678 -5.696 1.00 0.00 C ATOM 240 C GLU A 17 -9.422 -24.964 -4.842 1.00 0.00 C ATOM 241 O GLU A 17 -10.031 -25.982 -5.174 1.00 0.00 O ATOM 242 CB GLU A 17 -8.571 -23.802 -6.904 1.00 0.00 C ATOM 243 CG GLU A 17 -8.811 -22.767 -8.017 1.00 0.00 C ATOM 244 CD GLU A 17 -10.014 -23.087 -8.932 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.662 -22.142 -9.436 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.310 -24.273 -9.208 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.427 -21.921 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.556 -23.590 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.543 -23.707 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.673 -24.801 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.966 -21.789 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.912 -22.694 -8.630 1.00 0.00 H new ATOM 253 N ASN A 18 -8.703 -24.923 -3.714 1.00 0.00 N ATOM 254 CA ASN A 18 -8.615 -26.011 -2.730 1.00 0.00 C ATOM 255 C ASN A 18 -9.977 -26.314 -2.044 1.00 0.00 C ATOM 256 O ASN A 18 -10.185 -27.421 -1.543 1.00 0.00 O ATOM 257 CB ASN A 18 -7.510 -25.614 -1.727 1.00 0.00 C ATOM 258 CG ASN A 18 -6.922 -26.750 -0.902 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.283 -27.915 -1.000 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.948 -26.446 -0.073 1.00 0.00 N ATOM 0 H ASN A 18 -8.149 -24.108 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.358 -26.949 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.701 -25.135 -2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.917 -24.868 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.502 -27.178 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.638 -25.478 0.017 1.00 0.00 H new ATOM 267 N TYR A 19 -10.923 -25.362 -2.065 1.00 0.00 N ATOM 268 CA TYR A 19 -12.280 -25.491 -1.497 1.00 0.00 C ATOM 269 C TYR A 19 -13.378 -25.181 -2.527 1.00 0.00 C ATOM 270 O TYR A 19 -14.389 -25.882 -2.593 1.00 0.00 O ATOM 271 CB TYR A 19 -12.392 -24.603 -0.247 1.00 0.00 C ATOM 272 CG TYR A 19 -11.380 -24.979 0.821 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.685 -25.996 1.747 1.00 0.00 C ATOM 274 CD2 TYR A 19 -10.098 -24.393 0.818 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.708 -26.433 2.662 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.113 -24.848 1.715 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.417 -25.860 2.648 1.00 0.00 C ATOM 278 OH TYR A 19 -8.461 -26.275 3.523 1.00 0.00 O ATOM 0 H TYR A 19 -10.762 -24.450 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.438 -26.530 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.247 -23.561 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.398 -24.684 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.669 -26.441 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.871 -23.594 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.946 -27.208 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.122 -24.420 1.688 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.635 -25.771 3.368 1.00 0.00 H new ATOM 288 N CYS A 20 -13.155 -24.195 -3.397 1.00 0.00 N ATOM 289 CA CYS A 20 -13.870 -24.001 -4.658 1.00 0.00 C ATOM 290 C CYS A 20 -13.423 -25.064 -5.690 1.00 0.00 C ATOM 291 O CYS A 20 -12.714 -24.758 -6.648 1.00 0.00 O ATOM 292 CB CYS A 20 -13.631 -22.552 -5.117 1.00 0.00 C ATOM 293 SG CYS A 20 -14.470 -22.054 -6.644 1.00 0.00 S ATOM 0 H CYS A 20 -12.443 -23.482 -3.236 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.944 -24.142 -4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.947 -21.882 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.559 -22.406 -5.251 1.00 0.00 H new ATOM 298 N GLY A 21 -13.772 -26.335 -5.439 1.00 0.00 N ATOM 299 CA GLY A 21 -13.350 -27.512 -6.218 1.00 0.00 C ATOM 300 C GLY A 21 -14.173 -27.738 -7.486 1.00 0.00 C ATOM 301 O GLY A 21 -13.666 -27.437 -8.588 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.316 -28.231 -7.363 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.379 -26.582 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.301 -27.398 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.420 -28.398 -5.587 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -6.596 -8.887 -2.989 1.00 0.00 N ATOM 308 CA PHE B 1 -6.561 -10.342 -2.678 1.00 0.00 C ATOM 309 C PHE B 1 -5.140 -10.912 -2.538 1.00 0.00 C ATOM 310 O PHE B 1 -4.801 -11.418 -1.470 1.00 0.00 O ATOM 311 CB PHE B 1 -7.400 -11.183 -3.665 1.00 0.00 C ATOM 312 CG PHE B 1 -7.225 -12.678 -3.452 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.384 -13.421 -4.303 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.807 -13.303 -2.333 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.103 -14.767 -4.016 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.535 -14.655 -2.054 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.676 -15.387 -2.893 1.00 0.00 C ATOM 0 H1 PHE B 1 -7.581 -8.587 -3.136 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.186 -8.353 -2.197 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.046 -8.703 -3.852 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.025 -10.423 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.453 -10.924 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.116 -10.929 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -5.954 -12.955 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.465 -12.742 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -5.443 -15.328 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.986 -15.131 -1.196 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.458 -16.422 -2.675 1.00 0.00 H new ATOM 329 N VAL B 2 -4.323 -10.920 -3.603 1.00 0.00 N ATOM 330 CA VAL B 2 -3.119 -11.777 -3.692 1.00 0.00 C ATOM 331 C VAL B 2 -2.060 -11.496 -2.609 1.00 0.00 C ATOM 332 O VAL B 2 -1.679 -10.349 -2.367 1.00 0.00 O ATOM 333 CB VAL B 2 -2.535 -11.741 -5.123 1.00 0.00 C ATOM 334 CG1 VAL B 2 -1.969 -10.375 -5.535 1.00 0.00 C ATOM 335 CG2 VAL B 2 -1.440 -12.793 -5.324 1.00 0.00 C ATOM 0 H VAL B 2 -4.473 -10.337 -4.426 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.446 -12.795 -3.481 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.391 -11.959 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -1.579 -10.434 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -2.760 -9.626 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.166 -10.094 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.059 -12.731 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -0.627 -12.611 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -1.854 -13.786 -5.151 1.00 0.00 H new ATOM 345 N ASN B 3 -1.575 -12.564 -1.964 1.00 0.00 N ATOM 346 CA ASN B 3 -0.441 -12.578 -1.023 1.00 0.00 C ATOM 347 C ASN B 3 -0.538 -11.546 0.135 1.00 0.00 C ATOM 348 O ASN B 3 0.482 -11.007 0.573 1.00 0.00 O ATOM 349 CB ASN B 3 0.899 -12.516 -1.799 1.00 0.00 C ATOM 350 CG ASN B 3 1.202 -13.627 -2.803 1.00 0.00 C ATOM 351 OD1 ASN B 3 2.155 -13.532 -3.564 1.00 0.00 O ATOM 352 ND2 ASN B 3 0.456 -14.709 -2.868 1.00 0.00 N ATOM 0 H ASN B 3 -1.982 -13.491 -2.089 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.485 -13.531 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.931 -11.566 -2.333 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.707 -12.498 -1.068 1.00 0.00 H new ATOM 0 HD21 ASN B 3 0.679 -15.442 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.345 -14.814 -2.245 1.00 0.00 H new ATOM 359 N GLN B 4 -1.748 -11.267 0.642 1.00 0.00 N ATOM 360 CA GLN B 4 -1.991 -10.304 1.733 1.00 0.00 C ATOM 361 C GLN B 4 -2.956 -10.843 2.807 1.00 0.00 C ATOM 362 O GLN B 4 -3.720 -11.783 2.574 1.00 0.00 O ATOM 363 CB GLN B 4 -2.435 -8.949 1.149 1.00 0.00 C ATOM 364 CG GLN B 4 -3.895 -8.943 0.650 1.00 0.00 C ATOM 365 CD GLN B 4 -4.153 -8.106 -0.605 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.167 -7.433 -0.730 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.316 -8.136 -1.620 1.00 0.00 N ATOM 0 H GLN B 4 -2.601 -11.710 0.302 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.051 -10.150 2.262 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -2.316 -8.178 1.910 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -1.776 -8.685 0.322 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.198 -9.971 0.450 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.534 -8.573 1.452 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.458 -8.685 -1.558 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.525 -7.611 -2.469 1.00 0.00 H new ATOM 376 N HIS B 5 -2.903 -10.248 4.002 1.00 0.00 N ATOM 377 CA HIS B 5 -3.377 -10.858 5.255 1.00 0.00 C ATOM 378 C HIS B 5 -4.792 -10.445 5.704 1.00 0.00 C ATOM 379 O HIS B 5 -5.081 -10.421 6.904 1.00 0.00 O ATOM 380 CB HIS B 5 -2.317 -10.657 6.355 1.00 0.00 C ATOM 381 CG HIS B 5 -0.919 -11.078 5.958 1.00 0.00 C ATOM 382 ND1 HIS B 5 -0.036 -10.332 5.167 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.319 -12.256 6.292 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.075 -11.081 5.048 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.933 -12.238 5.717 1.00 0.00 N ATOM 0 H HIS B 5 -2.523 -9.311 4.132 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.497 -11.922 5.053 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.300 -9.605 6.639 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.616 -11.221 7.239 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.743 -13.049 6.891 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.956 -10.793 4.494 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.633 -12.977 5.787 1.00 0.00 H new ATOM 393 N LEU B 6 -5.685 -10.106 4.766 1.00 0.00 N ATOM 394 CA LEU B 6 -7.089 -9.779 5.067 1.00 0.00 C ATOM 395 C LEU B 6 -7.787 -10.996 5.713 1.00 0.00 C ATOM 396 O LEU B 6 -7.681 -12.118 5.214 1.00 0.00 O ATOM 397 CB LEU B 6 -7.770 -9.255 3.781 1.00 0.00 C ATOM 398 CG LEU B 6 -9.140 -8.550 3.905 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.323 -9.501 4.086 1.00 0.00 C ATOM 400 CD2 LEU B 6 -9.175 -7.494 5.011 1.00 0.00 C ATOM 0 H LEU B 6 -5.456 -10.050 3.774 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.162 -8.979 5.803 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.082 -8.559 3.302 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.892 -10.100 3.103 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.254 -8.058 2.939 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.245 -8.924 4.165 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.386 -10.171 3.228 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.183 -10.087 4.994 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -10.164 -7.036 5.046 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.959 -7.964 5.970 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.428 -6.728 4.806 1.00 0.00 H new ATOM 412 N CYS B 7 -8.450 -10.780 6.851 1.00 0.00 N ATOM 413 CA CYS B 7 -8.844 -11.829 7.799 1.00 0.00 C ATOM 414 C CYS B 7 -10.332 -11.721 8.212 1.00 0.00 C ATOM 415 O CYS B 7 -10.923 -10.638 8.163 1.00 0.00 O ATOM 416 CB CYS B 7 -7.861 -11.745 8.983 1.00 0.00 C ATOM 417 SG CYS B 7 -7.951 -13.044 10.242 1.00 0.00 S ATOM 0 H CYS B 7 -8.736 -9.847 7.148 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.779 -12.816 7.341 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.849 -11.738 8.579 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -8.013 -10.786 9.478 1.00 0.00 H new ATOM 422 N GLY B 8 -10.944 -12.842 8.618 1.00 0.00 N ATOM 423 CA GLY B 8 -12.382 -12.954 8.921 1.00 0.00 C ATOM 424 C GLY B 8 -13.282 -13.126 7.684 1.00 0.00 C ATOM 425 O GLY B 8 -12.802 -13.159 6.545 1.00 0.00 O ATOM 0 H GLY B 8 -10.442 -13.720 8.749 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.535 -13.803 9.587 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.697 -12.062 9.463 1.00 0.00 H new ATOM 429 N SER B 9 -14.598 -13.249 7.897 1.00 0.00 N ATOM 430 CA SER B 9 -15.560 -13.651 6.848 1.00 0.00 C ATOM 431 C SER B 9 -15.667 -12.721 5.637 1.00 0.00 C ATOM 432 O SER B 9 -16.153 -13.164 4.600 1.00 0.00 O ATOM 433 CB SER B 9 -16.962 -13.892 7.419 1.00 0.00 C ATOM 434 OG SER B 9 -17.613 -12.682 7.781 1.00 0.00 O ATOM 0 H SER B 9 -15.033 -13.073 8.803 1.00 0.00 H new ATOM 0 HA SER B 9 -15.130 -14.580 6.474 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.566 -14.420 6.681 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.889 -14.538 8.294 1.00 0.00 H new ATOM 0 HG SER B 9 -18.081 -12.317 7.002 1.00 0.00 H new ATOM 440 N HIS B 10 -15.160 -11.484 5.684 1.00 0.00 N ATOM 441 CA HIS B 10 -15.074 -10.638 4.484 1.00 0.00 C ATOM 442 C HIS B 10 -14.235 -11.277 3.366 1.00 0.00 C ATOM 443 O HIS B 10 -14.552 -11.065 2.195 1.00 0.00 O ATOM 444 CB HIS B 10 -14.561 -9.233 4.841 1.00 0.00 C ATOM 445 CG HIS B 10 -15.564 -8.334 5.538 1.00 0.00 C ATOM 446 ND1 HIS B 10 -15.357 -6.977 5.809 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.826 -8.668 5.946 1.00 0.00 C ATOM 448 CE1 HIS B 10 -16.496 -6.527 6.365 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.393 -7.523 6.461 1.00 0.00 N ATOM 0 H HIS B 10 -14.804 -11.047 6.534 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.085 -10.543 4.089 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.684 -9.336 5.481 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.232 -8.741 3.926 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -17.289 -9.641 5.878 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -16.665 -5.510 6.688 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.333 -7.445 6.849 1.00 0.00 H new ATOM 457 N LEU B 11 -13.239 -12.120 3.681 1.00 0.00 N ATOM 458 CA LEU B 11 -12.527 -12.904 2.661 1.00 0.00 C ATOM 459 C LEU B 11 -13.356 -14.094 2.130 1.00 0.00 C ATOM 460 O LEU B 11 -13.250 -14.427 0.953 1.00 0.00 O ATOM 461 CB LEU B 11 -11.140 -13.327 3.187 1.00 0.00 C ATOM 462 CG LEU B 11 -10.242 -14.012 2.130 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.083 -13.196 0.844 1.00 0.00 C ATOM 464 CD2 LEU B 11 -8.828 -14.215 2.674 1.00 0.00 C ATOM 0 H LEU B 11 -12.909 -12.276 4.634 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.374 -12.262 1.794 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.625 -12.446 3.569 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.275 -14.007 4.028 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.743 -14.954 1.907 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.441 -13.736 0.148 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.061 -13.039 0.389 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.633 -12.231 1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.212 -14.698 1.915 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.395 -13.248 2.931 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.867 -14.843 3.564 1.00 0.00 H new ATOM 476 N VAL B 12 -14.231 -14.694 2.947 1.00 0.00 N ATOM 477 CA VAL B 12 -15.202 -15.718 2.498 1.00 0.00 C ATOM 478 C VAL B 12 -16.242 -15.099 1.561 1.00 0.00 C ATOM 479 O VAL B 12 -16.500 -15.608 0.473 1.00 0.00 O ATOM 480 CB VAL B 12 -15.912 -16.403 3.687 1.00 0.00 C ATOM 481 CG1 VAL B 12 -16.892 -17.492 3.229 1.00 0.00 C ATOM 482 CG2 VAL B 12 -14.906 -17.051 4.637 1.00 0.00 C ATOM 0 H VAL B 12 -14.291 -14.487 3.944 1.00 0.00 H new ATOM 0 HA VAL B 12 -14.638 -16.480 1.960 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.461 -15.612 4.198 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.366 -17.944 4.100 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -17.655 -17.049 2.589 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.351 -18.257 2.672 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.438 -17.524 5.463 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.329 -17.803 4.098 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.232 -16.289 5.029 1.00 0.00 H new ATOM 492 N GLU B 13 -16.803 -13.956 1.950 1.00 0.00 N ATOM 493 CA GLU B 13 -17.779 -13.195 1.164 1.00 0.00 C ATOM 494 C GLU B 13 -17.170 -12.685 -0.157 1.00 0.00 C ATOM 495 O GLU B 13 -17.845 -12.692 -1.188 1.00 0.00 O ATOM 496 CB GLU B 13 -18.321 -12.039 2.024 1.00 0.00 C ATOM 497 CG GLU B 13 -19.134 -12.529 3.240 1.00 0.00 C ATOM 498 CD GLU B 13 -19.230 -11.463 4.352 1.00 0.00 C ATOM 499 OE1 GLU B 13 -19.582 -10.296 4.052 1.00 0.00 O ATOM 500 OE2 GLU B 13 -18.979 -11.791 5.539 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.587 -13.519 2.846 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.605 -13.851 0.887 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.487 -11.429 2.372 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -18.950 -11.397 1.407 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.138 -12.803 2.916 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.672 -13.430 3.643 1.00 0.00 H new ATOM 507 N ALA B 14 -15.878 -12.329 -0.162 1.00 0.00 N ATOM 508 CA ALA B 14 -15.117 -12.053 -1.380 1.00 0.00 C ATOM 509 C ALA B 14 -14.873 -13.316 -2.230 1.00 0.00 C ATOM 510 O ALA B 14 -15.001 -13.252 -3.447 1.00 0.00 O ATOM 511 CB ALA B 14 -13.797 -11.372 -1.002 1.00 0.00 C ATOM 0 H ALA B 14 -15.329 -12.224 0.691 1.00 0.00 H new ATOM 0 HA ALA B 14 -15.709 -11.385 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.224 -11.163 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.006 -10.438 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.221 -12.030 -0.351 1.00 0.00 H new ATOM 517 N LEU B 15 -14.586 -14.478 -1.635 1.00 0.00 N ATOM 518 CA LEU B 15 -14.433 -15.772 -2.327 1.00 0.00 C ATOM 519 C LEU B 15 -15.718 -16.179 -3.087 1.00 0.00 C ATOM 520 O LEU B 15 -15.632 -16.605 -4.243 1.00 0.00 O ATOM 521 CB LEU B 15 -13.880 -16.776 -1.285 1.00 0.00 C ATOM 522 CG LEU B 15 -14.024 -18.303 -1.438 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.389 -18.798 -0.968 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.724 -18.852 -2.831 1.00 0.00 C ATOM 0 H LEU B 15 -14.448 -14.552 -0.627 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.710 -15.729 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -12.813 -16.573 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.337 -16.515 -0.330 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.245 -18.699 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.447 -19.879 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.525 -18.547 0.084 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.172 -18.322 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.854 -19.934 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.406 -18.404 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.697 -18.610 -3.104 1.00 0.00 H new ATOM 536 N TYR B 16 -16.906 -15.907 -2.533 1.00 0.00 N ATOM 537 CA TYR B 16 -18.198 -16.026 -3.238 1.00 0.00 C ATOM 538 C TYR B 16 -18.406 -15.036 -4.410 1.00 0.00 C ATOM 539 O TYR B 16 -19.413 -15.136 -5.114 1.00 0.00 O ATOM 540 CB TYR B 16 -19.361 -15.985 -2.227 1.00 0.00 C ATOM 541 CG TYR B 16 -19.590 -17.300 -1.498 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.246 -18.358 -2.162 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.154 -17.478 -0.172 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.430 -19.598 -1.517 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.329 -18.717 0.475 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.961 -19.784 -0.198 1.00 0.00 C ATOM 547 OH TYR B 16 -20.117 -20.981 0.432 1.00 0.00 O ATOM 0 H TYR B 16 -17.003 -15.593 -1.567 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.180 -16.999 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.164 -15.203 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.276 -15.707 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.609 -18.217 -3.169 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -18.683 -16.660 0.353 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.930 -20.406 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -18.979 -18.850 1.488 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.734 -20.929 1.333 1.00 0.00 H new ATOM 557 N LEU B 17 -17.455 -14.132 -4.680 1.00 0.00 N ATOM 558 CA LEU B 17 -17.403 -13.275 -5.877 1.00 0.00 C ATOM 559 C LEU B 17 -16.180 -13.581 -6.769 1.00 0.00 C ATOM 560 O LEU B 17 -16.298 -13.590 -7.995 1.00 0.00 O ATOM 561 CB LEU B 17 -17.416 -11.795 -5.443 1.00 0.00 C ATOM 562 CG LEU B 17 -18.644 -11.362 -4.614 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.446 -9.933 -4.107 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.938 -11.406 -5.430 1.00 0.00 C ATOM 0 H LEU B 17 -16.670 -13.970 -4.049 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.283 -13.486 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.516 -11.596 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.362 -11.171 -6.335 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.733 -12.064 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.315 -9.631 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.554 -9.889 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.327 -9.259 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.774 -11.093 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.853 -10.734 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.111 -12.422 -5.784 1.00 0.00 H new ATOM 576 N VAL B 18 -15.016 -13.854 -6.166 1.00 0.00 N ATOM 577 CA VAL B 18 -13.735 -14.138 -6.841 1.00 0.00 C ATOM 578 C VAL B 18 -13.747 -15.502 -7.539 1.00 0.00 C ATOM 579 O VAL B 18 -13.384 -15.580 -8.714 1.00 0.00 O ATOM 580 CB VAL B 18 -12.560 -14.027 -5.842 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.224 -14.534 -6.401 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.343 -12.567 -5.418 1.00 0.00 C ATOM 0 H VAL B 18 -14.934 -13.885 -5.150 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.596 -13.387 -7.619 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.849 -14.656 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.448 -14.424 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.319 -15.585 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.955 -13.953 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.512 -12.512 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.116 -11.963 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.247 -12.188 -4.941 1.00 0.00 H new ATOM 592 N CYS B 19 -14.185 -16.567 -6.852 1.00 0.00 N ATOM 593 CA CYS B 19 -14.378 -17.881 -7.477 1.00 0.00 C ATOM 594 C CYS B 19 -15.795 -17.999 -8.068 1.00 0.00 C ATOM 595 O CYS B 19 -15.957 -18.297 -9.250 1.00 0.00 O ATOM 596 CB CYS B 19 -14.036 -19.001 -6.482 1.00 0.00 C ATOM 597 SG CYS B 19 -13.372 -20.474 -7.305 1.00 0.00 S ATOM 0 H CYS B 19 -14.413 -16.542 -5.858 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.690 -17.990 -8.315 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.308 -18.632 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.931 -19.273 -5.922 1.00 0.00 H new ATOM 602 N GLY B 20 -16.819 -17.663 -7.273 1.00 0.00 N ATOM 603 CA GLY B 20 -18.198 -17.382 -7.705 1.00 0.00 C ATOM 604 C GLY B 20 -19.072 -18.562 -8.174 1.00 0.00 C ATOM 605 O GLY B 20 -20.211 -18.690 -7.722 1.00 0.00 O ATOM 0 H GLY B 20 -16.705 -17.575 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.713 -16.895 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -18.150 -16.659 -8.520 1.00 0.00 H new ATOM 609 N GLU B 21 -18.594 -19.398 -9.098 1.00 0.00 N ATOM 610 CA GLU B 21 -19.450 -20.273 -9.927 1.00 0.00 C ATOM 611 C GLU B 21 -19.976 -21.548 -9.233 1.00 0.00 C ATOM 612 O GLU B 21 -21.190 -21.770 -9.172 1.00 0.00 O ATOM 613 CB GLU B 21 -18.801 -20.627 -11.293 1.00 0.00 C ATOM 614 CG GLU B 21 -17.351 -20.191 -11.582 1.00 0.00 C ATOM 615 CD GLU B 21 -16.270 -20.972 -10.802 1.00 0.00 C ATOM 616 OE1 GLU B 21 -15.088 -20.959 -11.219 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.581 -21.644 -9.793 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.599 -19.493 -9.299 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.330 -19.654 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.844 -21.711 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.431 -20.202 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -17.160 -20.302 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.252 -19.131 -11.349 1.00 0.00 H new ATOM 624 N ARG B 22 -19.073 -22.419 -8.767 1.00 0.00 N ATOM 625 CA ARG B 22 -19.352 -23.839 -8.464 1.00 0.00 C ATOM 626 C ARG B 22 -20.261 -24.109 -7.256 1.00 0.00 C ATOM 627 O ARG B 22 -21.020 -25.080 -7.285 1.00 0.00 O ATOM 628 CB ARG B 22 -18.001 -24.562 -8.295 1.00 0.00 C ATOM 629 CG ARG B 22 -17.422 -25.001 -9.652 1.00 0.00 C ATOM 630 CD ARG B 22 -15.917 -25.283 -9.572 1.00 0.00 C ATOM 631 NE ARG B 22 -15.140 -24.042 -9.710 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.830 -23.910 -9.753 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.004 -24.898 -9.585 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.325 -22.742 -9.992 1.00 0.00 N ATOM 0 H ARG B 22 -18.105 -22.156 -8.584 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.928 -24.223 -9.306 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.294 -23.901 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.132 -25.434 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.941 -25.896 -9.994 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.606 -24.223 -10.393 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.683 -25.759 -8.620 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.632 -25.984 -10.357 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.680 -23.180 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.361 -25.837 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.998 -24.735 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.939 -21.942 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.313 -22.622 -10.029 1.00 0.00 H new ATOM 648 N GLY B 23 -20.179 -23.292 -6.203 1.00 0.00 N ATOM 649 CA GLY B 23 -20.652 -23.651 -4.856 1.00 0.00 C ATOM 650 C GLY B 23 -19.682 -24.635 -4.181 1.00 0.00 C ATOM 651 O GLY B 23 -19.291 -25.645 -4.772 1.00 0.00 O ATOM 0 H GLY B 23 -19.780 -22.355 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -20.747 -22.752 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -21.644 -24.098 -4.921 1.00 0.00 H new ATOM 655 N PHE B 24 -19.209 -24.300 -2.978 1.00 0.00 N ATOM 656 CA PHE B 24 -17.874 -24.720 -2.520 1.00 0.00 C ATOM 657 C PHE B 24 -17.891 -25.722 -1.357 1.00 0.00 C ATOM 658 O PHE B 24 -18.806 -25.739 -0.530 1.00 0.00 O ATOM 659 CB PHE B 24 -17.039 -23.473 -2.192 1.00 0.00 C ATOM 660 CG PHE B 24 -17.197 -22.319 -3.172 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.421 -21.026 -2.672 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.197 -22.530 -4.568 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.645 -19.959 -3.553 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.450 -21.462 -5.448 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.679 -20.176 -4.937 1.00 0.00 C ATOM 0 H PHE B 24 -19.727 -23.740 -2.301 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.410 -25.271 -3.338 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.310 -23.124 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -15.987 -23.757 -2.155 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.421 -20.853 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.002 -23.516 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -17.792 -18.963 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.468 -21.632 -6.514 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.881 -19.355 -5.609 1.00 0.00 H new ATOM 675 N PHE B 25 -16.842 -26.543 -1.275 1.00 0.00 N ATOM 676 CA PHE B 25 -16.676 -27.630 -0.306 1.00 0.00 C ATOM 677 C PHE B 25 -16.105 -27.140 1.045 1.00 0.00 C ATOM 678 O PHE B 25 -15.148 -27.701 1.584 1.00 0.00 O ATOM 679 CB PHE B 25 -15.860 -28.755 -0.970 1.00 0.00 C ATOM 680 CG PHE B 25 -15.982 -30.108 -0.292 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.154 -30.871 -0.466 1.00 0.00 C ATOM 682 CD2 PHE B 25 -14.932 -30.618 0.497 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.278 -32.130 0.148 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.057 -31.877 1.113 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.230 -32.633 0.939 1.00 0.00 C ATOM 0 H PHE B 25 -16.048 -26.465 -1.911 1.00 0.00 H new ATOM 0 HA PHE B 25 -17.650 -28.037 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.178 -28.853 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -14.810 -28.464 -0.985 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -17.960 -30.487 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.029 -30.041 0.629 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.178 -32.711 0.012 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.251 -32.263 1.720 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.326 -33.599 1.412 1.00 0.00 H new ATOM 695 N TYR B 26 -16.669 -26.061 1.600 1.00 0.00 N ATOM 696 CA TYR B 26 -16.341 -25.604 2.955 1.00 0.00 C ATOM 697 C TYR B 26 -16.803 -26.643 3.992 1.00 0.00 C ATOM 698 O TYR B 26 -17.990 -26.967 4.080 1.00 0.00 O ATOM 699 CB TYR B 26 -16.950 -24.217 3.240 1.00 0.00 C ATOM 700 CG TYR B 26 -15.935 -23.089 3.234 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.950 -23.041 4.242 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.977 -22.086 2.245 1.00 0.00 C ATOM 703 CE1 TYR B 26 -14.004 -21.999 4.263 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.032 -21.041 2.265 1.00 0.00 C ATOM 705 CZ TYR B 26 -14.043 -20.996 3.269 1.00 0.00 C ATOM 706 OH TYR B 26 -13.134 -19.985 3.279 1.00 0.00 O ATOM 0 H TYR B 26 -17.362 -25.483 1.125 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.258 -25.502 3.031 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -17.717 -24.007 2.494 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.447 -24.241 4.210 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.921 -23.808 5.002 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.732 -22.118 1.473 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.251 -21.966 5.036 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -15.065 -20.271 1.508 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.305 -19.384 2.524 1.00 0.00 H new ATOM 716 N THR B 27 -15.856 -27.162 4.781 1.00 0.00 N ATOM 717 CA THR B 27 -16.105 -28.147 5.849 1.00 0.00 C ATOM 718 C THR B 27 -15.133 -28.082 7.052 1.00 0.00 C ATOM 719 O THR B 27 -15.620 -28.248 8.176 1.00 0.00 O ATOM 720 CB THR B 27 -16.265 -29.568 5.261 1.00 0.00 C ATOM 721 OG1 THR B 27 -16.693 -30.466 6.262 1.00 0.00 O ATOM 722 CG2 THR B 27 -15.012 -30.173 4.628 1.00 0.00 C ATOM 0 H THR B 27 -14.872 -26.906 4.696 1.00 0.00 H new ATOM 0 HA THR B 27 -17.056 -27.861 6.298 1.00 0.00 H new ATOM 0 HB THR B 27 -16.996 -29.435 4.464 1.00 0.00 H new ATOM 0 HG1 THR B 27 -16.792 -31.362 5.877 1.00 0.00 H new ATOM 0 HG21 THR B 27 -15.240 -31.169 4.249 1.00 0.00 H new ATOM 0 HG22 THR B 27 -14.678 -29.540 3.806 1.00 0.00 H new ATOM 0 HG23 THR B 27 -14.223 -30.242 5.377 1.00 0.00 H new ATOM 730 N PRO B 28 -13.821 -27.742 6.935 1.00 0.00 N ATOM 731 CA PRO B 28 -12.956 -27.524 8.105 1.00 0.00 C ATOM 732 C PRO B 28 -13.146 -26.100 8.671 1.00 0.00 C ATOM 733 O PRO B 28 -12.235 -25.265 8.629 1.00 0.00 O ATOM 734 CB PRO B 28 -11.540 -27.828 7.611 1.00 0.00 C ATOM 735 CG PRO B 28 -11.572 -27.314 6.177 1.00 0.00 C ATOM 736 CD PRO B 28 -13.011 -27.579 5.725 1.00 0.00 C ATOM 0 HA PRO B 28 -13.197 -28.170 8.949 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.784 -27.318 8.208 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -11.315 -28.894 7.655 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.326 -26.253 6.127 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.852 -27.838 5.548 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.383 -26.751 5.121 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.061 -28.474 5.105 1.00 0.00 H new ATOM 744 N LYS B 29 -14.362 -25.849 9.181 1.00 0.00 N ATOM 745 CA LYS B 29 -14.975 -24.555 9.551 1.00 0.00 C ATOM 746 C LYS B 29 -15.181 -23.600 8.365 1.00 0.00 C ATOM 747 O LYS B 29 -14.234 -23.249 7.659 1.00 0.00 O ATOM 748 CB LYS B 29 -14.192 -23.852 10.679 1.00 0.00 C ATOM 749 CG LYS B 29 -14.018 -24.679 11.971 1.00 0.00 C ATOM 750 CD LYS B 29 -12.557 -24.728 12.450 1.00 0.00 C ATOM 751 CE LYS B 29 -11.997 -23.326 12.734 1.00 0.00 C ATOM 752 NZ LYS B 29 -10.542 -23.355 13.028 1.00 0.00 N1+ ATOM 0 H LYS B 29 -15.006 -26.619 9.364 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.969 -24.810 9.918 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.205 -23.584 10.302 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.702 -22.921 10.928 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.640 -24.252 12.758 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.374 -25.695 11.799 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.492 -25.334 13.354 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.944 -25.217 11.693 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.180 -22.682 11.874 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.529 -22.888 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.146 -22.400 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.392 -23.677 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.068 -24.008 12.372 1.00 0.00 H new ATOM 766 N THR B 30 -16.406 -23.096 8.201 1.00 0.00 N ATOM 767 CA THR B 30 -16.666 -21.874 7.416 1.00 0.00 C ATOM 768 C THR B 30 -16.111 -20.675 8.190 1.00 0.00 C ATOM 769 O THR B 30 -16.373 -20.524 9.387 1.00 0.00 O ATOM 770 CB THR B 30 -18.161 -21.686 7.112 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.662 -22.842 6.474 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.413 -20.503 6.173 1.00 0.00 C ATOM 0 H THR B 30 -17.244 -23.515 8.603 1.00 0.00 H new ATOM 0 HA THR B 30 -16.167 -21.963 6.451 1.00 0.00 H new ATOM 0 HB THR B 30 -18.659 -21.501 8.064 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.616 -22.722 6.282 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.483 -20.408 5.986 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.043 -19.587 6.634 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.893 -20.670 5.230 1.00 0.00 H new ATOM 780 N ARG B 31 -15.279 -19.853 7.543 1.00 0.00 N ATOM 781 CA ARG B 31 -14.375 -18.912 8.226 1.00 0.00 C ATOM 782 C ARG B 31 -15.048 -17.610 8.694 1.00 0.00 C ATOM 783 O ARG B 31 -14.983 -16.585 8.018 1.00 0.00 O ATOM 784 CB ARG B 31 -13.140 -18.683 7.336 1.00 0.00 C ATOM 785 CG ARG B 31 -12.116 -19.826 7.452 1.00 0.00 C ATOM 786 CD ARG B 31 -11.052 -19.617 8.545 1.00 0.00 C ATOM 787 NE ARG B 31 -11.551 -19.736 9.925 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.895 -18.758 10.744 1.00 0.00 C ATOM 789 NH1 ARG B 31 -12.154 -17.556 10.330 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -11.974 -18.985 12.017 1.00 0.00 N ATOM 0 H ARG B 31 -15.211 -19.819 6.526 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.058 -19.365 9.165 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.456 -18.586 6.297 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.664 -17.742 7.614 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.648 -20.756 7.653 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.614 -19.947 6.492 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.254 -20.344 8.399 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.610 -18.629 8.418 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.642 -20.684 10.291 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -12.096 -17.335 9.336 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.416 -16.832 10.999 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.771 -19.915 12.383 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.239 -18.233 12.654 1.00 0.00 H new ATOM 804 N ARG B 32 -15.631 -17.656 9.896 1.00 0.00 N ATOM 805 CA ARG B 32 -16.082 -16.509 10.714 1.00 0.00 C ATOM 806 C ARG B 32 -14.934 -15.552 11.065 1.00 0.00 C ATOM 807 O ARG B 32 -15.057 -14.355 10.721 1.00 0.00 O ATOM 808 CB ARG B 32 -16.829 -17.074 11.945 1.00 0.00 C ATOM 809 CG ARG B 32 -16.980 -16.196 13.205 1.00 0.00 C ATOM 810 CD ARG B 32 -17.442 -14.742 13.030 1.00 0.00 C ATOM 811 NE ARG B 32 -18.596 -14.592 12.122 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.638 -13.858 11.026 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.592 -13.262 10.542 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.746 -13.714 10.362 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.936 -16.001 11.672 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.815 -18.546 10.358 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.770 -15.884 10.145 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.831 -17.355 11.620 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -16.321 -17.991 12.244 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.686 -16.691 13.872 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -16.017 -16.179 13.716 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.703 -14.333 14.006 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.611 -14.149 12.648 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.443 -15.105 12.365 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.691 -13.351 11.012 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.671 -12.704 9.692 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.598 -14.171 10.686 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.763 -13.144 9.517 1.00 0.00 H new TER 829 ARG B 32