USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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+ -125:sc= 0.11 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= 0.105 K(o=0.22,f=-2.9!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.602 K(o=1.4,f=-1.1) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.823 K(o=1.4,f=-0.62) USER MOD Set 3.1: A 1 GLY N :NH3+ -174:sc= 1.51 (180deg=0.562) USER MOD Set 3.2: A 5 GLN : amide:sc= 0.815 K(o=2.3,f=-2) USER MOD Single : A 8 THR OG1 : rot -56:sc= 1.3 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -146:sc= 0.0764 USER MOD Single : A 21 ASN : amide:sc= 0.0472 K(o=0.047,f=-2) USER MOD Single : B 4 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.71 K(o=0.71,f=-2.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.025) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.844 -3.746 3.680 1.00 0.00 N ATOM 2 CA GLY A 1 9.409 -5.111 3.305 1.00 0.00 C ATOM 3 C GLY A 1 10.383 -5.775 2.343 1.00 0.00 C ATOM 4 O GLY A 1 11.355 -5.154 1.917 1.00 0.00 O ATOM 0 H1 GLY A 1 9.210 -3.368 4.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.816 -3.780 4.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.812 -3.129 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.314 -5.721 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.421 -5.064 2.846 1.00 0.00 H new ATOM 10 N ILE A 2 10.120 -7.034 1.959 1.00 0.00 N ATOM 11 CA ILE A 2 11.012 -7.857 1.109 1.00 0.00 C ATOM 12 C ILE A 2 11.477 -7.133 -0.165 1.00 0.00 C ATOM 13 O ILE A 2 12.662 -7.176 -0.498 1.00 0.00 O ATOM 14 CB ILE A 2 10.332 -9.207 0.763 1.00 0.00 C ATOM 15 CG1 ILE A 2 11.316 -10.129 0.010 1.00 0.00 C ATOM 16 CG2 ILE A 2 9.009 -9.046 -0.010 1.00 0.00 C ATOM 17 CD1 ILE A 2 10.755 -11.503 -0.377 1.00 0.00 C ATOM 0 H ILE A 2 9.267 -7.523 2.233 1.00 0.00 H new ATOM 0 HA ILE A 2 11.913 -8.047 1.693 1.00 0.00 H new ATOM 0 HB ILE A 2 10.064 -9.675 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.645 -9.620 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.199 -10.277 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.588 -10.029 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.305 -8.470 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.197 -8.525 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.521 -12.075 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.453 -12.039 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.891 -11.373 -1.029 1.00 0.00 H new ATOM 29 N VAL A 3 10.571 -6.404 -0.824 1.00 0.00 N ATOM 30 CA VAL A 3 10.823 -5.654 -2.074 1.00 0.00 C ATOM 31 C VAL A 3 11.867 -4.545 -1.929 1.00 0.00 C ATOM 32 O VAL A 3 12.486 -4.150 -2.915 1.00 0.00 O ATOM 33 CB VAL A 3 9.525 -5.072 -2.660 1.00 0.00 C ATOM 34 CG1 VAL A 3 8.563 -6.188 -3.086 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.788 -4.125 -1.701 1.00 0.00 C ATOM 0 H VAL A 3 9.609 -6.312 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 3 11.233 -6.391 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 3 9.839 -4.489 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.654 -5.748 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.040 -6.810 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.311 -6.801 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.883 -3.753 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.521 -4.663 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.436 -3.286 -1.449 1.00 0.00 H new ATOM 45 N GLU A 4 12.099 -4.068 -0.705 1.00 0.00 N ATOM 46 CA GLU A 4 13.198 -3.165 -0.358 1.00 0.00 C ATOM 47 C GLU A 4 14.392 -3.960 0.166 1.00 0.00 C ATOM 48 O GLU A 4 15.508 -3.785 -0.322 1.00 0.00 O ATOM 49 CB GLU A 4 12.738 -2.165 0.717 1.00 0.00 C ATOM 50 CG GLU A 4 11.627 -1.222 0.246 1.00 0.00 C ATOM 51 CD GLU A 4 10.912 -0.582 1.450 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.163 -1.301 2.158 1.00 0.00 O ATOM 53 OE2 GLU A 4 11.095 0.637 1.698 1.00 0.00 O ATOM 0 H GLU A 4 11.512 -4.306 0.094 1.00 0.00 H new ATOM 0 HA GLU A 4 13.496 -2.622 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.388 -2.718 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.594 -1.572 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.049 -0.443 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.908 -1.773 -0.360 1.00 0.00 H new ATOM 60 N GLN A 5 14.180 -4.857 1.134 1.00 0.00 N ATOM 61 CA GLN A 5 15.265 -5.520 1.869 1.00 0.00 C ATOM 62 C GLN A 5 16.135 -6.435 0.991 1.00 0.00 C ATOM 63 O GLN A 5 17.337 -6.525 1.236 1.00 0.00 O ATOM 64 CB GLN A 5 14.687 -6.281 3.075 1.00 0.00 C ATOM 65 CG GLN A 5 14.627 -5.452 4.370 1.00 0.00 C ATOM 66 CD GLN A 5 13.701 -4.238 4.315 1.00 0.00 C ATOM 67 OE1 GLN A 5 12.515 -4.306 4.610 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.198 -3.072 3.966 1.00 0.00 N ATOM 0 H GLN A 5 13.248 -5.146 1.432 1.00 0.00 H new ATOM 0 HA GLN A 5 15.937 -4.738 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.682 -6.622 2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.291 -7.171 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.304 -6.100 5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.634 -5.112 4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.184 -2.992 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.598 -2.247 3.945 1.00 0.00 H new ATOM 77 N CYS A 6 15.572 -7.058 -0.051 1.00 0.00 N ATOM 78 CA CYS A 6 16.316 -7.922 -0.976 1.00 0.00 C ATOM 79 C CYS A 6 16.795 -7.215 -2.260 1.00 0.00 C ATOM 80 O CYS A 6 17.581 -7.804 -3.000 1.00 0.00 O ATOM 81 CB CYS A 6 15.486 -9.171 -1.304 1.00 0.00 C ATOM 82 SG CYS A 6 15.014 -10.216 0.100 1.00 0.00 S ATOM 0 H CYS A 6 14.581 -6.976 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 6 17.231 -8.212 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 6 14.577 -8.853 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.050 -9.781 -2.009 1.00 0.00 H new ATOM 87 N CYS A 7 16.347 -5.979 -2.526 1.00 0.00 N ATOM 88 CA CYS A 7 16.736 -5.205 -3.715 1.00 0.00 C ATOM 89 C CYS A 7 17.699 -4.050 -3.381 1.00 0.00 C ATOM 90 O CYS A 7 18.692 -3.853 -4.084 1.00 0.00 O ATOM 91 CB CYS A 7 15.470 -4.776 -4.480 1.00 0.00 C ATOM 92 SG CYS A 7 15.791 -3.979 -6.082 1.00 0.00 S ATOM 0 H CYS A 7 15.698 -5.483 -1.915 1.00 0.00 H new ATOM 0 HA CYS A 7 17.319 -5.840 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.845 -5.654 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 7 14.898 -4.090 -3.855 1.00 0.00 H new ATOM 97 N THR A 8 17.482 -3.336 -2.271 1.00 0.00 N ATOM 98 CA THR A 8 18.410 -2.309 -1.747 1.00 0.00 C ATOM 99 C THR A 8 19.592 -2.895 -0.955 1.00 0.00 C ATOM 100 O THR A 8 20.609 -2.217 -0.773 1.00 0.00 O ATOM 101 CB THR A 8 17.688 -1.264 -0.874 1.00 0.00 C ATOM 102 OG1 THR A 8 17.251 -1.814 0.350 1.00 0.00 O ATOM 103 CG2 THR A 8 16.477 -0.644 -1.574 1.00 0.00 C ATOM 0 H THR A 8 16.646 -3.452 -1.698 1.00 0.00 H new ATOM 0 HA THR A 8 18.811 -1.823 -2.637 1.00 0.00 H new ATOM 0 HB THR A 8 18.430 -0.487 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.675 -2.587 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.008 0.084 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.800 -0.148 -2.489 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.759 -1.426 -1.820 1.00 0.00 H new ATOM 111 N SER A 9 19.488 -4.152 -0.516 1.00 0.00 N ATOM 112 CA SER A 9 20.524 -4.906 0.205 1.00 0.00 C ATOM 113 C SER A 9 20.478 -6.404 -0.151 1.00 0.00 C ATOM 114 O SER A 9 19.662 -6.831 -0.973 1.00 0.00 O ATOM 115 CB SER A 9 20.357 -4.686 1.714 1.00 0.00 C ATOM 116 OG SER A 9 21.537 -5.070 2.397 1.00 0.00 O ATOM 0 H SER A 9 18.640 -4.700 -0.659 1.00 0.00 H new ATOM 0 HA SER A 9 21.504 -4.539 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.137 -3.637 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.510 -5.265 2.082 1.00 0.00 H new ATOM 0 HG SER A 9 21.420 -4.924 3.359 1.00 0.00 H new ATOM 122 N ILE A 10 21.365 -7.210 0.441 1.00 0.00 N ATOM 123 CA ILE A 10 21.448 -8.659 0.202 1.00 0.00 C ATOM 124 C ILE A 10 20.343 -9.463 0.915 1.00 0.00 C ATOM 125 O ILE A 10 19.832 -9.070 1.965 1.00 0.00 O ATOM 126 CB ILE A 10 22.862 -9.220 0.501 1.00 0.00 C ATOM 127 CG1 ILE A 10 23.514 -8.819 1.849 1.00 0.00 C ATOM 128 CG2 ILE A 10 23.826 -8.796 -0.616 1.00 0.00 C ATOM 129 CD1 ILE A 10 22.783 -9.298 3.104 1.00 0.00 C ATOM 0 H ILE A 10 22.057 -6.872 1.110 1.00 0.00 H new ATOM 0 HA ILE A 10 21.267 -8.792 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 10 22.698 -10.296 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.531 -9.210 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.590 -7.732 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.821 -9.190 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.473 -9.189 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.870 -7.708 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.323 -8.963 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.774 -8.886 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.730 -10.387 3.101 1.00 0.00 H new ATOM 141 N CYS A 11 20.002 -10.625 0.352 1.00 0.00 N ATOM 142 CA CYS A 11 19.141 -11.645 0.951 1.00 0.00 C ATOM 143 C CYS A 11 19.709 -13.059 0.771 1.00 0.00 C ATOM 144 O CYS A 11 20.503 -13.328 -0.134 1.00 0.00 O ATOM 145 CB CYS A 11 17.724 -11.543 0.371 1.00 0.00 C ATOM 146 SG CYS A 11 16.694 -10.326 1.229 1.00 0.00 S ATOM 0 H CYS A 11 20.334 -10.891 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 11 19.099 -11.458 2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.788 -11.277 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.244 -12.520 0.425 1.00 0.00 H new ATOM 151 N SER A 12 19.290 -13.963 1.659 1.00 0.00 N ATOM 152 CA SER A 12 19.670 -15.379 1.712 1.00 0.00 C ATOM 153 C SER A 12 18.518 -16.209 2.301 1.00 0.00 C ATOM 154 O SER A 12 17.553 -15.639 2.821 1.00 0.00 O ATOM 155 CB SER A 12 20.942 -15.523 2.547 1.00 0.00 C ATOM 156 OG SER A 12 21.423 -16.852 2.505 1.00 0.00 O ATOM 0 H SER A 12 18.639 -13.714 2.404 1.00 0.00 H new ATOM 0 HA SER A 12 19.868 -15.751 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.707 -14.843 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.739 -15.237 3.579 1.00 0.00 H new ATOM 0 HG SER A 12 22.238 -16.922 3.044 1.00 0.00 H new ATOM 162 N LEU A 13 18.602 -17.542 2.248 1.00 0.00 N ATOM 163 CA LEU A 13 17.549 -18.484 2.665 1.00 0.00 C ATOM 164 C LEU A 13 17.017 -18.183 4.080 1.00 0.00 C ATOM 165 O LEU A 13 15.807 -18.188 4.299 1.00 0.00 O ATOM 166 CB LEU A 13 18.093 -19.925 2.607 1.00 0.00 C ATOM 167 CG LEU A 13 18.246 -20.543 1.201 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.316 -19.871 0.336 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.636 -22.016 1.342 1.00 0.00 C ATOM 0 H LEU A 13 19.436 -18.016 1.901 1.00 0.00 H new ATOM 0 HA LEU A 13 16.714 -18.368 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 13 19.067 -19.943 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.431 -20.564 3.191 1.00 0.00 H new ATOM 0 HG LEU A 13 17.284 -20.404 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.361 -20.364 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.065 -18.819 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.285 -19.951 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.746 -22.460 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.580 -22.092 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.860 -22.547 1.893 1.00 0.00 H new ATOM 181 N TYR A 14 17.904 -17.826 5.012 1.00 0.00 N ATOM 182 CA TYR A 14 17.556 -17.501 6.400 1.00 0.00 C ATOM 183 C TYR A 14 16.689 -16.236 6.543 1.00 0.00 C ATOM 184 O TYR A 14 15.887 -16.141 7.472 1.00 0.00 O ATOM 185 CB TYR A 14 18.851 -17.362 7.214 1.00 0.00 C ATOM 186 CG TYR A 14 19.779 -18.562 7.111 1.00 0.00 C ATOM 187 CD1 TYR A 14 19.430 -19.774 7.738 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.976 -18.475 6.372 1.00 0.00 C ATOM 189 CE1 TYR A 14 20.271 -20.901 7.623 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.818 -19.599 6.256 1.00 0.00 C ATOM 191 CZ TYR A 14 21.468 -20.817 6.878 1.00 0.00 C ATOM 192 OH TYR A 14 22.289 -21.896 6.764 1.00 0.00 O ATOM 0 H TYR A 14 18.903 -17.753 4.821 1.00 0.00 H new ATOM 0 HA TYR A 14 16.944 -18.318 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.385 -16.473 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.594 -17.203 8.261 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.516 -19.841 8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 14 21.248 -17.546 5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.999 -21.829 8.105 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.735 -19.528 5.689 1.00 0.00 H new ATOM 0 HH TYR A 14 23.066 -21.659 6.216 1.00 0.00 H new ATOM 202 N GLN A 15 16.808 -15.283 5.612 1.00 0.00 N ATOM 203 CA GLN A 15 15.958 -14.084 5.539 1.00 0.00 C ATOM 204 C GLN A 15 14.724 -14.301 4.653 1.00 0.00 C ATOM 205 O GLN A 15 13.668 -13.749 4.938 1.00 0.00 O ATOM 206 CB GLN A 15 16.778 -12.873 5.066 1.00 0.00 C ATOM 207 CG GLN A 15 17.774 -12.363 6.124 1.00 0.00 C ATOM 208 CD GLN A 15 17.133 -11.770 7.387 1.00 0.00 C ATOM 209 OE1 GLN A 15 15.924 -11.625 7.530 1.00 0.00 O ATOM 210 NE2 GLN A 15 17.928 -11.394 8.365 1.00 0.00 N ATOM 0 H GLN A 15 17.510 -15.322 4.873 1.00 0.00 H new ATOM 0 HA GLN A 15 15.589 -13.881 6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 15 17.325 -13.143 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 15 16.098 -12.065 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.423 -13.188 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.409 -11.604 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.938 -11.503 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.535 -10.993 9.216 1.00 0.00 H new ATOM 219 N LEU A 16 14.802 -15.160 3.636 1.00 0.00 N ATOM 220 CA LEU A 16 13.642 -15.568 2.839 1.00 0.00 C ATOM 221 C LEU A 16 12.627 -16.353 3.697 1.00 0.00 C ATOM 222 O LEU A 16 11.419 -16.125 3.613 1.00 0.00 O ATOM 223 CB LEU A 16 14.157 -16.357 1.621 1.00 0.00 C ATOM 224 CG LEU A 16 14.941 -15.487 0.613 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.655 -16.380 -0.399 1.00 0.00 C ATOM 226 CD2 LEU A 16 14.040 -14.528 -0.170 1.00 0.00 C ATOM 0 H LEU A 16 15.676 -15.595 3.340 1.00 0.00 H new ATOM 0 HA LEU A 16 13.093 -14.698 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.799 -17.167 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.311 -16.817 1.111 1.00 0.00 H new ATOM 0 HG LEU A 16 15.648 -14.900 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.206 -15.760 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.349 -17.039 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.921 -16.980 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.646 -13.943 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.300 -15.100 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.532 -13.858 0.524 1.00 0.00 H new ATOM 238 N GLU A 17 13.099 -17.189 4.625 1.00 0.00 N ATOM 239 CA GLU A 17 12.248 -17.837 5.635 1.00 0.00 C ATOM 240 C GLU A 17 11.631 -16.836 6.635 1.00 0.00 C ATOM 241 O GLU A 17 10.548 -17.088 7.158 1.00 0.00 O ATOM 242 CB GLU A 17 13.037 -18.923 6.381 1.00 0.00 C ATOM 243 CG GLU A 17 13.277 -20.170 5.515 1.00 0.00 C ATOM 244 CD GLU A 17 13.977 -21.282 6.323 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.279 -22.085 6.991 1.00 0.00 O ATOM 246 OE2 GLU A 17 15.227 -21.366 6.294 1.00 0.00 O ATOM 0 H GLU A 17 14.085 -17.439 4.700 1.00 0.00 H new ATOM 0 HA GLU A 17 11.417 -18.295 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.996 -18.516 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.494 -19.208 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.326 -20.539 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.887 -19.905 4.652 1.00 0.00 H new ATOM 253 N ASN A 18 12.258 -15.676 6.863 1.00 0.00 N ATOM 254 CA ASN A 18 11.776 -14.649 7.796 1.00 0.00 C ATOM 255 C ASN A 18 10.460 -13.999 7.321 1.00 0.00 C ATOM 256 O ASN A 18 9.574 -13.731 8.132 1.00 0.00 O ATOM 257 CB ASN A 18 12.899 -13.607 7.986 1.00 0.00 C ATOM 258 CG ASN A 18 12.776 -12.729 9.222 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.893 -12.863 10.059 1.00 0.00 O ATOM 260 ND2 ASN A 18 13.689 -11.798 9.383 1.00 0.00 N ATOM 0 H ASN A 18 13.129 -15.420 6.397 1.00 0.00 H new ATOM 0 HA ASN A 18 11.539 -15.113 8.754 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.854 -14.131 8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.927 -12.964 7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.660 -11.191 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.427 -11.682 8.689 1.00 0.00 H new ATOM 267 N TYR A 19 10.286 -13.813 6.003 1.00 0.00 N ATOM 268 CA TYR A 19 9.021 -13.310 5.430 1.00 0.00 C ATOM 269 C TYR A 19 7.943 -14.409 5.354 1.00 0.00 C ATOM 270 O TYR A 19 6.747 -14.128 5.448 1.00 0.00 O ATOM 271 CB TYR A 19 9.244 -12.721 4.028 1.00 0.00 C ATOM 272 CG TYR A 19 10.470 -11.845 3.866 1.00 0.00 C ATOM 273 CD1 TYR A 19 10.547 -10.600 4.520 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.532 -12.282 3.051 1.00 0.00 C ATOM 275 CE1 TYR A 19 11.691 -9.794 4.366 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.697 -11.502 2.929 1.00 0.00 C ATOM 277 CZ TYR A 19 12.777 -10.253 3.590 1.00 0.00 C ATOM 278 OH TYR A 19 13.886 -9.479 3.467 1.00 0.00 O ATOM 0 H TYR A 19 11.008 -14.004 5.308 1.00 0.00 H new ATOM 0 HA TYR A 19 8.668 -12.526 6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.312 -13.544 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.365 -12.136 3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.729 -10.264 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.452 -13.218 2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.738 -8.825 4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.526 -11.855 2.334 1.00 0.00 H new ATOM 0 HH TYR A 19 14.276 -9.606 2.577 1.00 0.00 H new ATOM 288 N CYS A 20 8.375 -15.662 5.181 1.00 0.00 N ATOM 289 CA CYS A 20 7.515 -16.843 5.076 1.00 0.00 C ATOM 290 C CYS A 20 6.910 -17.287 6.428 1.00 0.00 C ATOM 291 O CYS A 20 5.790 -17.805 6.466 1.00 0.00 O ATOM 292 CB CYS A 20 8.371 -17.948 4.442 1.00 0.00 C ATOM 293 SG CYS A 20 7.617 -19.588 4.378 1.00 0.00 S ATOM 0 H CYS A 20 9.367 -15.889 5.108 1.00 0.00 H new ATOM 0 HA CYS A 20 6.645 -16.611 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.626 -17.646 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.306 -18.020 4.997 1.00 0.00 H new ATOM 298 N ASN A 21 7.628 -17.089 7.538 1.00 0.00 N ATOM 299 CA ASN A 21 7.169 -17.407 8.896 1.00 0.00 C ATOM 300 C ASN A 21 6.016 -16.482 9.361 1.00 0.00 C ATOM 301 O ASN A 21 5.928 -15.322 8.943 1.00 0.00 O ATOM 302 CB ASN A 21 8.389 -17.352 9.838 1.00 0.00 C ATOM 303 CG ASN A 21 8.130 -17.947 11.216 1.00 0.00 C ATOM 304 OD1 ASN A 21 7.191 -18.701 11.448 1.00 0.00 O ATOM 305 ND2 ASN A 21 8.965 -17.648 12.181 1.00 0.00 N ATOM 0 H ASN A 21 8.568 -16.693 7.518 1.00 0.00 H new ATOM 0 HA ASN A 21 6.744 -18.411 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.219 -17.884 9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.700 -16.314 9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.830 -18.041 13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.750 -17.022 12.001 1.00 0.00 H new ATOM 312 N GLY A 22 5.139 -16.987 10.240 1.00 0.00 N ATOM 313 CA GLY A 22 3.974 -16.268 10.781 1.00 0.00 C ATOM 314 C GLY A 22 3.151 -17.111 11.755 1.00 0.00 C ATOM 315 O GLY A 22 2.383 -17.980 11.284 1.00 0.00 O ATOM 316 OXT GLY A 22 3.275 -16.895 12.982 1.00 0.00 O ATOM 0 H GLY A 22 5.222 -17.935 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.315 -15.365 11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.336 -15.949 9.957 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 29.205 -16.408 0.206 1.00 0.00 N ATOM 322 CA PHE B 1 28.011 -17.285 0.283 1.00 0.00 C ATOM 323 C PHE B 1 26.939 -16.796 -0.709 1.00 0.00 C ATOM 324 O PHE B 1 27.234 -15.961 -1.567 1.00 0.00 O ATOM 325 CB PHE B 1 27.525 -17.383 1.748 1.00 0.00 C ATOM 326 CG PHE B 1 26.481 -18.452 2.038 1.00 0.00 C ATOM 327 CD1 PHE B 1 26.710 -19.793 1.672 1.00 0.00 C ATOM 328 CD2 PHE B 1 25.276 -18.106 2.683 1.00 0.00 C ATOM 329 CE1 PHE B 1 25.742 -20.776 1.937 1.00 0.00 C ATOM 330 CE2 PHE B 1 24.313 -19.090 2.956 1.00 0.00 C ATOM 331 CZ PHE B 1 24.542 -20.426 2.581 1.00 0.00 C ATOM 0 H1 PHE B 1 30.048 -16.986 0.014 1.00 0.00 H new ATOM 0 H2 PHE B 1 29.078 -15.715 -0.559 1.00 0.00 H new ATOM 0 H3 PHE B 1 29.327 -15.907 1.109 1.00 0.00 H new ATOM 0 HA PHE B 1 28.258 -18.303 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE B 1 28.390 -17.567 2.385 1.00 0.00 H new ATOM 0 HB3 PHE B 1 27.115 -16.416 2.039 1.00 0.00 H new ATOM 0 HD1 PHE B 1 27.634 -20.067 1.185 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.093 -17.080 2.968 1.00 0.00 H new ATOM 0 HE1 PHE B 1 25.920 -21.801 1.646 1.00 0.00 H new ATOM 0 HE2 PHE B 1 23.394 -18.821 3.455 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.798 -21.181 2.787 1.00 0.00 H new ATOM 343 N VAL B 2 25.699 -17.304 -0.649 1.00 0.00 N ATOM 344 CA VAL B 2 24.598 -16.958 -1.585 1.00 0.00 C ATOM 345 C VAL B 2 23.886 -15.628 -1.293 1.00 0.00 C ATOM 346 O VAL B 2 22.887 -15.307 -1.939 1.00 0.00 O ATOM 347 CB VAL B 2 23.571 -18.094 -1.714 1.00 0.00 C ATOM 348 CG1 VAL B 2 24.209 -19.379 -2.253 1.00 0.00 C ATOM 349 CG2 VAL B 2 22.850 -18.424 -0.405 1.00 0.00 C ATOM 0 H VAL B 2 25.419 -17.980 0.062 1.00 0.00 H new ATOM 0 HA VAL B 2 25.105 -16.820 -2.540 1.00 0.00 H new ATOM 0 HB VAL B 2 22.833 -17.715 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL B 2 23.450 -20.158 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL B 2 24.634 -19.189 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL B 2 24.997 -19.706 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL B 2 22.141 -19.235 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL B 2 23.579 -18.730 0.345 1.00 0.00 H new ATOM 0 HG23 VAL B 2 22.315 -17.542 -0.052 1.00 0.00 H new ATOM 359 N ASN B 3 24.396 -14.850 -0.338 1.00 0.00 N ATOM 360 CA ASN B 3 23.925 -13.515 0.037 1.00 0.00 C ATOM 361 C ASN B 3 24.017 -12.540 -1.154 1.00 0.00 C ATOM 362 O ASN B 3 25.087 -12.011 -1.463 1.00 0.00 O ATOM 363 CB ASN B 3 24.687 -13.044 1.298 1.00 0.00 C ATOM 364 CG ASN B 3 26.207 -13.006 1.153 1.00 0.00 C ATOM 365 OD1 ASN B 3 26.868 -14.021 0.975 1.00 0.00 O ATOM 366 ND2 ASN B 3 26.825 -11.851 1.263 1.00 0.00 N ATOM 0 H ASN B 3 25.192 -15.150 0.226 1.00 0.00 H new ATOM 0 HA ASN B 3 22.866 -13.546 0.295 1.00 0.00 H new ATOM 0 HB2 ASN B 3 24.337 -12.047 1.565 1.00 0.00 H new ATOM 0 HB3 ASN B 3 24.432 -13.704 2.127 1.00 0.00 H new ATOM 0 HD21 ASN B 3 27.842 -11.809 1.200 1.00 0.00 H new ATOM 0 HD22 ASN B 3 26.287 -10.997 1.411 1.00 0.00 H new ATOM 373 N GLN B 4 22.887 -12.325 -1.832 1.00 0.00 N ATOM 374 CA GLN B 4 22.804 -11.611 -3.112 1.00 0.00 C ATOM 375 C GLN B 4 21.627 -10.620 -3.191 1.00 0.00 C ATOM 376 O GLN B 4 20.646 -10.752 -2.457 1.00 0.00 O ATOM 377 CB GLN B 4 22.747 -12.646 -4.250 1.00 0.00 C ATOM 378 CG GLN B 4 21.404 -13.393 -4.331 1.00 0.00 C ATOM 379 CD GLN B 4 21.503 -14.650 -5.192 1.00 0.00 C ATOM 380 OE1 GLN B 4 21.177 -14.667 -6.372 1.00 0.00 O ATOM 381 NE2 GLN B 4 21.973 -15.746 -4.636 1.00 0.00 N ATOM 0 H GLN B 4 21.980 -12.651 -1.499 1.00 0.00 H new ATOM 0 HA GLN B 4 23.697 -10.993 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN B 4 22.932 -12.142 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN B 4 23.550 -13.371 -4.112 1.00 0.00 H new ATOM 0 HG2 GLN B 4 21.079 -13.665 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN B 4 20.644 -12.730 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN B 4 22.247 -15.742 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN B 4 22.063 -16.599 -5.187 1.00 0.00 H new ATOM 390 N HIS B 5 21.710 -9.644 -4.099 1.00 0.00 N ATOM 391 CA HIS B 5 20.583 -8.770 -4.455 1.00 0.00 C ATOM 392 C HIS B 5 19.674 -9.463 -5.485 1.00 0.00 C ATOM 393 O HIS B 5 20.143 -10.166 -6.384 1.00 0.00 O ATOM 394 CB HIS B 5 21.063 -7.422 -5.020 1.00 0.00 C ATOM 395 CG HIS B 5 21.669 -6.479 -4.015 1.00 0.00 C ATOM 396 ND1 HIS B 5 21.235 -5.203 -3.726 1.00 0.00 N ATOM 397 CD2 HIS B 5 22.809 -6.684 -3.291 1.00 0.00 C ATOM 398 CE1 HIS B 5 22.102 -4.650 -2.862 1.00 0.00 C ATOM 399 NE2 HIS B 5 23.077 -5.524 -2.553 1.00 0.00 N ATOM 0 H HIS B 5 22.566 -9.435 -4.613 1.00 0.00 H new ATOM 0 HA HIS B 5 20.022 -8.576 -3.541 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.799 -7.616 -5.801 1.00 0.00 H new ATOM 0 HB3 HIS B 5 20.217 -6.925 -5.495 1.00 0.00 H new ATOM 0 HD1 HIS B 5 20.399 -4.756 -4.103 1.00 0.00 H new ATOM 0 HD2 HIS B 5 23.402 -7.586 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS B 5 22.027 -3.646 -2.471 1.00 0.00 H new ATOM 407 N LEU B 6 18.370 -9.208 -5.380 1.00 0.00 N ATOM 408 CA LEU B 6 17.309 -9.616 -6.307 1.00 0.00 C ATOM 409 C LEU B 6 16.290 -8.474 -6.451 1.00 0.00 C ATOM 410 O LEU B 6 16.117 -7.686 -5.531 1.00 0.00 O ATOM 411 CB LEU B 6 16.599 -10.876 -5.775 1.00 0.00 C ATOM 412 CG LEU B 6 17.467 -12.142 -5.694 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.702 -13.229 -4.941 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.833 -12.689 -7.077 1.00 0.00 C ATOM 0 H LEU B 6 18.000 -8.675 -4.593 1.00 0.00 H new ATOM 0 HA LEU B 6 17.749 -9.840 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.210 -10.659 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.741 -11.085 -6.414 1.00 0.00 H new ATOM 0 HG LEU B 6 18.388 -11.869 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.314 -14.129 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.470 -12.880 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.776 -13.454 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.446 -13.583 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.923 -12.940 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.391 -11.934 -7.631 1.00 0.00 H new ATOM 426 N CYS B 7 15.577 -8.389 -7.571 1.00 0.00 N ATOM 427 CA CYS B 7 14.481 -7.427 -7.743 1.00 0.00 C ATOM 428 C CYS B 7 13.411 -7.973 -8.708 1.00 0.00 C ATOM 429 O CYS B 7 13.598 -9.031 -9.321 1.00 0.00 O ATOM 430 CB CYS B 7 15.061 -6.072 -8.190 1.00 0.00 C ATOM 431 SG CYS B 7 14.327 -4.626 -7.362 1.00 0.00 S ATOM 0 H CYS B 7 15.738 -8.981 -8.386 1.00 0.00 H new ATOM 0 HA CYS B 7 13.971 -7.273 -6.792 1.00 0.00 H new ATOM 0 HB2 CYS B 7 16.136 -6.073 -8.007 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.921 -5.968 -9.266 1.00 0.00 H new ATOM 436 N GLY B 8 12.278 -7.275 -8.837 1.00 0.00 N ATOM 437 CA GLY B 8 11.156 -7.703 -9.682 1.00 0.00 C ATOM 438 C GLY B 8 10.580 -9.059 -9.257 1.00 0.00 C ATOM 439 O GLY B 8 10.431 -9.335 -8.064 1.00 0.00 O ATOM 0 H GLY B 8 12.112 -6.391 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY B 8 10.369 -6.950 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY B 8 11.489 -7.763 -10.718 1.00 0.00 H new ATOM 443 N SER B 9 10.284 -9.938 -10.218 1.00 0.00 N ATOM 444 CA SER B 9 9.787 -11.294 -9.945 1.00 0.00 C ATOM 445 C SER B 9 10.862 -12.263 -9.436 1.00 0.00 C ATOM 446 O SER B 9 10.511 -13.220 -8.747 1.00 0.00 O ATOM 447 CB SER B 9 9.101 -11.871 -11.187 1.00 0.00 C ATOM 448 OG SER B 9 9.996 -11.883 -12.290 1.00 0.00 O ATOM 0 H SER B 9 10.382 -9.731 -11.212 1.00 0.00 H new ATOM 0 HA SER B 9 9.066 -11.189 -9.134 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.755 -12.884 -10.981 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.220 -11.277 -11.432 1.00 0.00 H new ATOM 0 HG SER B 9 9.543 -12.256 -13.075 1.00 0.00 H new ATOM 454 N HIS B 10 12.159 -12.021 -9.668 1.00 0.00 N ATOM 455 CA HIS B 10 13.244 -12.879 -9.154 1.00 0.00 C ATOM 456 C HIS B 10 13.312 -12.866 -7.616 1.00 0.00 C ATOM 457 O HIS B 10 13.604 -13.878 -6.978 1.00 0.00 O ATOM 458 CB HIS B 10 14.593 -12.433 -9.738 1.00 0.00 C ATOM 459 CG HIS B 10 14.608 -12.271 -11.237 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.313 -13.237 -12.175 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.924 -11.127 -11.918 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.433 -12.681 -13.394 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.808 -11.391 -13.291 1.00 0.00 N ATOM 0 H HIS B 10 12.489 -11.227 -10.216 1.00 0.00 H new ATOM 0 HA HIS B 10 13.027 -13.900 -9.468 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.876 -11.485 -9.281 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.354 -13.161 -9.457 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.212 -10.185 -11.476 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.254 -13.197 -14.326 1.00 0.00 H new ATOM 0 HE2 HIS B 10 14.974 -10.738 -14.057 1.00 0.00 H new ATOM 471 N LEU B 11 12.976 -11.721 -7.019 1.00 0.00 N ATOM 472 CA LEU B 11 12.853 -11.506 -5.575 1.00 0.00 C ATOM 473 C LEU B 11 11.693 -12.313 -4.960 1.00 0.00 C ATOM 474 O LEU B 11 11.815 -12.809 -3.839 1.00 0.00 O ATOM 475 CB LEU B 11 12.749 -9.982 -5.403 1.00 0.00 C ATOM 476 CG LEU B 11 12.468 -9.438 -3.993 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.056 -8.031 -3.900 1.00 0.00 C ATOM 478 CD2 LEU B 11 10.962 -9.325 -3.717 1.00 0.00 C ATOM 0 H LEU B 11 12.772 -10.877 -7.555 1.00 0.00 H new ATOM 0 HA LEU B 11 13.713 -11.881 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.683 -9.541 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.960 -9.623 -6.064 1.00 0.00 H new ATOM 0 HG LEU B 11 12.910 -10.123 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU B 11 12.869 -7.623 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU B 11 14.130 -8.073 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU B 11 12.589 -7.391 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU B 11 10.805 -8.937 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU B 11 10.509 -8.648 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU B 11 10.502 -10.309 -3.802 1.00 0.00 H new ATOM 490 N VAL B 12 10.608 -12.518 -5.713 1.00 0.00 N ATOM 491 CA VAL B 12 9.501 -13.429 -5.348 1.00 0.00 C ATOM 492 C VAL B 12 9.875 -14.889 -5.624 1.00 0.00 C ATOM 493 O VAL B 12 9.530 -15.770 -4.844 1.00 0.00 O ATOM 494 CB VAL B 12 8.199 -13.050 -6.090 1.00 0.00 C ATOM 495 CG1 VAL B 12 7.003 -13.875 -5.592 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.839 -11.570 -5.887 1.00 0.00 C ATOM 0 H VAL B 12 10.465 -12.052 -6.609 1.00 0.00 H new ATOM 0 HA VAL B 12 9.324 -13.321 -4.278 1.00 0.00 H new ATOM 0 HB VAL B 12 8.391 -13.253 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.106 -13.581 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.197 -14.935 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.856 -13.696 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.918 -11.343 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.698 -11.372 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.645 -10.944 -6.268 1.00 0.00 H new ATOM 506 N GLU B 13 10.618 -15.162 -6.696 1.00 0.00 N ATOM 507 CA GLU B 13 11.002 -16.515 -7.121 1.00 0.00 C ATOM 508 C GLU B 13 11.950 -17.205 -6.124 1.00 0.00 C ATOM 509 O GLU B 13 11.783 -18.393 -5.852 1.00 0.00 O ATOM 510 CB GLU B 13 11.609 -16.438 -8.529 1.00 0.00 C ATOM 511 CG GLU B 13 11.899 -17.812 -9.146 1.00 0.00 C ATOM 512 CD GLU B 13 12.327 -17.673 -10.621 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.402 -17.087 -10.896 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.595 -18.160 -11.520 1.00 0.00 O ATOM 0 H GLU B 13 10.980 -14.433 -7.311 1.00 0.00 H new ATOM 0 HA GLU B 13 10.108 -17.138 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.927 -15.892 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.535 -15.865 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.686 -18.311 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.011 -18.440 -9.078 1.00 0.00 H new ATOM 521 N ALA B 14 12.882 -16.475 -5.502 1.00 0.00 N ATOM 522 CA ALA B 14 13.714 -17.021 -4.425 1.00 0.00 C ATOM 523 C ALA B 14 12.879 -17.396 -3.184 1.00 0.00 C ATOM 524 O ALA B 14 13.085 -18.457 -2.596 1.00 0.00 O ATOM 525 CB ALA B 14 14.805 -16.009 -4.091 1.00 0.00 C ATOM 0 H ALA B 14 13.079 -15.500 -5.728 1.00 0.00 H new ATOM 0 HA ALA B 14 14.175 -17.949 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.433 -16.401 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.416 -15.827 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.347 -15.074 -3.768 1.00 0.00 H new ATOM 531 N LEU B 15 11.875 -16.580 -2.835 1.00 0.00 N ATOM 532 CA LEU B 15 10.879 -16.900 -1.806 1.00 0.00 C ATOM 533 C LEU B 15 10.051 -18.139 -2.211 1.00 0.00 C ATOM 534 O LEU B 15 9.802 -19.021 -1.390 1.00 0.00 O ATOM 535 CB LEU B 15 9.996 -15.650 -1.569 1.00 0.00 C ATOM 536 CG LEU B 15 9.488 -15.426 -0.133 1.00 0.00 C ATOM 537 CD1 LEU B 15 8.796 -16.647 0.476 1.00 0.00 C ATOM 538 CD2 LEU B 15 10.623 -15.053 0.797 1.00 0.00 C ATOM 0 H LEU B 15 11.731 -15.667 -3.266 1.00 0.00 H new ATOM 0 HA LEU B 15 11.373 -17.158 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.564 -14.770 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.132 -15.713 -2.230 1.00 0.00 H new ATOM 0 HG LEU B 15 8.762 -14.619 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.466 -16.411 1.488 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.933 -16.918 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU B 15 9.495 -17.483 0.508 1.00 0.00 H new ATOM 0 HD21 LEU B 15 10.234 -14.901 1.804 1.00 0.00 H new ATOM 0 HD22 LEU B 15 11.361 -15.855 0.811 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.093 -14.134 0.447 1.00 0.00 H new ATOM 550 N TYR B 16 9.709 -18.264 -3.495 1.00 0.00 N ATOM 551 CA TYR B 16 8.990 -19.412 -4.053 1.00 0.00 C ATOM 552 C TYR B 16 9.812 -20.712 -4.012 1.00 0.00 C ATOM 553 O TYR B 16 9.257 -21.784 -3.776 1.00 0.00 O ATOM 554 CB TYR B 16 8.521 -19.083 -5.481 1.00 0.00 C ATOM 555 CG TYR B 16 7.213 -19.748 -5.861 1.00 0.00 C ATOM 556 CD1 TYR B 16 7.177 -21.120 -6.180 1.00 0.00 C ATOM 557 CD2 TYR B 16 6.024 -18.992 -5.861 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.950 -21.745 -6.472 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.797 -19.614 -6.159 1.00 0.00 C ATOM 560 CZ TYR B 16 4.754 -20.993 -6.463 1.00 0.00 C ATOM 561 OH TYR B 16 3.561 -21.582 -6.749 1.00 0.00 O ATOM 0 H TYR B 16 9.929 -17.553 -4.192 1.00 0.00 H new ATOM 0 HA TYR B 16 8.119 -19.596 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.411 -18.003 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.293 -19.389 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.092 -21.693 -6.200 1.00 0.00 H new ATOM 0 HD2 TYR B 16 6.054 -17.937 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.923 -22.800 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.885 -19.035 -6.155 1.00 0.00 H new ATOM 0 HH TYR B 16 2.845 -20.915 -6.695 1.00 0.00 H new ATOM 571 N LEU B 17 11.136 -20.647 -4.154 1.00 0.00 N ATOM 572 CA LEU B 17 12.012 -21.813 -3.984 1.00 0.00 C ATOM 573 C LEU B 17 12.287 -22.149 -2.507 1.00 0.00 C ATOM 574 O LEU B 17 12.533 -23.313 -2.182 1.00 0.00 O ATOM 575 CB LEU B 17 13.318 -21.603 -4.785 1.00 0.00 C ATOM 576 CG LEU B 17 13.322 -22.154 -6.227 1.00 0.00 C ATOM 577 CD1 LEU B 17 13.268 -23.685 -6.249 1.00 0.00 C ATOM 578 CD2 LEU B 17 12.181 -21.633 -7.103 1.00 0.00 C ATOM 0 H LEU B 17 11.633 -19.788 -4.390 1.00 0.00 H new ATOM 0 HA LEU B 17 11.490 -22.683 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.529 -20.534 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 17 14.136 -22.069 -4.237 1.00 0.00 H new ATOM 0 HG LEU B 17 14.262 -21.792 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.272 -24.034 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU B 17 14.136 -24.087 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU B 17 12.357 -24.024 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.258 -22.069 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.225 -21.910 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU B 17 12.245 -20.547 -7.177 1.00 0.00 H new ATOM 590 N VAL B 18 12.202 -21.162 -1.607 1.00 0.00 N ATOM 591 CA VAL B 18 12.348 -21.348 -0.150 1.00 0.00 C ATOM 592 C VAL B 18 11.053 -21.861 0.513 1.00 0.00 C ATOM 593 O VAL B 18 11.125 -22.682 1.428 1.00 0.00 O ATOM 594 CB VAL B 18 12.908 -20.051 0.488 1.00 0.00 C ATOM 595 CG1 VAL B 18 12.785 -20.003 2.011 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.399 -19.938 0.145 1.00 0.00 C ATOM 0 H VAL B 18 12.027 -20.192 -1.871 1.00 0.00 H new ATOM 0 HA VAL B 18 13.074 -22.140 0.033 1.00 0.00 H new ATOM 0 HB VAL B 18 12.314 -19.231 0.083 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.199 -19.065 2.380 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.735 -20.072 2.294 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.334 -20.838 2.447 1.00 0.00 H new ATOM 0 HG21 VAL B 18 14.806 -19.029 0.588 1.00 0.00 H new ATOM 0 HG22 VAL B 18 14.930 -20.804 0.540 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.522 -19.901 -0.937 1.00 0.00 H new ATOM 606 N CYS B 19 9.875 -21.433 0.043 1.00 0.00 N ATOM 607 CA CYS B 19 8.572 -21.686 0.683 1.00 0.00 C ATOM 608 C CYS B 19 7.360 -21.898 -0.245 1.00 0.00 C ATOM 609 O CYS B 19 6.264 -22.184 0.244 1.00 0.00 O ATOM 610 CB CYS B 19 8.261 -20.501 1.600 1.00 0.00 C ATOM 611 SG CYS B 19 8.923 -20.676 3.273 1.00 0.00 S ATOM 0 H CYS B 19 9.796 -20.887 -0.815 1.00 0.00 H new ATOM 0 HA CYS B 19 8.696 -22.639 1.198 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.665 -19.593 1.153 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.180 -20.374 1.659 1.00 0.00 H new ATOM 616 N GLY B 20 7.501 -21.780 -1.564 1.00 0.00 N ATOM 617 CA GLY B 20 6.375 -21.883 -2.511 1.00 0.00 C ATOM 618 C GLY B 20 5.690 -23.257 -2.558 1.00 0.00 C ATOM 619 O GLY B 20 4.561 -23.365 -3.036 1.00 0.00 O ATOM 0 H GLY B 20 8.400 -21.610 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.630 -21.131 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.737 -21.640 -3.510 1.00 0.00 H new ATOM 623 N GLU B 21 6.330 -24.296 -2.011 1.00 0.00 N ATOM 624 CA GLU B 21 5.734 -25.636 -1.850 1.00 0.00 C ATOM 625 C GLU B 21 4.777 -25.710 -0.641 1.00 0.00 C ATOM 626 O GLU B 21 3.848 -26.521 -0.637 1.00 0.00 O ATOM 627 CB GLU B 21 6.843 -26.693 -1.735 1.00 0.00 C ATOM 628 CG GLU B 21 7.672 -26.812 -3.020 1.00 0.00 C ATOM 629 CD GLU B 21 8.668 -27.986 -2.927 1.00 0.00 C ATOM 630 OE1 GLU B 21 9.797 -27.791 -2.419 1.00 0.00 O ATOM 631 OE2 GLU B 21 8.334 -29.113 -3.369 1.00 0.00 O ATOM 0 H GLU B 21 7.287 -24.234 -1.662 1.00 0.00 H new ATOM 0 HA GLU B 21 5.135 -25.840 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.500 -26.437 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.397 -27.660 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU B 21 7.009 -26.959 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.214 -25.883 -3.195 1.00 0.00 H new ATOM 638 N ARG B 22 4.960 -24.839 0.366 1.00 0.00 N ATOM 639 CA ARG B 22 4.029 -24.622 1.488 1.00 0.00 C ATOM 640 C ARG B 22 2.937 -23.602 1.126 1.00 0.00 C ATOM 641 O ARG B 22 1.782 -23.763 1.521 1.00 0.00 O ATOM 642 CB ARG B 22 4.848 -24.134 2.700 1.00 0.00 C ATOM 643 CG ARG B 22 4.049 -24.181 4.011 1.00 0.00 C ATOM 644 CD ARG B 22 4.546 -23.158 5.040 1.00 0.00 C ATOM 645 NE ARG B 22 4.213 -21.781 4.628 1.00 0.00 N ATOM 646 CZ ARG B 22 4.480 -20.663 5.274 1.00 0.00 C ATOM 647 NH1 ARG B 22 5.061 -20.626 6.435 1.00 0.00 N ATOM 648 NH2 ARG B 22 4.158 -19.524 4.741 1.00 0.00 N ATOM 0 H ARG B 22 5.788 -24.246 0.424 1.00 0.00 H new ATOM 0 HA ARG B 22 3.521 -25.557 1.725 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.742 -24.750 2.801 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.183 -23.113 2.520 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.996 -23.995 3.798 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.116 -25.182 4.437 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.098 -23.368 6.011 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.625 -23.254 5.160 1.00 0.00 H new ATOM 0 HE ARG B 22 3.719 -21.683 3.741 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.337 -21.494 6.895 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.242 -19.729 6.887 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.702 -19.498 3.829 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.361 -18.655 5.234 1.00 0.00 H new ATOM 662 N GLY B 23 3.314 -22.568 0.373 1.00 0.00 N ATOM 663 CA GLY B 23 2.505 -21.380 0.080 1.00 0.00 C ATOM 664 C GLY B 23 2.786 -20.227 1.055 1.00 0.00 C ATOM 665 O GLY B 23 3.092 -20.443 2.234 1.00 0.00 O ATOM 0 H GLY B 23 4.232 -22.532 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.706 -21.048 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.448 -21.643 0.127 1.00 0.00 H new ATOM 669 N PHE B 24 2.728 -18.998 0.547 1.00 0.00 N ATOM 670 CA PHE B 24 3.064 -17.761 1.266 1.00 0.00 C ATOM 671 C PHE B 24 2.405 -16.528 0.614 1.00 0.00 C ATOM 672 O PHE B 24 1.923 -16.588 -0.522 1.00 0.00 O ATOM 673 CB PHE B 24 4.598 -17.580 1.292 1.00 0.00 C ATOM 674 CG PHE B 24 5.222 -17.259 -0.059 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.457 -18.290 -0.992 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.538 -15.928 -0.401 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.976 -17.988 -2.264 1.00 0.00 C ATOM 678 CE2 PHE B 24 6.083 -15.632 -1.663 1.00 0.00 C ATOM 679 CZ PHE B 24 6.300 -16.662 -2.595 1.00 0.00 C ATOM 0 H PHE B 24 2.435 -18.825 -0.414 1.00 0.00 H new ATOM 0 HA PHE B 24 2.681 -17.846 2.283 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.844 -16.780 1.990 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.052 -18.492 1.679 1.00 0.00 H new ATOM 0 HD1 PHE B 24 5.238 -19.314 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.361 -15.133 0.309 1.00 0.00 H new ATOM 0 HE1 PHE B 24 6.125 -18.776 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.335 -14.613 -1.916 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.716 -16.434 -3.565 1.00 0.00 H new ATOM 689 N PHE B 25 2.427 -15.397 1.325 1.00 0.00 N ATOM 690 CA PHE B 25 2.077 -14.069 0.807 1.00 0.00 C ATOM 691 C PHE B 25 2.984 -13.012 1.456 1.00 0.00 C ATOM 692 O PHE B 25 3.295 -13.118 2.647 1.00 0.00 O ATOM 693 CB PHE B 25 0.591 -13.780 1.040 1.00 0.00 C ATOM 694 CG PHE B 25 0.086 -12.584 0.259 1.00 0.00 C ATOM 695 CD1 PHE B 25 -0.114 -12.694 -1.131 1.00 0.00 C ATOM 696 CD2 PHE B 25 -0.162 -11.357 0.903 1.00 0.00 C ATOM 697 CE1 PHE B 25 -0.559 -11.586 -1.872 1.00 0.00 C ATOM 698 CE2 PHE B 25 -0.621 -10.256 0.162 1.00 0.00 C ATOM 699 CZ PHE B 25 -0.813 -10.367 -1.226 1.00 0.00 C ATOM 0 H PHE B 25 2.697 -15.379 2.308 1.00 0.00 H new ATOM 0 HA PHE B 25 2.241 -14.036 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.009 -14.659 0.763 1.00 0.00 H new ATOM 0 HB3 PHE B 25 0.423 -13.609 2.103 1.00 0.00 H new ATOM 0 HD1 PHE B 25 0.075 -13.633 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE B 25 0.001 -11.262 1.966 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.705 -11.673 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.827 -9.320 0.660 1.00 0.00 H new ATOM 0 HZ PHE B 25 -1.156 -9.515 -1.794 1.00 0.00 H new ATOM 709 N TYR B 26 3.424 -12.007 0.691 1.00 0.00 N ATOM 710 CA TYR B 26 4.496 -11.085 1.104 1.00 0.00 C ATOM 711 C TYR B 26 4.116 -9.598 1.237 1.00 0.00 C ATOM 712 O TYR B 26 4.929 -8.814 1.732 1.00 0.00 O ATOM 713 CB TYR B 26 5.690 -11.288 0.161 1.00 0.00 C ATOM 714 CG TYR B 26 5.456 -10.849 -1.275 1.00 0.00 C ATOM 715 CD1 TYR B 26 5.711 -9.515 -1.655 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.973 -11.770 -2.228 1.00 0.00 C ATOM 717 CE1 TYR B 26 5.483 -9.103 -2.983 1.00 0.00 C ATOM 718 CE2 TYR B 26 4.751 -11.363 -3.556 1.00 0.00 C ATOM 719 CZ TYR B 26 5.007 -10.028 -3.939 1.00 0.00 C ATOM 720 OH TYR B 26 4.775 -9.640 -5.225 1.00 0.00 O ATOM 0 H TYR B 26 3.048 -11.807 -0.236 1.00 0.00 H new ATOM 0 HA TYR B 26 4.746 -11.348 2.132 1.00 0.00 H new ATOM 0 HB2 TYR B 26 6.545 -10.740 0.558 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.960 -12.344 0.163 1.00 0.00 H new ATOM 0 HD1 TYR B 26 6.082 -8.808 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.773 -12.791 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR B 26 5.672 -8.079 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.384 -12.072 -4.283 1.00 0.00 H new ATOM 0 HH TYR B 26 4.452 -10.406 -5.744 1.00 0.00 H new ATOM 730 N THR B 27 2.907 -9.189 0.839 1.00 0.00 N ATOM 731 CA THR B 27 2.443 -7.789 0.969 1.00 0.00 C ATOM 732 C THR B 27 1.675 -7.590 2.292 1.00 0.00 C ATOM 733 O THR B 27 0.613 -8.195 2.463 1.00 0.00 O ATOM 734 CB THR B 27 1.611 -7.362 -0.254 1.00 0.00 C ATOM 735 OG1 THR B 27 2.418 -7.407 -1.412 1.00 0.00 O ATOM 736 CG2 THR B 27 1.079 -5.930 -0.145 1.00 0.00 C ATOM 0 H THR B 27 2.218 -9.812 0.417 1.00 0.00 H new ATOM 0 HA THR B 27 3.317 -7.139 0.999 1.00 0.00 H new ATOM 0 HB THR B 27 0.768 -8.052 -0.304 1.00 0.00 H new ATOM 0 HG1 THR B 27 1.888 -7.137 -2.191 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.501 -5.688 -1.037 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.442 -5.845 0.735 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.916 -5.237 -0.056 1.00 0.00 H new ATOM 744 N PRO B 28 2.153 -6.745 3.232 1.00 0.00 N ATOM 745 CA PRO B 28 1.579 -6.629 4.582 1.00 0.00 C ATOM 746 C PRO B 28 0.246 -5.858 4.640 1.00 0.00 C ATOM 747 O PRO B 28 -0.440 -5.898 5.664 1.00 0.00 O ATOM 748 CB PRO B 28 2.667 -5.940 5.417 1.00 0.00 C ATOM 749 CG PRO B 28 3.378 -5.061 4.394 1.00 0.00 C ATOM 750 CD PRO B 28 3.356 -5.930 3.138 1.00 0.00 C ATOM 0 HA PRO B 28 1.314 -7.615 4.962 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.240 -5.351 6.229 1.00 0.00 H new ATOM 0 HB3 PRO B 28 3.346 -6.662 5.870 1.00 0.00 H new ATOM 0 HG2 PRO B 28 2.859 -4.115 4.242 1.00 0.00 H new ATOM 0 HG3 PRO B 28 4.395 -4.820 4.703 1.00 0.00 H new ATOM 0 HD2 PRO B 28 3.340 -5.315 2.239 1.00 0.00 H new ATOM 0 HD3 PRO B 28 4.247 -6.555 3.081 1.00 0.00 H new ATOM 758 N LYS B 29 -0.139 -5.169 3.555 1.00 0.00 N ATOM 759 CA LYS B 29 -1.367 -4.357 3.436 1.00 0.00 C ATOM 760 C LYS B 29 -2.666 -5.186 3.356 1.00 0.00 C ATOM 761 O LYS B 29 -3.756 -4.629 3.481 1.00 0.00 O ATOM 762 CB LYS B 29 -1.180 -3.410 2.230 1.00 0.00 C ATOM 763 CG LYS B 29 -2.190 -2.252 2.177 1.00 0.00 C ATOM 764 CD LYS B 29 -1.844 -1.192 1.119 1.00 0.00 C ATOM 765 CE LYS B 29 -1.886 -1.760 -0.307 1.00 0.00 C ATOM 766 NZ LYS B 29 -1.613 -0.709 -1.323 1.00 0.00 N ATOM 0 H LYS B 29 0.417 -5.160 2.700 1.00 0.00 H new ATOM 0 HA LYS B 29 -1.502 -3.780 4.351 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -0.172 -2.997 2.259 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -1.260 -3.990 1.311 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -3.182 -2.653 1.969 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -2.238 -1.776 3.156 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -2.544 -0.361 1.198 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -0.850 -0.792 1.320 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -1.151 -2.559 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -2.864 -2.203 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -1.649 -1.128 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.329 0.041 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -0.669 -0.304 -1.159 1.00 0.00 H new ATOM 780 N THR B 30 -2.570 -6.501 3.137 1.00 0.00 N ATOM 781 CA THR B 30 -3.733 -7.409 3.039 1.00 0.00 C ATOM 782 C THR B 30 -4.555 -7.499 4.341 1.00 0.00 C ATOM 783 O THR B 30 -4.035 -7.299 5.445 1.00 0.00 O ATOM 784 CB THR B 30 -3.306 -8.798 2.533 1.00 0.00 C ATOM 785 OG1 THR B 30 -4.455 -9.535 2.168 1.00 0.00 O ATOM 786 CG2 THR B 30 -2.507 -9.621 3.547 1.00 0.00 C ATOM 0 H THR B 30 -1.675 -6.977 3.020 1.00 0.00 H new ATOM 0 HA THR B 30 -4.406 -6.970 2.302 1.00 0.00 H new ATOM 0 HB THR B 30 -2.647 -8.617 1.684 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.187 -10.420 1.843 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.247 -10.585 3.109 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.596 -9.085 3.813 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.109 -9.780 4.442 1.00 0.00 H new ATOM 794 N LYS B 31 -5.855 -7.794 4.203 1.00 0.00 N ATOM 795 CA LYS B 31 -6.851 -7.843 5.292 1.00 0.00 C ATOM 796 C LYS B 31 -7.983 -8.847 5.013 1.00 0.00 C ATOM 797 O LYS B 31 -8.133 -9.334 3.888 1.00 0.00 O ATOM 798 CB LYS B 31 -7.395 -6.421 5.555 1.00 0.00 C ATOM 799 CG LYS B 31 -8.159 -5.818 4.364 1.00 0.00 C ATOM 800 CD LYS B 31 -8.661 -4.408 4.690 1.00 0.00 C ATOM 801 CE LYS B 31 -9.394 -3.821 3.478 1.00 0.00 C ATOM 802 NZ LYS B 31 -9.871 -2.439 3.746 1.00 0.00 N ATOM 0 H LYS B 31 -6.262 -8.015 3.294 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.354 -8.205 6.192 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -8.056 -6.449 6.421 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.563 -5.765 5.810 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.508 -5.783 3.490 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -9.003 -6.458 4.107 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -9.330 -4.441 5.550 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.822 -3.768 4.963 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.727 -3.816 2.616 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -10.242 -4.456 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.362 -2.072 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -10.526 -2.448 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.059 -1.828 3.966 1.00 0.00 H new ATOM 816 N ARG B 32 -8.778 -9.148 6.051 1.00 0.00 N ATOM 817 CA ARG B 32 -9.965 -10.030 6.002 1.00 0.00 C ATOM 818 C ARG B 32 -11.015 -9.597 4.963 1.00 0.00 C ATOM 819 O ARG B 32 -11.294 -8.380 4.861 1.00 0.00 O ATOM 820 CB ARG B 32 -10.567 -10.210 7.418 1.00 0.00 C ATOM 821 CG ARG B 32 -11.523 -9.103 7.916 1.00 0.00 C ATOM 822 CD ARG B 32 -10.905 -7.698 8.003 1.00 0.00 C ATOM 823 NE ARG B 32 -11.915 -6.670 8.297 1.00 0.00 N ATOM 824 CZ ARG B 32 -12.701 -6.064 7.425 1.00 0.00 C ATOM 825 NH1 ARG B 32 -12.698 -6.345 6.152 1.00 0.00 N ATOM 826 NH2 ARG B 32 -13.527 -5.143 7.828 1.00 0.00 N ATOM 827 OXT ARG B 32 -11.573 -10.486 4.282 1.00 0.00 O ATOM 0 H ARG B 32 -8.610 -8.772 6.984 1.00 0.00 H new ATOM 0 HA ARG B 32 -9.621 -11.004 5.654 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -11.105 -11.158 7.440 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -9.745 -10.293 8.128 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -12.385 -9.063 7.251 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -11.894 -9.382 8.902 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -10.139 -7.686 8.778 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -10.409 -7.461 7.062 1.00 0.00 H new ATOM 0 HE ARG B 32 -12.019 -6.397 9.274 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -12.069 -7.061 5.789 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -13.325 -5.848 5.519 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -13.567 -4.890 8.815 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -14.135 -4.674 7.157 1.00 0.00 H new TER 841 ARG B 32