USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HE2:sc= 0.752 K(o=1.6,f=-3.3) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 171:sc= 0.896 (180deg=0) USER MOD Single : A 1 GLN :FLIP amide:sc= 0.753 F(o=0,f=0.75) USER MOD Single : A 1 GLN N :NH3+ 140:sc= 0.0567 (180deg=-0.458) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -90:sc= -0.658 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00838 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 98:sc= 0.0949 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 12.286 -18.696 -56.157 1.00 0.00 N ATOM 2 CA GLN A 1 11.906 -17.371 -56.742 1.00 0.00 C ATOM 3 C GLN A 1 12.540 -16.227 -55.942 1.00 0.00 C ATOM 4 O GLN A 1 13.165 -16.438 -54.920 1.00 0.00 O ATOM 5 CB GLN A 1 10.375 -17.301 -56.658 1.00 0.00 C ATOM 6 CG GLN A 1 9.913 -17.453 -55.203 1.00 0.00 C ATOM 7 CD GLN A 1 8.633 -16.644 -54.986 1.00 0.00 C ATOM 8 OE1 GLN A 1 7.475 -17.237 -55.079 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 8.687 -15.457 -54.731 1.00 0.00 N flip ATOM 0 H1 GLN A 1 11.464 -19.333 -56.176 1.00 0.00 H new ATOM 0 H2 GLN A 1 13.059 -19.112 -56.714 1.00 0.00 H new ATOM 0 H3 GLN A 1 12.599 -18.565 -55.174 1.00 0.00 H new ATOM 0 HA GLN A 1 12.257 -17.272 -57.769 1.00 0.00 H new ATOM 0 HB2 GLN A 1 10.025 -16.350 -57.060 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.934 -18.088 -57.271 1.00 0.00 H new ATOM 0 HG2 GLN A 1 9.735 -18.504 -54.975 1.00 0.00 H new ATOM 0 HG3 GLN A 1 10.693 -17.108 -54.525 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.592 -14.992 -54.658 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.828 -14.926 -54.590 1.00 0.00 H new ATOM 20 N VAL A 2 12.377 -15.015 -56.408 1.00 0.00 N ATOM 21 CA VAL A 2 12.965 -13.842 -55.684 1.00 0.00 C ATOM 22 C VAL A 2 12.142 -13.523 -54.428 1.00 0.00 C ATOM 23 O VAL A 2 10.930 -13.631 -54.425 1.00 0.00 O ATOM 24 CB VAL A 2 12.925 -12.664 -56.675 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.798 -12.985 -57.892 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.486 -12.402 -57.140 1.00 0.00 C ATOM 0 H VAL A 2 11.863 -14.785 -57.258 1.00 0.00 H new ATOM 0 HA VAL A 2 13.984 -14.045 -55.355 1.00 0.00 H new ATOM 0 HB VAL A 2 13.303 -11.774 -56.172 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.768 -12.150 -58.592 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.826 -13.151 -57.569 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.422 -13.883 -58.383 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.476 -11.566 -57.840 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.095 -13.292 -57.632 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.863 -12.161 -56.278 1.00 0.00 H new ATOM 36 N TYR A 3 12.794 -13.131 -53.362 1.00 0.00 N ATOM 37 CA TYR A 3 12.059 -12.804 -52.105 1.00 0.00 C ATOM 38 C TYR A 3 12.085 -11.290 -51.859 1.00 0.00 C ATOM 39 O TYR A 3 12.884 -10.786 -51.090 1.00 0.00 O ATOM 40 CB TYR A 3 12.804 -13.555 -50.995 1.00 0.00 C ATOM 41 CG TYR A 3 11.810 -14.072 -49.983 1.00 0.00 C ATOM 42 CD1 TYR A 3 11.443 -13.275 -48.892 1.00 0.00 C ATOM 43 CD2 TYR A 3 11.254 -15.347 -50.137 1.00 0.00 C ATOM 44 CE1 TYR A 3 10.519 -13.754 -47.956 1.00 0.00 C ATOM 45 CE2 TYR A 3 10.331 -15.826 -49.202 1.00 0.00 C ATOM 46 CZ TYR A 3 9.963 -15.029 -48.110 1.00 0.00 C ATOM 47 OH TYR A 3 9.053 -15.502 -47.188 1.00 0.00 O ATOM 0 H TYR A 3 13.807 -13.024 -53.310 1.00 0.00 H new ATOM 0 HA TYR A 3 11.010 -13.097 -52.149 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.372 -14.383 -51.419 1.00 0.00 H new ATOM 0 HB3 TYR A 3 13.521 -12.892 -50.511 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.873 -12.291 -48.773 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.538 -15.961 -50.979 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.235 -13.139 -47.115 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.902 -16.810 -49.322 1.00 0.00 H new ATOM 0 HH TYR A 3 8.765 -16.403 -47.445 1.00 0.00 H new ATOM 57 N LYS A 4 11.218 -10.561 -52.516 1.00 0.00 N ATOM 58 CA LYS A 4 11.182 -9.077 -52.337 1.00 0.00 C ATOM 59 C LYS A 4 9.754 -8.547 -52.519 1.00 0.00 C ATOM 60 O LYS A 4 8.890 -9.226 -53.044 1.00 0.00 O ATOM 61 CB LYS A 4 12.121 -8.488 -53.411 1.00 0.00 C ATOM 62 CG LYS A 4 12.214 -9.401 -54.648 1.00 0.00 C ATOM 63 CD LYS A 4 10.936 -9.287 -55.487 1.00 0.00 C ATOM 64 CE LYS A 4 10.879 -7.912 -56.158 1.00 0.00 C ATOM 65 NZ LYS A 4 9.639 -7.932 -56.986 1.00 0.00 N ATOM 0 H LYS A 4 10.530 -10.932 -53.172 1.00 0.00 H new ATOM 0 HA LYS A 4 11.502 -8.792 -51.335 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.759 -7.504 -53.711 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.115 -8.347 -52.987 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.079 -9.123 -55.250 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.362 -10.435 -54.336 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.915 -10.072 -56.243 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.060 -9.430 -54.854 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.845 -7.113 -55.417 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.761 -7.738 -56.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.534 -7.021 -57.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.702 -8.697 -57.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.815 -8.092 -56.373 1.00 0.00 H new ATOM 79 N GLY A 5 9.502 -7.336 -52.086 1.00 0.00 N ATOM 80 CA GLY A 5 8.136 -6.751 -52.228 1.00 0.00 C ATOM 81 C GLY A 5 8.246 -5.244 -52.469 1.00 0.00 C ATOM 82 O GLY A 5 8.802 -4.518 -51.664 1.00 0.00 O ATOM 0 H GLY A 5 10.187 -6.727 -51.639 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.611 -7.225 -53.057 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.551 -6.944 -51.329 1.00 0.00 H new ATOM 86 N GLY A 6 7.721 -4.768 -53.572 1.00 0.00 N ATOM 87 CA GLY A 6 7.793 -3.307 -53.872 1.00 0.00 C ATOM 88 C GLY A 6 6.692 -2.571 -53.107 1.00 0.00 C ATOM 89 O GLY A 6 6.946 -1.928 -52.104 1.00 0.00 O ATOM 0 H GLY A 6 7.245 -5.331 -54.277 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.770 -2.915 -53.590 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.680 -3.139 -54.943 1.00 0.00 H new ATOM 93 N TYR A 7 5.469 -2.661 -53.574 1.00 0.00 N ATOM 94 CA TYR A 7 4.337 -1.970 -52.880 1.00 0.00 C ATOM 95 C TYR A 7 4.185 -2.506 -51.452 1.00 0.00 C ATOM 96 O TYR A 7 4.206 -3.702 -51.228 1.00 0.00 O ATOM 97 CB TYR A 7 3.090 -2.296 -53.709 1.00 0.00 C ATOM 98 CG TYR A 7 3.006 -1.363 -54.896 1.00 0.00 C ATOM 99 CD1 TYR A 7 2.573 -0.042 -54.721 1.00 0.00 C ATOM 100 CD2 TYR A 7 3.359 -1.820 -56.172 1.00 0.00 C ATOM 101 CE1 TYR A 7 2.495 0.820 -55.821 1.00 0.00 C ATOM 102 CE2 TYR A 7 3.280 -0.957 -57.271 1.00 0.00 C ATOM 103 CZ TYR A 7 2.848 0.362 -57.096 1.00 0.00 C ATOM 104 OH TYR A 7 2.770 1.212 -58.179 1.00 0.00 O ATOM 0 H TYR A 7 5.206 -3.185 -54.409 1.00 0.00 H new ATOM 0 HA TYR A 7 4.501 -0.895 -52.803 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.129 -3.331 -54.050 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.196 -2.197 -53.093 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.300 0.311 -53.738 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.692 -2.838 -56.308 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.162 1.839 -55.686 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.553 -1.310 -58.255 1.00 0.00 H new ATOM 0 HH TYR A 7 3.052 0.737 -58.989 1.00 0.00 H new ATOM 114 N ALA A 8 4.035 -1.622 -50.490 1.00 0.00 N ATOM 115 CA ALA A 8 3.883 -2.045 -49.059 1.00 0.00 C ATOM 116 C ALA A 8 5.139 -2.792 -48.582 1.00 0.00 C ATOM 117 O ALA A 8 5.222 -4.005 -48.653 1.00 0.00 O ATOM 118 CB ALA A 8 2.652 -2.959 -49.025 1.00 0.00 C ATOM 0 H ALA A 8 4.011 -0.613 -50.639 1.00 0.00 H new ATOM 0 HA ALA A 8 3.759 -1.190 -48.395 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.484 -3.305 -48.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.778 -2.406 -49.369 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.818 -3.817 -49.676 1.00 0.00 H new ATOM 124 N ARG A 9 6.117 -2.069 -48.093 1.00 0.00 N ATOM 125 CA ARG A 9 7.370 -2.723 -47.608 1.00 0.00 C ATOM 126 C ARG A 9 7.228 -3.118 -46.130 1.00 0.00 C ATOM 127 O ARG A 9 6.826 -2.312 -45.312 1.00 0.00 O ATOM 128 CB ARG A 9 8.465 -1.667 -47.780 1.00 0.00 C ATOM 129 CG ARG A 9 9.836 -2.349 -47.806 1.00 0.00 C ATOM 130 CD ARG A 9 10.335 -2.445 -49.250 1.00 0.00 C ATOM 131 NE ARG A 9 11.234 -1.270 -49.429 1.00 0.00 N ATOM 132 CZ ARG A 9 12.281 -1.361 -50.202 1.00 0.00 C ATOM 133 NH1 ARG A 9 13.380 -1.905 -49.750 1.00 0.00 N ATOM 134 NH2 ARG A 9 12.225 -0.910 -51.428 1.00 0.00 N ATOM 0 H ARG A 9 6.100 -1.053 -48.009 1.00 0.00 H new ATOM 0 HA ARG A 9 7.596 -3.636 -48.159 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.306 -1.111 -48.704 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.421 -0.947 -46.963 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.546 -1.784 -47.202 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.766 -3.345 -47.368 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.869 -3.380 -49.421 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.505 -2.418 -49.956 1.00 0.00 H new ATOM 0 HE ARG A 9 11.031 -0.394 -48.947 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.419 -2.258 -48.794 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.199 -1.977 -50.353 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.364 -0.488 -51.778 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.042 -0.980 -52.035 1.00 0.00 H new ATOM 148 N PRO A 10 7.569 -4.353 -45.836 1.00 0.00 N ATOM 149 CA PRO A 10 7.481 -4.857 -44.439 1.00 0.00 C ATOM 150 C PRO A 10 8.599 -4.257 -43.572 1.00 0.00 C ATOM 151 O PRO A 10 9.698 -4.014 -44.036 1.00 0.00 O ATOM 152 CB PRO A 10 7.659 -6.366 -44.590 1.00 0.00 C ATOM 153 CG PRO A 10 8.418 -6.543 -45.867 1.00 0.00 C ATOM 154 CD PRO A 10 8.059 -5.384 -46.762 1.00 0.00 C ATOM 0 HA PRO A 10 6.545 -4.589 -43.948 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.206 -6.785 -43.745 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.696 -6.875 -44.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.491 -6.565 -45.677 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.159 -7.490 -46.341 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.923 -5.034 -47.327 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.295 -5.663 -47.488 1.00 0.00 H new ATOM 162 N ILE A 11 8.322 -4.022 -42.312 1.00 0.00 N ATOM 163 CA ILE A 11 9.356 -3.442 -41.406 1.00 0.00 C ATOM 164 C ILE A 11 10.210 -4.566 -40.797 1.00 0.00 C ATOM 165 O ILE A 11 9.687 -5.584 -40.388 1.00 0.00 O ATOM 166 CB ILE A 11 8.570 -2.704 -40.312 1.00 0.00 C ATOM 167 CG1 ILE A 11 7.776 -1.544 -40.934 1.00 0.00 C ATOM 168 CG2 ILE A 11 9.535 -2.152 -39.258 1.00 0.00 C ATOM 169 CD1 ILE A 11 8.732 -0.544 -41.594 1.00 0.00 C ATOM 0 H ILE A 11 7.420 -4.209 -41.873 1.00 0.00 H new ATOM 0 HA ILE A 11 10.036 -2.772 -41.931 1.00 0.00 H new ATOM 0 HB ILE A 11 7.881 -3.404 -39.839 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.074 -1.929 -41.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.187 -1.043 -40.166 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.970 -1.630 -38.486 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.091 -2.974 -38.808 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.231 -1.458 -39.730 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.159 0.273 -42.031 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.417 -0.147 -40.845 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.301 -1.047 -42.376 1.00 0.00 H new ATOM 181 N PRO A 12 11.501 -4.335 -40.757 1.00 0.00 N ATOM 182 CA PRO A 12 12.444 -5.336 -40.191 1.00 0.00 C ATOM 183 C PRO A 12 12.275 -5.429 -38.667 1.00 0.00 C ATOM 184 O PRO A 12 12.917 -4.722 -37.912 1.00 0.00 O ATOM 185 CB PRO A 12 13.819 -4.788 -40.568 1.00 0.00 C ATOM 186 CG PRO A 12 13.613 -3.318 -40.745 1.00 0.00 C ATOM 187 CD PRO A 12 12.198 -3.133 -41.228 1.00 0.00 C ATOM 0 HA PRO A 12 12.282 -6.345 -40.570 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.553 -4.993 -39.789 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.190 -5.248 -41.484 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.773 -2.789 -39.805 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.324 -2.912 -41.465 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.752 -2.227 -40.818 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.155 -3.047 -42.314 1.00 0.00 H new ATOM 195 N ARG A 13 11.406 -6.299 -38.218 1.00 0.00 N ATOM 196 CA ARG A 13 11.175 -6.454 -36.754 1.00 0.00 C ATOM 197 C ARG A 13 11.127 -7.943 -36.380 1.00 0.00 C ATOM 198 O ARG A 13 10.795 -8.778 -37.202 1.00 0.00 O ATOM 199 CB ARG A 13 9.818 -5.793 -36.493 1.00 0.00 C ATOM 200 CG ARG A 13 10.004 -4.282 -36.318 1.00 0.00 C ATOM 201 CD ARG A 13 10.119 -3.944 -34.829 1.00 0.00 C ATOM 202 NE ARG A 13 11.316 -3.059 -34.723 1.00 0.00 N ATOM 203 CZ ARG A 13 11.180 -1.819 -34.334 1.00 0.00 C ATOM 204 NH1 ARG A 13 10.739 -0.918 -35.172 1.00 0.00 N ATOM 205 NH2 ARG A 13 11.487 -1.484 -33.108 1.00 0.00 N ATOM 0 H ARG A 13 10.844 -6.912 -38.809 1.00 0.00 H new ATOM 0 HA ARG A 13 11.970 -6.001 -36.161 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.140 -5.992 -37.323 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.361 -6.219 -35.600 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.899 -3.953 -36.845 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.161 -3.749 -36.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.222 -3.439 -34.469 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.241 -4.845 -34.228 1.00 0.00 H new ATOM 0 HE ARG A 13 12.241 -3.422 -34.954 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.502 -1.183 -36.128 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.632 0.050 -34.870 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.832 -2.190 -32.458 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.382 -0.517 -32.802 1.00 0.00 H new ATOM 219 N PRO A 14 11.459 -8.224 -35.144 1.00 0.00 N ATOM 220 CA PRO A 14 11.452 -9.625 -34.649 1.00 0.00 C ATOM 221 C PRO A 14 10.010 -10.135 -34.492 1.00 0.00 C ATOM 222 O PRO A 14 9.137 -9.397 -34.074 1.00 0.00 O ATOM 223 CB PRO A 14 12.152 -9.531 -33.296 1.00 0.00 C ATOM 224 CG PRO A 14 11.955 -8.116 -32.854 1.00 0.00 C ATOM 225 CD PRO A 14 11.865 -7.275 -34.100 1.00 0.00 C ATOM 0 HA PRO A 14 11.943 -10.322 -35.328 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.722 -10.231 -32.580 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.211 -9.773 -33.382 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.047 -8.021 -32.258 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.784 -7.789 -32.227 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.137 -6.471 -33.987 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.821 -6.808 -34.336 1.00 0.00 H new ATOM 233 N PRO A 15 9.807 -11.387 -34.837 1.00 0.00 N ATOM 234 CA PRO A 15 8.455 -12.001 -34.738 1.00 0.00 C ATOM 235 C PRO A 15 8.082 -12.274 -33.269 1.00 0.00 C ATOM 236 O PRO A 15 8.804 -12.956 -32.566 1.00 0.00 O ATOM 237 CB PRO A 15 8.598 -13.308 -35.514 1.00 0.00 C ATOM 238 CG PRO A 15 10.056 -13.641 -35.456 1.00 0.00 C ATOM 239 CD PRO A 15 10.805 -12.337 -35.351 1.00 0.00 C ATOM 0 HA PRO A 15 7.668 -11.358 -35.131 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.995 -14.099 -35.068 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.261 -13.193 -36.544 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.272 -14.279 -34.599 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.361 -14.190 -36.347 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.658 -12.421 -34.678 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.193 -12.022 -36.320 1.00 0.00 H new ATOM 247 N PRO A 16 6.959 -11.730 -32.857 1.00 0.00 N ATOM 248 CA PRO A 16 6.484 -11.920 -31.462 1.00 0.00 C ATOM 249 C PRO A 16 5.932 -13.342 -31.274 1.00 0.00 C ATOM 250 O PRO A 16 4.849 -13.663 -31.728 1.00 0.00 O ATOM 251 CB PRO A 16 5.380 -10.878 -31.311 1.00 0.00 C ATOM 252 CG PRO A 16 4.889 -10.623 -32.701 1.00 0.00 C ATOM 253 CD PRO A 16 6.038 -10.895 -33.639 1.00 0.00 C ATOM 0 HA PRO A 16 7.273 -11.802 -30.720 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.577 -11.244 -30.671 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.760 -9.965 -30.854 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.042 -11.268 -32.934 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.544 -9.594 -32.804 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.702 -11.410 -34.539 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.516 -9.970 -33.960 1.00 0.00 H new ATOM 261 N PHE A 17 6.677 -14.192 -30.612 1.00 0.00 N ATOM 262 CA PHE A 17 6.208 -15.595 -30.391 1.00 0.00 C ATOM 263 C PHE A 17 5.039 -15.626 -29.403 1.00 0.00 C ATOM 264 O PHE A 17 4.824 -14.699 -28.643 1.00 0.00 O ATOM 265 CB PHE A 17 7.418 -16.340 -29.818 1.00 0.00 C ATOM 266 CG PHE A 17 7.213 -17.830 -29.972 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.294 -18.422 -31.238 1.00 0.00 C ATOM 268 CD2 PHE A 17 6.940 -18.618 -28.847 1.00 0.00 C ATOM 269 CE1 PHE A 17 7.102 -19.802 -31.379 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.748 -19.997 -28.988 1.00 0.00 C ATOM 271 CZ PHE A 17 6.829 -20.589 -30.255 1.00 0.00 C ATOM 0 H PHE A 17 7.591 -13.975 -30.215 1.00 0.00 H new ATOM 0 HA PHE A 17 5.849 -16.052 -31.313 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.326 -16.032 -30.336 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.549 -16.087 -28.766 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.505 -17.815 -32.106 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.878 -18.161 -27.870 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.165 -20.259 -32.356 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.537 -20.605 -28.120 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.681 -21.653 -30.364 1.00 0.00 H new ATOM 281 N VAL A 18 4.285 -16.693 -29.412 1.00 0.00 N ATOM 282 CA VAL A 18 3.118 -16.811 -28.482 1.00 0.00 C ATOM 283 C VAL A 18 3.600 -17.154 -27.067 1.00 0.00 C ATOM 284 O VAL A 18 4.544 -17.901 -26.884 1.00 0.00 O ATOM 285 CB VAL A 18 2.259 -17.949 -29.050 1.00 0.00 C ATOM 286 CG1 VAL A 18 1.015 -18.139 -28.177 1.00 0.00 C ATOM 287 CG2 VAL A 18 1.823 -17.605 -30.479 1.00 0.00 C ATOM 0 H VAL A 18 4.426 -17.494 -30.027 1.00 0.00 H new ATOM 0 HA VAL A 18 2.557 -15.880 -28.410 1.00 0.00 H new ATOM 0 HB VAL A 18 2.845 -18.868 -29.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.406 -18.947 -28.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.319 -18.388 -27.160 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.433 -17.217 -28.167 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.213 -18.416 -30.878 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.241 -16.684 -30.470 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.704 -17.471 -31.106 1.00 0.00 H new ATOM 297 N ARG A 19 2.954 -16.611 -26.066 1.00 0.00 N ATOM 298 CA ARG A 19 3.359 -16.893 -24.661 1.00 0.00 C ATOM 299 C ARG A 19 2.169 -17.468 -23.875 1.00 0.00 C ATOM 300 O ARG A 19 1.048 -17.027 -24.046 1.00 0.00 O ATOM 301 CB ARG A 19 3.778 -15.533 -24.100 1.00 0.00 C ATOM 302 CG ARG A 19 5.050 -15.691 -23.263 1.00 0.00 C ATOM 303 CD ARG A 19 5.198 -14.493 -22.319 1.00 0.00 C ATOM 304 NE ARG A 19 4.309 -14.800 -21.160 1.00 0.00 N ATOM 305 CZ ARG A 19 4.713 -15.613 -20.217 1.00 0.00 C ATOM 306 NH1 ARG A 19 5.809 -15.350 -19.553 1.00 0.00 N ATOM 307 NH2 ARG A 19 4.018 -16.684 -19.938 1.00 0.00 N ATOM 0 H ARG A 19 2.158 -15.981 -26.166 1.00 0.00 H new ATOM 0 HA ARG A 19 4.163 -17.626 -24.593 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.952 -14.830 -24.915 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.977 -15.119 -23.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.006 -16.616 -22.688 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.920 -15.762 -23.916 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.233 -14.368 -22.000 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.901 -13.566 -22.809 1.00 0.00 H new ATOM 0 HE ARG A 19 3.384 -14.375 -21.103 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.348 -14.512 -19.770 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.124 -15.983 -18.818 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.162 -16.885 -20.455 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.332 -17.318 -19.203 1.00 0.00 H new ATOM 321 N PRO A 20 2.451 -18.440 -23.039 1.00 0.00 N ATOM 322 CA PRO A 20 1.383 -19.081 -22.228 1.00 0.00 C ATOM 323 C PRO A 20 0.851 -18.116 -21.163 1.00 0.00 C ATOM 324 O PRO A 20 1.479 -17.125 -20.835 1.00 0.00 O ATOM 325 CB PRO A 20 2.084 -20.276 -21.585 1.00 0.00 C ATOM 326 CG PRO A 20 3.529 -19.902 -21.563 1.00 0.00 C ATOM 327 CD PRO A 20 3.768 -19.028 -22.764 1.00 0.00 C ATOM 0 HA PRO A 20 0.517 -19.372 -22.823 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.708 -20.461 -20.579 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.920 -21.188 -22.160 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.778 -19.372 -20.643 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.159 -20.791 -21.599 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.513 -18.260 -22.557 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.133 -19.606 -23.613 1.00 0.00 H new ATOM 335 N LEU A 21 -0.302 -18.406 -20.624 1.00 0.00 N ATOM 336 CA LEU A 21 -0.895 -17.520 -19.577 1.00 0.00 C ATOM 337 C LEU A 21 -0.848 -18.215 -18.209 1.00 0.00 C ATOM 338 O LEU A 21 -1.629 -19.109 -17.944 1.00 0.00 O ATOM 339 CB LEU A 21 -2.347 -17.294 -20.018 1.00 0.00 C ATOM 340 CG LEU A 21 -2.376 -16.470 -21.310 1.00 0.00 C ATOM 341 CD1 LEU A 21 -3.561 -16.911 -22.172 1.00 0.00 C ATOM 342 CD2 LEU A 21 -2.522 -14.984 -20.968 1.00 0.00 C ATOM 0 H LEU A 21 -0.863 -19.223 -20.864 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.352 -16.580 -19.476 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.842 -18.252 -20.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.898 -16.776 -19.233 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.448 -16.627 -21.859 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.581 -16.325 -23.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.458 -17.968 -22.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.489 -16.755 -21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.542 -14.399 -21.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.449 -14.827 -20.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.678 -14.667 -20.355 1.00 0.00 H new ATOM 354 N PRO A 22 0.076 -17.779 -17.381 1.00 0.00 N ATOM 355 CA PRO A 22 0.228 -18.370 -16.025 1.00 0.00 C ATOM 356 C PRO A 22 -0.897 -17.892 -15.095 1.00 0.00 C ATOM 357 O PRO A 22 -1.246 -16.727 -15.080 1.00 0.00 O ATOM 358 CB PRO A 22 1.583 -17.847 -15.556 1.00 0.00 C ATOM 359 CG PRO A 22 1.804 -16.583 -16.326 1.00 0.00 C ATOM 360 CD PRO A 22 1.056 -16.711 -17.628 1.00 0.00 C ATOM 0 HA PRO A 22 0.173 -19.459 -16.026 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.582 -17.659 -14.482 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.374 -18.571 -15.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.446 -15.722 -15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.867 -16.426 -16.508 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.565 -15.776 -17.898 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.726 -16.968 -18.448 1.00 0.00 H new ATOM 368 N GLY A 23 -1.462 -18.786 -14.321 1.00 0.00 N ATOM 369 CA GLY A 23 -2.564 -18.389 -13.392 1.00 0.00 C ATOM 370 C GLY A 23 -1.972 -17.911 -12.061 1.00 0.00 C ATOM 371 O GLY A 23 -1.098 -17.064 -12.033 1.00 0.00 O ATOM 0 H GLY A 23 -1.207 -19.773 -14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.162 -17.596 -13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.231 -19.234 -13.222 1.00 0.00 H new ATOM 375 N GLY A 24 -2.441 -18.444 -10.956 1.00 0.00 N ATOM 376 CA GLY A 24 -1.907 -18.017 -9.626 1.00 0.00 C ATOM 377 C GLY A 24 -2.736 -16.842 -9.090 1.00 0.00 C ATOM 378 O GLY A 24 -3.215 -16.024 -9.854 1.00 0.00 O ATOM 0 H GLY A 24 -3.170 -19.156 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.943 -18.850 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.861 -17.724 -9.720 1.00 0.00 H new ATOM 382 N PRO A 25 -2.883 -16.796 -7.783 1.00 0.00 N ATOM 383 CA PRO A 25 -3.665 -15.707 -7.141 1.00 0.00 C ATOM 384 C PRO A 25 -2.886 -14.386 -7.183 1.00 0.00 C ATOM 385 O PRO A 25 -2.010 -14.139 -6.374 1.00 0.00 O ATOM 386 CB PRO A 25 -3.849 -16.194 -5.707 1.00 0.00 C ATOM 387 CG PRO A 25 -2.712 -17.136 -5.464 1.00 0.00 C ATOM 388 CD PRO A 25 -2.341 -17.740 -6.794 1.00 0.00 C ATOM 0 HA PRO A 25 -4.613 -15.509 -7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.829 -15.362 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.809 -16.695 -5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.862 -16.609 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.001 -17.913 -4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.261 -17.847 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.772 -18.734 -6.914 1.00 0.00 H new ATOM 396 N ILE A 26 -3.204 -13.543 -8.128 1.00 0.00 N ATOM 397 CA ILE A 26 -2.494 -12.234 -8.248 1.00 0.00 C ATOM 398 C ILE A 26 -3.505 -11.081 -8.211 1.00 0.00 C ATOM 399 O ILE A 26 -4.630 -11.218 -8.652 1.00 0.00 O ATOM 400 CB ILE A 26 -1.781 -12.289 -9.606 1.00 0.00 C ATOM 401 CG1 ILE A 26 -0.754 -13.429 -9.604 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.060 -10.964 -9.868 1.00 0.00 C ATOM 403 CD1 ILE A 26 -0.719 -14.089 -10.985 1.00 0.00 C ATOM 0 H ILE A 26 -3.929 -13.705 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.793 -12.066 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.520 -12.462 -10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.233 -13.043 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.014 -14.166 -8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.556 -11.009 -10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.785 -10.150 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.325 -10.788 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.011 -14.899 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.705 -14.489 -11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.438 -13.349 -11.735 1.00 0.00 H new ATOM 415 N GLY A 27 -3.110 -9.947 -7.689 1.00 0.00 N ATOM 416 CA GLY A 27 -4.042 -8.782 -7.619 1.00 0.00 C ATOM 417 C GLY A 27 -4.767 -8.779 -6.265 1.00 0.00 C ATOM 418 O GLY A 27 -5.321 -9.783 -5.860 1.00 0.00 O ATOM 0 H GLY A 27 -2.179 -9.778 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.488 -7.852 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.768 -8.835 -8.431 1.00 0.00 H new ATOM 422 N PRO A 28 -4.737 -7.640 -5.607 1.00 0.00 N ATOM 423 CA PRO A 28 -5.400 -7.501 -4.281 1.00 0.00 C ATOM 424 C PRO A 28 -6.926 -7.334 -4.420 1.00 0.00 C ATOM 425 O PRO A 28 -7.623 -7.168 -3.435 1.00 0.00 O ATOM 426 CB PRO A 28 -4.781 -6.230 -3.709 1.00 0.00 C ATOM 427 CG PRO A 28 -4.343 -5.429 -4.896 1.00 0.00 C ATOM 428 CD PRO A 28 -4.087 -6.391 -6.029 1.00 0.00 C ATOM 0 HA PRO A 28 -5.256 -8.380 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.503 -5.678 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.937 -6.462 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.110 -4.706 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.441 -4.863 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.506 -6.022 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.019 -6.535 -6.193 1.00 0.00 H new ATOM 436 N TYR A 29 -7.450 -7.367 -5.623 1.00 0.00 N ATOM 437 CA TYR A 29 -8.925 -7.201 -5.808 1.00 0.00 C ATOM 438 C TYR A 29 -9.656 -8.509 -5.460 1.00 0.00 C ATOM 439 O TYR A 29 -10.226 -9.163 -6.314 1.00 0.00 O ATOM 440 CB TYR A 29 -9.105 -6.857 -7.290 1.00 0.00 C ATOM 441 CG TYR A 29 -10.313 -5.967 -7.460 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.577 -6.533 -7.664 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.166 -4.575 -7.426 1.00 0.00 C ATOM 444 CE1 TYR A 29 -12.693 -5.706 -7.829 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.281 -3.749 -7.594 1.00 0.00 C ATOM 446 CZ TYR A 29 -12.547 -4.314 -7.794 1.00 0.00 C ATOM 447 OH TYR A 29 -13.648 -3.500 -7.958 1.00 0.00 O ATOM 0 H TYR A 29 -6.919 -7.502 -6.483 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.338 -6.428 -5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.215 -6.355 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.228 -7.770 -7.873 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.690 -7.607 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.190 -4.139 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.669 -6.142 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.166 -2.675 -7.570 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.767 -3.298 -8.910 1.00 0.00 H new ATOM 457 N ASN A 30 -9.640 -8.891 -4.208 1.00 0.00 N ATOM 458 CA ASN A 30 -10.325 -10.152 -3.796 1.00 0.00 C ATOM 459 C ASN A 30 -11.161 -9.922 -2.528 1.00 0.00 C ATOM 460 O ASN A 30 -11.174 -10.739 -1.626 1.00 0.00 O ATOM 461 CB ASN A 30 -9.192 -11.147 -3.528 1.00 0.00 C ATOM 462 CG ASN A 30 -8.787 -11.830 -4.837 1.00 0.00 C ATOM 463 OD1 ASN A 30 -7.870 -11.395 -5.504 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.436 -12.889 -5.237 1.00 0.00 N ATOM 0 H ASN A 30 -9.181 -8.382 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.014 -10.515 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.335 -10.630 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.514 -11.893 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.173 -13.350 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.206 -13.256 -4.678 1.00 0.00 H new ATOM 471 N GLY A 31 -11.860 -8.816 -2.456 1.00 0.00 N ATOM 472 CA GLY A 31 -12.694 -8.538 -1.250 1.00 0.00 C ATOM 473 C GLY A 31 -13.347 -7.153 -1.351 1.00 0.00 C ATOM 474 O GLY A 31 -13.353 -6.398 -0.396 1.00 0.00 O ATOM 0 H GLY A 31 -11.888 -8.097 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.464 -9.303 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.076 -8.590 -0.354 1.00 0.00 H new ATOM 478 N CYS A 32 -13.904 -6.818 -2.493 1.00 0.00 N ATOM 479 CA CYS A 32 -14.569 -5.483 -2.650 1.00 0.00 C ATOM 480 C CYS A 32 -15.273 -5.391 -4.015 1.00 0.00 C ATOM 481 O CYS A 32 -14.705 -4.904 -4.974 1.00 0.00 O ATOM 482 CB CYS A 32 -13.442 -4.450 -2.562 1.00 0.00 C ATOM 483 SG CYS A 32 -14.146 -2.790 -2.714 1.00 0.00 S ATOM 0 H CYS A 32 -13.927 -7.411 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.329 -5.319 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.914 -4.549 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.712 -4.622 -3.352 1.00 0.00 H new ATOM 488 N PRO A 33 -16.498 -5.861 -4.052 1.00 0.00 N ATOM 489 CA PRO A 33 -17.295 -5.825 -5.310 1.00 0.00 C ATOM 490 C PRO A 33 -17.743 -4.389 -5.633 1.00 0.00 C ATOM 491 O PRO A 33 -18.099 -3.632 -4.751 1.00 0.00 O ATOM 492 CB PRO A 33 -18.501 -6.709 -4.991 1.00 0.00 C ATOM 493 CG PRO A 33 -18.631 -6.666 -3.501 1.00 0.00 C ATOM 494 CD PRO A 33 -17.247 -6.469 -2.943 1.00 0.00 C ATOM 0 HA PRO A 33 -16.733 -6.166 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.403 -6.336 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.347 -7.729 -5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.289 -5.853 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.070 -7.590 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.259 -5.821 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.803 -7.415 -2.633 1.00 0.00 H new ATOM 502 N VAL A 34 -17.734 -4.016 -6.892 1.00 0.00 N ATOM 503 CA VAL A 34 -18.169 -2.632 -7.278 1.00 0.00 C ATOM 504 C VAL A 34 -19.667 -2.442 -6.985 1.00 0.00 C ATOM 505 O VAL A 34 -20.120 -1.341 -6.735 1.00 0.00 O ATOM 506 CB VAL A 34 -17.887 -2.520 -8.785 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.700 -1.369 -9.390 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.399 -2.245 -9.007 1.00 0.00 C ATOM 0 H VAL A 34 -17.444 -4.609 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.639 -1.864 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.170 -3.456 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.492 -1.299 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.763 -1.556 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.423 -0.433 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.199 -2.166 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.124 -1.311 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.812 -3.062 -8.588 1.00 0.00 H new ATOM 518 N SER A 35 -20.435 -3.508 -7.014 1.00 0.00 N ATOM 519 CA SER A 35 -21.902 -3.396 -6.735 1.00 0.00 C ATOM 520 C SER A 35 -22.156 -2.963 -5.281 1.00 0.00 C ATOM 521 O SER A 35 -23.235 -2.508 -4.950 1.00 0.00 O ATOM 522 CB SER A 35 -22.461 -4.799 -6.983 1.00 0.00 C ATOM 523 OG SER A 35 -23.778 -4.695 -7.510 1.00 0.00 O ATOM 0 H SER A 35 -20.107 -4.452 -7.219 1.00 0.00 H new ATOM 0 HA SER A 35 -22.377 -2.645 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.820 -5.340 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.473 -5.368 -6.053 1.00 0.00 H new ATOM 0 HG SER A 35 -24.138 -5.592 -7.671 1.00 0.00 H new ATOM 529 N CYS A 36 -21.172 -3.104 -4.413 1.00 0.00 N ATOM 530 CA CYS A 36 -21.342 -2.705 -2.975 1.00 0.00 C ATOM 531 C CYS A 36 -22.507 -3.465 -2.321 1.00 0.00 C ATOM 532 O CYS A 36 -23.116 -2.989 -1.377 1.00 0.00 O ATOM 533 CB CYS A 36 -21.620 -1.196 -2.997 1.00 0.00 C ATOM 534 SG CYS A 36 -20.140 -0.310 -3.553 1.00 0.00 S ATOM 0 H CYS A 36 -20.253 -3.481 -4.644 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.455 -2.945 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.456 -0.980 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.908 -0.855 -2.002 1.00 0.00 H new ATOM 539 N ARG A 37 -22.812 -4.645 -2.806 1.00 0.00 N ATOM 540 CA ARG A 37 -23.926 -5.437 -2.207 1.00 0.00 C ATOM 541 C ARG A 37 -23.370 -6.706 -1.556 1.00 0.00 C ATOM 542 O ARG A 37 -22.386 -7.266 -2.005 1.00 0.00 O ATOM 543 CB ARG A 37 -24.855 -5.785 -3.371 1.00 0.00 C ATOM 544 CG ARG A 37 -25.627 -4.536 -3.808 1.00 0.00 C ATOM 545 CD ARG A 37 -27.090 -4.649 -3.367 1.00 0.00 C ATOM 546 NE ARG A 37 -27.177 -3.875 -2.092 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.251 -3.180 -1.820 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.393 -3.787 -1.629 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.178 -1.877 -1.740 1.00 0.00 N ATOM 0 H ARG A 37 -22.336 -5.091 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.455 -4.883 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.275 -6.177 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.551 -6.568 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.174 -3.646 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.572 -4.423 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.761 -4.240 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.376 -5.690 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.398 -3.889 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -29.447 -4.804 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.230 -3.244 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -27.286 -1.406 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.013 -1.331 -1.528 1.00 0.00 H new ATOM 563 N GLY A 38 -23.989 -7.159 -0.497 1.00 0.00 N ATOM 564 CA GLY A 38 -23.496 -8.387 0.195 1.00 0.00 C ATOM 565 C GLY A 38 -22.190 -8.077 0.943 1.00 0.00 C ATOM 566 O GLY A 38 -21.349 -8.939 1.111 1.00 0.00 O ATOM 0 H GLY A 38 -24.816 -6.731 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.249 -8.748 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.329 -9.182 -0.532 1.00 0.00 H new ATOM 570 N ILE A 39 -22.020 -6.857 1.400 1.00 0.00 N ATOM 571 CA ILE A 39 -20.774 -6.498 2.144 1.00 0.00 C ATOM 572 C ILE A 39 -21.135 -5.917 3.512 1.00 0.00 C ATOM 573 O ILE A 39 -22.215 -5.388 3.710 1.00 0.00 O ATOM 574 CB ILE A 39 -20.042 -5.445 1.294 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.843 -4.135 1.272 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.864 -5.961 -0.138 1.00 0.00 C ATOM 577 CD1 ILE A 39 -20.102 -3.091 0.433 1.00 0.00 C ATOM 0 H ILE A 39 -22.691 -6.097 1.289 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.144 -7.372 2.309 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.063 -5.258 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.835 -4.311 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.983 -3.766 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.345 -5.210 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.279 -6.880 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.842 -6.160 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.673 -2.163 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.119 -2.906 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.985 -3.460 -0.586 1.00 0.00 H new ATOM 589 N SER A 40 -20.233 -6.004 4.450 1.00 0.00 N ATOM 590 CA SER A 40 -20.504 -5.452 5.805 1.00 0.00 C ATOM 591 C SER A 40 -20.234 -3.947 5.804 1.00 0.00 C ATOM 592 O SER A 40 -19.488 -3.447 4.982 1.00 0.00 O ATOM 593 CB SER A 40 -19.525 -6.170 6.740 1.00 0.00 C ATOM 594 OG SER A 40 -19.394 -7.530 6.342 1.00 0.00 O ATOM 0 H SER A 40 -19.316 -6.436 4.335 1.00 0.00 H new ATOM 0 HA SER A 40 -21.538 -5.602 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.553 -5.677 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.882 -6.114 7.768 1.00 0.00 H new ATOM 0 HG SER A 40 -18.766 -7.987 6.940 1.00 0.00 H new ATOM 600 N PHE A 41 -20.824 -3.222 6.720 1.00 0.00 N ATOM 601 CA PHE A 41 -20.586 -1.746 6.774 1.00 0.00 C ATOM 602 C PHE A 41 -19.086 -1.470 6.934 1.00 0.00 C ATOM 603 O PHE A 41 -18.546 -0.567 6.324 1.00 0.00 O ATOM 604 CB PHE A 41 -21.364 -1.255 7.999 1.00 0.00 C ATOM 605 CG PHE A 41 -21.569 0.240 7.910 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.477 0.773 6.985 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.849 1.094 8.754 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.665 2.158 6.908 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.038 2.478 8.675 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.945 3.010 7.752 1.00 0.00 C ATOM 0 H PHE A 41 -21.458 -3.586 7.431 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.911 -1.238 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.328 -1.761 8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.820 -1.503 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.031 0.115 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.148 0.684 9.466 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.366 2.569 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.483 3.136 9.327 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.089 4.079 7.691 1.00 0.00 H new ATOM 620 N SER A 42 -18.412 -2.255 7.740 1.00 0.00 N ATOM 621 CA SER A 42 -16.942 -2.059 7.931 1.00 0.00 C ATOM 622 C SER A 42 -16.188 -2.453 6.655 1.00 0.00 C ATOM 623 O SER A 42 -15.201 -1.839 6.296 1.00 0.00 O ATOM 624 CB SER A 42 -16.558 -2.982 9.089 1.00 0.00 C ATOM 625 OG SER A 42 -15.367 -2.500 9.701 1.00 0.00 O ATOM 0 H SER A 42 -18.818 -3.024 8.274 1.00 0.00 H new ATOM 0 HA SER A 42 -16.690 -1.020 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.365 -3.022 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.407 -3.998 8.724 1.00 0.00 H new ATOM 0 HG SER A 42 -15.120 -3.089 10.444 1.00 0.00 H new ATOM 631 N GLN A 43 -16.655 -3.468 5.960 1.00 0.00 N ATOM 632 CA GLN A 43 -15.973 -3.894 4.699 1.00 0.00 C ATOM 633 C GLN A 43 -16.085 -2.791 3.644 1.00 0.00 C ATOM 634 O GLN A 43 -15.144 -2.517 2.923 1.00 0.00 O ATOM 635 CB GLN A 43 -16.716 -5.155 4.240 1.00 0.00 C ATOM 636 CG GLN A 43 -15.768 -6.047 3.435 1.00 0.00 C ATOM 637 CD GLN A 43 -16.555 -7.202 2.812 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.673 -8.259 3.400 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.105 -7.047 1.638 1.00 0.00 N ATOM 0 H GLN A 43 -17.477 -4.016 6.214 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.911 -4.086 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.097 -5.699 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.577 -4.880 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.279 -5.464 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.982 -6.436 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.008 -6.161 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.632 -7.812 1.217 1.00 0.00 H new ATOM 648 N ALA A 44 -17.228 -2.153 3.557 1.00 0.00 N ATOM 649 CA ALA A 44 -17.412 -1.059 2.558 1.00 0.00 C ATOM 650 C ALA A 44 -16.592 0.174 2.962 1.00 0.00 C ATOM 651 O ALA A 44 -16.049 0.868 2.124 1.00 0.00 O ATOM 652 CB ALA A 44 -18.910 -0.747 2.587 1.00 0.00 C ATOM 0 H ALA A 44 -18.043 -2.346 4.139 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.076 -1.346 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.129 0.051 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.473 -1.640 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.196 -0.429 3.590 1.00 0.00 H new ATOM 658 N ARG A 45 -16.491 0.438 4.241 1.00 0.00 N ATOM 659 CA ARG A 45 -15.697 1.616 4.708 1.00 0.00 C ATOM 660 C ARG A 45 -14.198 1.368 4.485 1.00 0.00 C ATOM 661 O ARG A 45 -13.440 2.287 4.230 1.00 0.00 O ATOM 662 CB ARG A 45 -16.001 1.744 6.206 1.00 0.00 C ATOM 663 CG ARG A 45 -16.601 3.123 6.491 1.00 0.00 C ATOM 664 CD ARG A 45 -17.679 3.000 7.572 1.00 0.00 C ATOM 665 NE ARG A 45 -18.729 3.985 7.184 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.675 5.211 7.633 1.00 0.00 C ATOM 667 NH1 ARG A 45 -18.971 5.462 8.882 1.00 0.00 N ATOM 668 NH2 ARG A 45 -18.325 6.184 6.833 1.00 0.00 N ATOM 0 H ARG A 45 -16.925 -0.112 4.983 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.956 2.524 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.696 0.963 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.088 1.606 6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.820 3.810 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.031 3.539 5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.083 1.988 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.275 3.222 8.560 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.490 3.701 6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.244 4.701 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.929 6.419 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.094 5.986 5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.283 7.141 7.182 1.00 0.00 H new ATOM 682 N SER A 46 -13.770 0.134 4.585 1.00 0.00 N ATOM 683 CA SER A 46 -12.325 -0.182 4.388 1.00 0.00 C ATOM 684 C SER A 46 -11.929 -0.041 2.913 1.00 0.00 C ATOM 685 O SER A 46 -10.875 0.470 2.605 1.00 0.00 O ATOM 686 CB SER A 46 -12.169 -1.634 4.848 1.00 0.00 C ATOM 687 OG SER A 46 -10.787 -1.933 5.008 1.00 0.00 O ATOM 0 H SER A 46 -14.362 -0.669 4.795 1.00 0.00 H new ATOM 0 HA SER A 46 -11.683 0.499 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.697 -1.788 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.616 -2.308 4.118 1.00 0.00 H new ATOM 0 HG SER A 46 -10.685 -2.862 5.304 1.00 0.00 H new ATOM 693 N CYS A 47 -12.759 -0.496 2.000 1.00 0.00 N ATOM 694 CA CYS A 47 -12.402 -0.396 0.547 1.00 0.00 C ATOM 695 C CYS A 47 -12.530 1.042 0.028 1.00 0.00 C ATOM 696 O CYS A 47 -11.836 1.428 -0.891 1.00 0.00 O ATOM 697 CB CYS A 47 -13.383 -1.307 -0.187 1.00 0.00 C ATOM 698 SG CYS A 47 -12.763 -1.594 -1.863 1.00 0.00 S ATOM 0 H CYS A 47 -13.661 -0.929 2.197 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.365 -0.691 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.490 -2.253 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.371 -0.848 -0.223 1.00 0.00 H new ATOM 703 N CYS A 48 -13.406 1.836 0.591 1.00 0.00 N ATOM 704 CA CYS A 48 -13.547 3.243 0.097 1.00 0.00 C ATOM 705 C CYS A 48 -12.212 3.986 0.241 1.00 0.00 C ATOM 706 O CYS A 48 -11.788 4.694 -0.650 1.00 0.00 O ATOM 707 CB CYS A 48 -14.618 3.879 0.984 1.00 0.00 C ATOM 708 SG CYS A 48 -14.843 5.617 0.525 1.00 0.00 S ATOM 0 H CYS A 48 -14.023 1.577 1.361 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.824 3.284 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.559 3.340 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.326 3.805 2.032 1.00 0.00 H new ATOM 713 N SER A 49 -11.544 3.818 1.355 1.00 0.00 N ATOM 714 CA SER A 49 -10.231 4.504 1.554 1.00 0.00 C ATOM 715 C SER A 49 -9.080 3.631 1.033 1.00 0.00 C ATOM 716 O SER A 49 -8.025 4.125 0.686 1.00 0.00 O ATOM 717 CB SER A 49 -10.109 4.704 3.064 1.00 0.00 C ATOM 718 OG SER A 49 -9.018 5.572 3.335 1.00 0.00 O ATOM 0 H SER A 49 -11.851 3.236 2.134 1.00 0.00 H new ATOM 0 HA SER A 49 -10.179 5.448 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.032 5.125 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.957 3.745 3.559 1.00 0.00 H new ATOM 0 HG SER A 49 -8.938 5.704 4.303 1.00 0.00 H new ATOM 724 N ARG A 50 -9.274 2.339 0.990 1.00 0.00 N ATOM 725 CA ARG A 50 -8.198 1.417 0.511 1.00 0.00 C ATOM 726 C ARG A 50 -8.131 1.392 -1.023 1.00 0.00 C ATOM 727 O ARG A 50 -7.067 1.251 -1.595 1.00 0.00 O ATOM 728 CB ARG A 50 -8.610 0.046 1.055 1.00 0.00 C ATOM 729 CG ARG A 50 -7.451 -0.949 0.955 1.00 0.00 C ATOM 730 CD ARG A 50 -7.321 -1.735 2.272 1.00 0.00 C ATOM 731 NE ARG A 50 -8.711 -2.153 2.639 1.00 0.00 N ATOM 732 CZ ARG A 50 -9.037 -3.419 2.652 1.00 0.00 C ATOM 733 NH1 ARG A 50 -8.737 -4.159 3.687 1.00 0.00 N ATOM 734 NH2 ARG A 50 -9.664 -3.942 1.632 1.00 0.00 N ATOM 0 H ARG A 50 -10.140 1.877 1.269 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.209 1.726 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.924 0.142 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.467 -0.330 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.621 -1.636 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.522 -0.419 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.672 -2.602 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.880 -1.117 3.054 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.407 -1.447 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.249 -3.749 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.991 -5.147 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.899 -3.363 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.919 -4.930 1.642 1.00 0.00 H new ATOM 748 N LEU A 51 -9.254 1.508 -1.695 1.00 0.00 N ATOM 749 CA LEU A 51 -9.239 1.467 -3.191 1.00 0.00 C ATOM 750 C LEU A 51 -10.227 2.469 -3.812 1.00 0.00 C ATOM 751 O LEU A 51 -10.487 2.419 -5.000 1.00 0.00 O ATOM 752 CB LEU A 51 -9.665 0.037 -3.534 1.00 0.00 C ATOM 753 CG LEU A 51 -8.428 -0.838 -3.749 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.729 -2.266 -3.290 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.061 -0.849 -5.234 1.00 0.00 C ATOM 0 H LEU A 51 -10.175 1.629 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.258 1.736 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.275 -0.373 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.281 0.038 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.595 -0.436 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.849 -2.890 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.991 -2.260 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.562 -2.666 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.180 -1.472 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.894 -1.250 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.847 0.168 -5.564 1.00 0.00 H new ATOM 767 N GLY A 52 -10.792 3.367 -3.036 1.00 0.00 N ATOM 768 CA GLY A 52 -11.769 4.343 -3.614 1.00 0.00 C ATOM 769 C GLY A 52 -12.961 3.576 -4.206 1.00 0.00 C ATOM 770 O GLY A 52 -13.541 3.981 -5.196 1.00 0.00 O ATOM 0 H GLY A 52 -10.619 3.465 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.112 5.032 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.288 4.943 -4.386 1.00 0.00 H new ATOM 774 N ARG A 53 -13.320 2.466 -3.605 1.00 0.00 N ATOM 775 CA ARG A 53 -14.465 1.660 -4.127 1.00 0.00 C ATOM 776 C ARG A 53 -15.514 1.466 -3.031 1.00 0.00 C ATOM 777 O ARG A 53 -15.186 1.307 -1.871 1.00 0.00 O ATOM 778 CB ARG A 53 -13.857 0.314 -4.530 1.00 0.00 C ATOM 779 CG ARG A 53 -13.314 0.400 -5.961 1.00 0.00 C ATOM 780 CD ARG A 53 -14.395 -0.047 -6.951 1.00 0.00 C ATOM 781 NE ARG A 53 -15.072 1.210 -7.384 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.660 1.841 -8.453 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.048 1.443 -9.636 1.00 0.00 N ATOM 784 NH2 ARG A 53 -13.862 2.870 -8.335 1.00 0.00 N ATOM 0 H ARG A 53 -12.867 2.085 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.963 2.147 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.055 0.046 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.610 -0.471 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.005 1.422 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.430 -0.230 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.958 -0.572 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.100 -0.732 -6.481 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.857 1.578 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.672 0.641 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.727 1.935 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.562 3.179 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.540 3.363 -9.167 1.00 0.00 H new ATOM 798 N CYS A 54 -16.772 1.498 -3.399 1.00 0.00 N ATOM 799 CA CYS A 54 -17.879 1.340 -2.401 1.00 0.00 C ATOM 800 C CYS A 54 -17.775 2.456 -1.363 1.00 0.00 C ATOM 801 O CYS A 54 -17.668 2.222 -0.173 1.00 0.00 O ATOM 802 CB CYS A 54 -17.691 -0.042 -1.754 1.00 0.00 C ATOM 803 SG CYS A 54 -18.592 -1.298 -2.704 1.00 0.00 S ATOM 0 H CYS A 54 -17.084 1.629 -4.361 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.865 1.407 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.631 -0.294 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.052 -0.024 -0.726 1.00 0.00 H new ATOM 808 N CYS A 55 -17.788 3.675 -1.827 1.00 0.00 N ATOM 809 CA CYS A 55 -17.670 4.841 -0.911 1.00 0.00 C ATOM 810 C CYS A 55 -19.056 5.394 -0.527 1.00 0.00 C ATOM 811 O CYS A 55 -19.171 6.204 0.374 1.00 0.00 O ATOM 812 CB CYS A 55 -16.869 5.870 -1.713 1.00 0.00 C ATOM 813 SG CYS A 55 -15.098 5.577 -1.478 1.00 0.00 S ATOM 0 H CYS A 55 -17.877 3.914 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.188 4.580 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.123 5.799 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.127 6.879 -1.390 1.00 0.00 H new ATOM 818 N HIS A 56 -20.105 4.964 -1.193 1.00 0.00 N ATOM 819 CA HIS A 56 -21.471 5.464 -0.857 1.00 0.00 C ATOM 820 C HIS A 56 -22.392 4.285 -0.501 1.00 0.00 C ATOM 821 O HIS A 56 -23.527 4.215 -0.937 1.00 0.00 O ATOM 822 CB HIS A 56 -21.948 6.170 -2.129 1.00 0.00 C ATOM 823 CG HIS A 56 -22.774 7.372 -1.761 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.221 8.638 -1.637 1.00 0.00 N ATOM 825 CD2 HIS A 56 -24.111 7.519 -1.488 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.214 9.482 -1.303 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.386 8.852 -1.198 1.00 0.00 N ATOM 0 H HIS A 56 -20.069 4.287 -1.955 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.476 6.133 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.092 6.475 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.537 5.484 -2.738 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -21.241 8.884 -1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.839 6.721 -1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.079 10.541 -1.140 1.00 0.00 H new ATOM 835 N VAL A 57 -21.903 3.359 0.288 1.00 0.00 N ATOM 836 CA VAL A 57 -22.735 2.174 0.678 1.00 0.00 C ATOM 837 C VAL A 57 -23.725 2.558 1.785 1.00 0.00 C ATOM 838 O VAL A 57 -23.335 2.869 2.896 1.00 0.00 O ATOM 839 CB VAL A 57 -21.740 1.123 1.192 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.479 -0.184 1.490 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.665 0.861 0.134 1.00 0.00 C ATOM 0 H VAL A 57 -20.962 3.372 0.680 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.322 1.799 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.271 1.496 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.770 -0.928 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.241 -0.006 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -22.953 -0.550 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -19.963 0.115 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.135 0.495 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.131 1.787 -0.079 1.00 0.00 H new ATOM 851 N GLY A 58 -25.002 2.528 1.492 1.00 0.00 N ATOM 852 CA GLY A 58 -26.022 2.882 2.527 1.00 0.00 C ATOM 853 C GLY A 58 -26.255 4.397 2.536 1.00 0.00 C ATOM 854 O GLY A 58 -25.327 5.175 2.663 1.00 0.00 O ATOM 0 H GLY A 58 -25.382 2.273 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.958 2.363 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.685 2.552 3.510 1.00 0.00 H new ATOM 858 N LYS A 59 -27.489 4.822 2.409 1.00 0.00 N ATOM 859 CA LYS A 59 -27.785 6.286 2.413 1.00 0.00 C ATOM 860 C LYS A 59 -27.970 6.782 3.853 1.00 0.00 C ATOM 861 O LYS A 59 -28.898 6.397 4.538 1.00 0.00 O ATOM 862 CB LYS A 59 -29.086 6.439 1.617 1.00 0.00 C ATOM 863 CG LYS A 59 -29.169 7.853 1.034 1.00 0.00 C ATOM 864 CD LYS A 59 -28.289 7.943 -0.217 1.00 0.00 C ATOM 865 CE LYS A 59 -28.246 9.393 -0.710 1.00 0.00 C ATOM 866 NZ LYS A 59 -27.339 9.377 -1.896 1.00 0.00 N ATOM 0 H LYS A 59 -28.303 4.217 2.303 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.976 6.871 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -29.122 5.702 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -29.944 6.250 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -30.202 8.094 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -28.842 8.583 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -27.281 7.595 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.683 7.294 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -29.241 9.747 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -27.870 10.061 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.380 10.298 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.364 9.192 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.640 8.630 -2.553 1.00 0.00 H new ATOM 880 N GLY A 60 -27.085 7.631 4.314 1.00 0.00 N ATOM 881 CA GLY A 60 -27.195 8.152 5.710 1.00 0.00 C ATOM 882 C GLY A 60 -26.417 7.238 6.664 1.00 0.00 C ATOM 883 O GLY A 60 -25.824 6.257 6.253 1.00 0.00 O ATOM 0 H GLY A 60 -26.290 7.986 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -26.802 9.167 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -28.242 8.200 6.009 1.00 0.00 H new ATOM 887 N TYR A 61 -26.416 7.555 7.935 1.00 0.00 N ATOM 888 CA TYR A 61 -25.677 6.708 8.921 1.00 0.00 C ATOM 889 C TYR A 61 -26.498 5.464 9.281 1.00 0.00 C ATOM 890 O TYR A 61 -27.691 5.405 9.048 1.00 0.00 O ATOM 891 CB TYR A 61 -25.479 7.598 10.152 1.00 0.00 C ATOM 892 CG TYR A 61 -24.311 7.089 10.965 1.00 0.00 C ATOM 893 CD1 TYR A 61 -23.011 7.173 10.450 1.00 0.00 C ATOM 894 CD2 TYR A 61 -24.528 6.534 12.231 1.00 0.00 C ATOM 895 CE1 TYR A 61 -21.929 6.701 11.203 1.00 0.00 C ATOM 896 CE2 TYR A 61 -23.445 6.064 12.984 1.00 0.00 C ATOM 897 CZ TYR A 61 -22.145 6.147 12.468 1.00 0.00 C ATOM 898 OH TYR A 61 -21.075 5.684 13.210 1.00 0.00 O ATOM 0 H TYR A 61 -26.895 8.363 8.332 1.00 0.00 H new ATOM 0 HA TYR A 61 -24.727 6.353 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -25.299 8.628 9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -26.384 7.601 10.760 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -22.843 7.601 9.473 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -25.531 6.468 12.627 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -20.927 6.765 10.806 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -23.612 5.638 13.962 1.00 0.00 H new ATOM 0 HH TYR A 61 -21.398 5.331 14.065 1.00 0.00 H new ATOM 908 N SER A 62 -25.862 4.474 9.852 1.00 0.00 N ATOM 909 CA SER A 62 -26.588 3.226 10.236 1.00 0.00 C ATOM 910 C SER A 62 -27.359 3.436 11.545 1.00 0.00 C ATOM 911 O SER A 62 -27.158 4.413 12.245 1.00 0.00 O ATOM 912 CB SER A 62 -25.500 2.165 10.421 1.00 0.00 C ATOM 913 OG SER A 62 -24.676 2.121 9.261 1.00 0.00 O ATOM 0 H SER A 62 -24.866 4.476 10.070 1.00 0.00 H new ATOM 0 HA SER A 62 -27.318 2.932 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 62 -24.897 2.396 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 62 -25.954 1.190 10.594 1.00 0.00 H new ATOM 0 HG SER A 62 -23.867 2.652 9.414 1.00 0.00 H new ATOM 919 N GLY A 63 -28.237 2.524 11.877 1.00 0.00 N ATOM 920 CA GLY A 63 -29.026 2.657 13.136 1.00 0.00 C ATOM 921 C GLY A 63 -30.516 2.740 12.799 1.00 0.00 C ATOM 922 O GLY A 63 -31.199 1.745 12.978 1.00 0.00 O ATOM 923 OXT GLY A 63 -30.947 3.796 12.368 1.00 0.00 O ATOM 0 H GLY A 63 -28.441 1.690 11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -28.837 1.804 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -28.715 3.549 13.680 1.00 0.00 H new TER 927 GLY A 63