USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 720 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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.128 X(o=-0.11,f=0.061) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0.015 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0691 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.732 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0191 K(o=-0.019,f=-0.6) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0693) USER MOD Single : A 25 MET CE :methyl -157:sc= -0.361 (180deg=-1.24) USER MOD Single : A 27 THR OG1 : rot -121:sc= 0.763 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -6.52! C(o=-6.5!,f=-7!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -9.66! C(o=-9.7!,f=-7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.219) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 65 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.0035) USER MOD Single : A 72 GLN : amide:sc= 0.87 K(o=0.87,f=-0.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.578 K(o=0.58,f=-1.8!) USER MOD Single : A 84 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.04 K(o=-1,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.656 14.528 -32.135 1.00 0.00 N ATOM 2 CA GLY A 1 -16.413 14.381 -30.906 1.00 0.00 C ATOM 3 C GLY A 1 -15.833 13.320 -29.991 1.00 0.00 C ATOM 4 O GLY A 1 -14.767 12.770 -30.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.253 15.485 -32.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.888 13.827 -32.155 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.284 14.377 -32.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.436 15.336 -30.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.445 14.124 -31.147 1.00 0.00 H new ATOM 8 N SER A 2 -16.536 13.033 -28.900 1.00 0.00 N ATOM 9 CA SER A 2 -16.082 12.034 -27.940 1.00 0.00 C ATOM 10 C SER A 2 -16.469 10.629 -28.392 1.00 0.00 C ATOM 11 O SER A 2 -17.554 10.140 -28.077 1.00 0.00 O ATOM 12 CB SER A 2 -16.675 12.319 -26.558 1.00 0.00 C ATOM 13 OG SER A 2 -18.091 12.338 -26.605 1.00 0.00 O ATOM 0 H SER A 2 -17.422 13.478 -28.659 1.00 0.00 H new ATOM 0 HA SER A 2 -14.995 12.090 -27.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.342 11.559 -25.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.307 13.277 -26.192 1.00 0.00 H new ATOM 0 HG SER A 2 -18.410 11.589 -27.150 1.00 0.00 H new ATOM 19 N SER A 3 -15.573 9.986 -29.133 1.00 0.00 N ATOM 20 CA SER A 3 -15.821 8.638 -29.633 1.00 0.00 C ATOM 21 C SER A 3 -15.888 7.637 -28.485 1.00 0.00 C ATOM 22 O SER A 3 -16.849 6.877 -28.364 1.00 0.00 O ATOM 23 CB SER A 3 -14.725 8.228 -30.619 1.00 0.00 C ATOM 24 OG SER A 3 -14.940 6.913 -31.102 1.00 0.00 O ATOM 0 H SER A 3 -14.669 10.376 -29.401 1.00 0.00 H new ATOM 0 HA SER A 3 -16.782 8.639 -30.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.703 8.927 -31.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.752 8.285 -30.131 1.00 0.00 H new ATOM 0 HG SER A 3 -14.227 6.675 -31.731 1.00 0.00 H new ATOM 30 N GLY A 4 -14.860 7.641 -27.642 1.00 0.00 N ATOM 31 CA GLY A 4 -14.820 6.729 -26.514 1.00 0.00 C ATOM 32 C GLY A 4 -13.405 6.368 -26.109 1.00 0.00 C ATOM 33 O GLY A 4 -12.467 6.540 -26.887 1.00 0.00 O ATOM 0 H GLY A 4 -14.053 8.260 -27.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.333 7.183 -25.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.365 5.820 -26.767 1.00 0.00 H new ATOM 37 N SER A 5 -13.250 5.866 -24.888 1.00 0.00 N ATOM 38 CA SER A 5 -11.938 5.485 -24.379 1.00 0.00 C ATOM 39 C SER A 5 -12.011 4.158 -23.630 1.00 0.00 C ATOM 40 O SER A 5 -13.092 3.697 -23.265 1.00 0.00 O ATOM 41 CB SER A 5 -11.388 6.575 -23.457 1.00 0.00 C ATOM 42 OG SER A 5 -9.986 6.449 -23.298 1.00 0.00 O ATOM 0 H SER A 5 -14.017 5.714 -24.233 1.00 0.00 H new ATOM 0 HA SER A 5 -11.266 5.366 -25.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.624 7.557 -23.868 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.875 6.512 -22.484 1.00 0.00 H new ATOM 0 HG SER A 5 -9.659 7.158 -22.706 1.00 0.00 H new ATOM 48 N SER A 6 -10.851 3.549 -23.403 1.00 0.00 N ATOM 49 CA SER A 6 -10.782 2.274 -22.700 1.00 0.00 C ATOM 50 C SER A 6 -10.032 2.421 -21.380 1.00 0.00 C ATOM 51 O SER A 6 -8.839 2.721 -21.361 1.00 0.00 O ATOM 52 CB SER A 6 -10.097 1.222 -23.575 1.00 0.00 C ATOM 53 OG SER A 6 -10.371 -0.087 -23.107 1.00 0.00 O ATOM 0 H SER A 6 -9.947 3.919 -23.696 1.00 0.00 H new ATOM 0 HA SER A 6 -11.800 1.950 -22.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.439 1.322 -24.605 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.020 1.392 -23.579 1.00 0.00 H new ATOM 0 HG SER A 6 -9.924 -0.741 -23.684 1.00 0.00 H new ATOM 59 N GLY A 7 -10.741 2.206 -20.276 1.00 0.00 N ATOM 60 CA GLY A 7 -10.127 2.319 -18.966 1.00 0.00 C ATOM 61 C GLY A 7 -10.518 1.182 -18.042 1.00 0.00 C ATOM 62 O GLY A 7 -11.511 1.272 -17.322 1.00 0.00 O ATOM 0 H GLY A 7 -11.730 1.956 -20.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.043 2.337 -19.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.417 3.267 -18.513 1.00 0.00 H new ATOM 66 N ASN A 8 -9.735 0.108 -18.065 1.00 0.00 N ATOM 67 CA ASN A 8 -10.006 -1.053 -17.225 1.00 0.00 C ATOM 68 C ASN A 8 -9.194 -0.992 -15.935 1.00 0.00 C ATOM 69 O ASN A 8 -8.049 -0.543 -15.931 1.00 0.00 O ATOM 70 CB ASN A 8 -9.685 -2.343 -17.982 1.00 0.00 C ATOM 71 CG ASN A 8 -10.340 -3.559 -17.357 1.00 0.00 C ATOM 72 OD1 ASN A 8 -11.507 -3.517 -16.967 1.00 0.00 O ATOM 73 ND2 ASN A 8 -9.591 -4.651 -17.260 1.00 0.00 N ATOM 0 H ASN A 8 -8.908 0.018 -18.656 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.065 -1.045 -16.968 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.017 -2.246 -19.016 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.605 -2.488 -18.006 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.978 -5.500 -16.849 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.628 -4.641 -17.596 1.00 0.00 H new ATOM 80 N ALA A 9 -9.796 -1.449 -14.841 1.00 0.00 N ATOM 81 CA ALA A 9 -9.129 -1.449 -13.545 1.00 0.00 C ATOM 82 C ALA A 9 -8.126 -2.593 -13.444 1.00 0.00 C ATOM 83 O ALA A 9 -8.396 -3.707 -13.892 1.00 0.00 O ATOM 84 CB ALA A 9 -10.153 -1.541 -12.424 1.00 0.00 C ATOM 0 H ALA A 9 -10.745 -1.824 -14.827 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.582 -0.511 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.640 -1.540 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.828 -0.687 -12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.726 -2.462 -12.529 1.00 0.00 H new ATOM 90 N GLN A 10 -6.970 -2.310 -12.854 1.00 0.00 N ATOM 91 CA GLN A 10 -5.927 -3.317 -12.696 1.00 0.00 C ATOM 92 C GLN A 10 -5.218 -3.161 -11.354 1.00 0.00 C ATOM 93 O GLN A 10 -4.469 -2.207 -11.144 1.00 0.00 O ATOM 94 CB GLN A 10 -4.913 -3.215 -13.836 1.00 0.00 C ATOM 95 CG GLN A 10 -3.785 -4.230 -13.741 1.00 0.00 C ATOM 96 CD GLN A 10 -2.700 -3.996 -14.774 1.00 0.00 C ATOM 97 OE1 GLN A 10 -2.801 -3.091 -15.602 1.00 0.00 O ATOM 98 NE2 GLN A 10 -1.655 -4.813 -14.730 1.00 0.00 N ATOM 0 H GLN A 10 -6.732 -1.393 -12.478 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.399 -4.299 -12.725 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.432 -3.349 -14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.488 -2.211 -13.844 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.347 -4.188 -12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.192 -5.233 -13.868 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.613 -5.550 -14.026 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.894 -4.704 -15.400 1.00 0.00 H new ATOM 107 N ARG A 11 -5.460 -4.104 -10.449 1.00 0.00 N ATOM 108 CA ARG A 11 -4.846 -4.069 -9.127 1.00 0.00 C ATOM 109 C ARG A 11 -4.251 -5.428 -8.770 1.00 0.00 C ATOM 110 O ARG A 11 -4.827 -6.471 -9.078 1.00 0.00 O ATOM 111 CB ARG A 11 -5.877 -3.659 -8.074 1.00 0.00 C ATOM 112 CG ARG A 11 -6.962 -4.698 -7.846 1.00 0.00 C ATOM 113 CD ARG A 11 -8.173 -4.096 -7.150 1.00 0.00 C ATOM 114 NE ARG A 11 -9.387 -4.868 -7.399 1.00 0.00 N ATOM 115 CZ ARG A 11 -10.064 -4.827 -8.541 1.00 0.00 C ATOM 116 NH1 ARG A 11 -9.646 -4.055 -9.535 1.00 0.00 N ATOM 117 NH2 ARG A 11 -11.160 -5.559 -8.691 1.00 0.00 N ATOM 0 H ARG A 11 -6.077 -4.901 -10.607 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.043 -3.332 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.364 -3.469 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.342 -2.722 -8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.265 -5.125 -8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.564 -5.515 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.988 -4.048 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.317 -3.072 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.735 -5.472 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.803 -3.491 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.167 -4.025 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.484 -6.154 -7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.679 -5.526 -9.569 1.00 0.00 H new ATOM 131 N SER A 12 -3.093 -5.407 -8.117 1.00 0.00 N ATOM 132 CA SER A 12 -2.416 -6.637 -7.721 1.00 0.00 C ATOM 133 C SER A 12 -2.537 -6.863 -6.217 1.00 0.00 C ATOM 134 O SER A 12 -1.776 -6.301 -5.429 1.00 0.00 O ATOM 135 CB SER A 12 -0.941 -6.585 -8.123 1.00 0.00 C ATOM 136 OG SER A 12 -0.302 -7.826 -7.879 1.00 0.00 O ATOM 0 H SER A 12 -2.604 -4.552 -7.851 1.00 0.00 H new ATOM 0 HA SER A 12 -2.896 -7.469 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.858 -6.331 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.436 -5.797 -7.565 1.00 0.00 H new ATOM 0 HG SER A 12 0.639 -7.767 -8.146 1.00 0.00 H new ATOM 142 N THR A 13 -3.500 -7.692 -5.825 1.00 0.00 N ATOM 143 CA THR A 13 -3.723 -7.992 -4.417 1.00 0.00 C ATOM 144 C THR A 13 -2.545 -8.757 -3.824 1.00 0.00 C ATOM 145 O THR A 13 -2.422 -8.882 -2.605 1.00 0.00 O ATOM 146 CB THR A 13 -5.009 -8.817 -4.215 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.719 -10.214 -4.341 1.00 0.00 O ATOM 148 CG2 THR A 13 -6.071 -8.421 -5.230 1.00 0.00 C ATOM 0 H THR A 13 -4.138 -8.167 -6.464 1.00 0.00 H new ATOM 0 HA THR A 13 -3.828 -7.036 -3.904 1.00 0.00 H new ATOM 0 HB THR A 13 -5.392 -8.614 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.541 -10.732 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.969 -9.017 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.310 -7.364 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.695 -8.598 -6.238 1.00 0.00 H new ATOM 156 N LEU A 14 -1.679 -9.265 -4.694 1.00 0.00 N ATOM 157 CA LEU A 14 -0.508 -10.017 -4.256 1.00 0.00 C ATOM 158 C LEU A 14 0.572 -9.082 -3.721 1.00 0.00 C ATOM 159 O LEU A 14 1.506 -9.515 -3.047 1.00 0.00 O ATOM 160 CB LEU A 14 0.050 -10.849 -5.412 1.00 0.00 C ATOM 161 CG LEU A 14 -0.945 -11.773 -6.116 1.00 0.00 C ATOM 162 CD1 LEU A 14 -0.290 -12.457 -7.306 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.497 -12.804 -5.142 1.00 0.00 C ATOM 0 H LEU A 14 -1.765 -9.170 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.816 -10.684 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.470 -10.169 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.873 -11.455 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.775 -11.169 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.014 -13.110 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.054 -11.704 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.559 -13.048 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.203 -13.453 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.678 -13.404 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.005 -12.295 -4.323 1.00 0.00 H new ATOM 175 N LYS A 15 0.436 -7.795 -4.024 1.00 0.00 N ATOM 176 CA LYS A 15 1.396 -6.796 -3.572 1.00 0.00 C ATOM 177 C LYS A 15 0.755 -5.839 -2.572 1.00 0.00 C ATOM 178 O LYS A 15 1.164 -4.683 -2.456 1.00 0.00 O ATOM 179 CB LYS A 15 1.948 -6.012 -4.764 1.00 0.00 C ATOM 180 CG LYS A 15 3.059 -5.045 -4.395 1.00 0.00 C ATOM 181 CD LYS A 15 4.012 -4.820 -5.557 1.00 0.00 C ATOM 182 CE LYS A 15 3.538 -3.688 -6.455 1.00 0.00 C ATOM 183 NZ LYS A 15 4.333 -3.607 -7.712 1.00 0.00 N ATOM 0 H LYS A 15 -0.331 -7.420 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 15 2.216 -7.315 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.322 -6.715 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.135 -5.456 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.627 -4.093 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.612 -5.434 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.006 -4.590 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.099 -5.737 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.486 -3.835 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.612 -2.743 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.979 -2.823 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.333 -3.442 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.243 -4.500 -8.238 1.00 0.00 H new ATOM 197 N TRP A 16 -0.249 -6.327 -1.853 1.00 0.00 N ATOM 198 CA TRP A 16 -0.945 -5.514 -0.862 1.00 0.00 C ATOM 199 C TRP A 16 -0.702 -6.046 0.546 1.00 0.00 C ATOM 200 O TRP A 16 -0.536 -5.274 1.490 1.00 0.00 O ATOM 201 CB TRP A 16 -2.445 -5.485 -1.158 1.00 0.00 C ATOM 202 CG TRP A 16 -2.811 -4.559 -2.279 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.987 -4.101 -3.266 1.00 0.00 C ATOM 204 CD2 TRP A 16 -4.096 -3.978 -2.525 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.682 -3.269 -4.111 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.978 -3.179 -3.679 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.336 -4.057 -1.884 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -5.053 -2.464 -4.202 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.401 -3.347 -2.405 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.254 -2.560 -3.554 1.00 0.00 C ATOM 0 H TRP A 16 -0.599 -7.281 -1.937 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.551 -4.499 -0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.779 -6.493 -1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.980 -5.183 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.942 -4.355 -3.368 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.295 -2.796 -4.927 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.459 -4.662 -0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.942 -1.856 -5.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.363 -3.400 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.106 -2.018 -3.936 1.00 0.00 H new ATOM 221 N GLU A 17 -0.683 -7.368 0.679 1.00 0.00 N ATOM 222 CA GLU A 17 -0.461 -8.002 1.974 1.00 0.00 C ATOM 223 C GLU A 17 0.892 -7.598 2.553 1.00 0.00 C ATOM 224 O GLU A 17 1.079 -7.578 3.770 1.00 0.00 O ATOM 225 CB GLU A 17 -0.537 -9.524 1.842 1.00 0.00 C ATOM 226 CG GLU A 17 -0.190 -10.265 3.122 1.00 0.00 C ATOM 227 CD GLU A 17 -1.205 -10.033 4.224 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.320 -8.880 4.691 1.00 0.00 O ATOM 229 OE2 GLU A 17 -1.885 -11.003 4.619 1.00 0.00 O ATOM 0 H GLU A 17 -0.818 -8.021 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.243 -7.664 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.544 -9.803 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.140 -9.846 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.124 -11.333 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.794 -9.946 3.466 1.00 0.00 H new ATOM 236 N LYS A 18 1.833 -7.276 1.672 1.00 0.00 N ATOM 237 CA LYS A 18 3.169 -6.871 2.093 1.00 0.00 C ATOM 238 C LYS A 18 3.187 -5.404 2.511 1.00 0.00 C ATOM 239 O LYS A 18 3.617 -5.070 3.615 1.00 0.00 O ATOM 240 CB LYS A 18 4.174 -7.102 0.962 1.00 0.00 C ATOM 241 CG LYS A 18 4.454 -8.569 0.688 1.00 0.00 C ATOM 242 CD LYS A 18 5.422 -8.745 -0.470 1.00 0.00 C ATOM 243 CE LYS A 18 6.850 -8.428 -0.056 1.00 0.00 C ATOM 244 NZ LYS A 18 7.431 -9.500 0.799 1.00 0.00 N ATOM 0 H LYS A 18 1.695 -7.288 0.661 1.00 0.00 H new ATOM 0 HA LYS A 18 3.452 -7.479 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.797 -6.636 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.110 -6.602 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.867 -9.035 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.519 -9.083 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.368 -9.769 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.128 -8.094 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.466 -8.300 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.870 -7.482 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.453 -9.343 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.978 -9.481 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.268 -10.426 0.354 1.00 0.00 H new ATOM 258 N GLU A 19 2.716 -4.534 1.623 1.00 0.00 N ATOM 259 CA GLU A 19 2.678 -3.104 1.902 1.00 0.00 C ATOM 260 C GLU A 19 1.787 -2.808 3.105 1.00 0.00 C ATOM 261 O GLU A 19 1.926 -1.771 3.753 1.00 0.00 O ATOM 262 CB GLU A 19 2.173 -2.336 0.679 1.00 0.00 C ATOM 263 CG GLU A 19 3.060 -2.490 -0.545 1.00 0.00 C ATOM 264 CD GLU A 19 4.515 -2.724 -0.185 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.879 -3.888 0.082 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.288 -1.744 -0.171 1.00 0.00 O ATOM 0 H GLU A 19 2.356 -4.795 0.705 1.00 0.00 H new ATOM 0 HA GLU A 19 3.692 -2.778 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.168 -2.679 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.096 -1.278 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.700 -3.324 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.981 -1.594 -1.161 1.00 0.00 H new ATOM 273 N GLU A 20 0.871 -3.726 3.396 1.00 0.00 N ATOM 274 CA GLU A 20 -0.044 -3.562 4.520 1.00 0.00 C ATOM 275 C GLU A 20 0.722 -3.481 5.837 1.00 0.00 C ATOM 276 O GLU A 20 0.308 -2.788 6.766 1.00 0.00 O ATOM 277 CB GLU A 20 -1.041 -4.722 4.568 1.00 0.00 C ATOM 278 CG GLU A 20 -2.319 -4.459 3.789 1.00 0.00 C ATOM 279 CD GLU A 20 -3.395 -3.810 4.636 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.838 -4.441 5.618 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.795 -2.671 4.317 1.00 0.00 O ATOM 0 H GLU A 20 0.743 -4.590 2.870 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.590 -2.629 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.562 -5.618 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.295 -4.929 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.095 -3.816 2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.696 -5.400 3.388 1.00 0.00 H new ATOM 288 N ALA A 21 1.841 -4.194 5.910 1.00 0.00 N ATOM 289 CA ALA A 21 2.666 -4.201 7.111 1.00 0.00 C ATOM 290 C ALA A 21 3.426 -2.888 7.263 1.00 0.00 C ATOM 291 O ALA A 21 3.706 -2.446 8.379 1.00 0.00 O ATOM 292 CB ALA A 21 3.635 -5.374 7.079 1.00 0.00 C ATOM 0 H ALA A 21 2.197 -4.775 5.151 1.00 0.00 H new ATOM 0 HA ALA A 21 2.008 -4.311 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.245 -5.367 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.075 -6.308 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.280 -5.289 6.205 1.00 0.00 H new ATOM 298 N LEU A 22 3.759 -2.269 6.136 1.00 0.00 N ATOM 299 CA LEU A 22 4.489 -1.005 6.144 1.00 0.00 C ATOM 300 C LEU A 22 3.578 0.147 6.557 1.00 0.00 C ATOM 301 O LEU A 22 4.048 1.231 6.898 1.00 0.00 O ATOM 302 CB LEU A 22 5.085 -0.729 4.763 1.00 0.00 C ATOM 303 CG LEU A 22 5.918 -1.858 4.153 1.00 0.00 C ATOM 304 CD1 LEU A 22 6.068 -1.660 2.653 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.282 -1.935 4.822 1.00 0.00 C ATOM 0 H LEU A 22 3.536 -2.621 5.205 1.00 0.00 H new ATOM 0 HA LEU A 22 5.296 -1.084 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.270 -0.495 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.710 0.161 4.831 1.00 0.00 H new ATOM 0 HG LEU A 22 5.398 -2.801 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.663 -2.472 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.083 -1.656 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.565 -0.710 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.861 -2.743 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.809 -0.991 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.154 -2.126 5.888 1.00 0.00 H new ATOM 317 N GLY A 23 2.272 -0.098 6.526 1.00 0.00 N ATOM 318 CA GLY A 23 1.316 0.928 6.901 1.00 0.00 C ATOM 319 C GLY A 23 1.524 2.221 6.138 1.00 0.00 C ATOM 320 O GLY A 23 1.372 2.260 4.918 1.00 0.00 O ATOM 0 H GLY A 23 1.859 -0.988 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.305 0.562 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.398 1.123 7.970 1.00 0.00 H new ATOM 324 N GLU A 24 1.871 3.283 6.859 1.00 0.00 N ATOM 325 CA GLU A 24 2.097 4.584 6.242 1.00 0.00 C ATOM 326 C GLU A 24 3.229 4.513 5.221 1.00 0.00 C ATOM 327 O GLU A 24 3.403 5.419 4.407 1.00 0.00 O ATOM 328 CB GLU A 24 2.424 5.630 7.309 1.00 0.00 C ATOM 329 CG GLU A 24 1.325 5.808 8.344 1.00 0.00 C ATOM 330 CD GLU A 24 1.857 6.271 9.686 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.037 7.495 9.862 1.00 0.00 O ATOM 332 OE2 GLU A 24 2.093 5.411 10.560 1.00 0.00 O ATOM 0 H GLU A 24 2.002 3.267 7.870 1.00 0.00 H new ATOM 0 HA GLU A 24 1.182 4.876 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.346 5.344 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.612 6.587 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.598 6.532 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.796 4.864 8.473 1.00 0.00 H new ATOM 339 N MET A 25 3.996 3.428 5.272 1.00 0.00 N ATOM 340 CA MET A 25 5.111 3.238 4.351 1.00 0.00 C ATOM 341 C MET A 25 4.675 2.438 3.128 1.00 0.00 C ATOM 342 O MET A 25 5.482 2.148 2.245 1.00 0.00 O ATOM 343 CB MET A 25 6.266 2.525 5.057 1.00 0.00 C ATOM 344 CG MET A 25 7.259 3.474 5.708 1.00 0.00 C ATOM 345 SD MET A 25 8.135 4.494 4.507 1.00 0.00 S ATOM 346 CE MET A 25 8.708 3.246 3.356 1.00 0.00 C ATOM 0 H MET A 25 3.866 2.668 5.940 1.00 0.00 H new ATOM 0 HA MET A 25 5.448 4.220 4.019 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.860 1.859 5.818 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.792 1.901 4.335 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.732 4.119 6.411 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.982 2.897 6.285 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.572 3.624 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.990 2.347 3.904 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.911 3.007 2.652 1.00 0.00 H new ATOM 356 N ALA A 26 3.395 2.084 3.083 1.00 0.00 N ATOM 357 CA ALA A 26 2.853 1.319 1.966 1.00 0.00 C ATOM 358 C ALA A 26 3.254 1.937 0.631 1.00 0.00 C ATOM 359 O ALA A 26 3.012 3.119 0.384 1.00 0.00 O ATOM 360 CB ALA A 26 1.338 1.230 2.075 1.00 0.00 C ATOM 0 H ALA A 26 2.714 2.314 3.807 1.00 0.00 H new ATOM 0 HA ALA A 26 3.270 0.313 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.946 0.656 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.069 0.736 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.913 2.233 2.059 1.00 0.00 H new ATOM 366 N THR A 27 3.870 1.131 -0.228 1.00 0.00 N ATOM 367 CA THR A 27 4.307 1.598 -1.537 1.00 0.00 C ATOM 368 C THR A 27 3.149 1.614 -2.529 1.00 0.00 C ATOM 369 O THR A 27 3.342 1.864 -3.719 1.00 0.00 O ATOM 370 CB THR A 27 5.438 0.718 -2.100 1.00 0.00 C ATOM 371 OG1 THR A 27 4.947 -0.601 -2.366 1.00 0.00 O ATOM 372 CG2 THR A 27 6.602 0.643 -1.123 1.00 0.00 C ATOM 0 H THR A 27 4.078 0.150 -0.040 1.00 0.00 H new ATOM 0 HA THR A 27 4.681 2.613 -1.401 1.00 0.00 H new ATOM 0 HB THR A 27 5.791 1.168 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.461 -1.253 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.389 0.016 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.993 1.645 -0.945 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.259 0.214 -0.181 1.00 0.00 H new ATOM 380 N VAL A 28 1.946 1.346 -2.032 1.00 0.00 N ATOM 381 CA VAL A 28 0.757 1.331 -2.875 1.00 0.00 C ATOM 382 C VAL A 28 -0.135 2.534 -2.590 1.00 0.00 C ATOM 383 O VAL A 28 -0.045 3.148 -1.527 1.00 0.00 O ATOM 384 CB VAL A 28 -0.060 0.041 -2.671 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.775 -0.347 -3.956 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.839 -1.088 -2.189 1.00 0.00 C ATOM 0 H VAL A 28 1.769 1.136 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 28 1.102 1.375 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.814 0.226 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.347 -1.260 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.450 0.455 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.041 -0.515 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.245 -1.992 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.617 -1.275 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.300 -0.807 -1.242 1.00 0.00 H new ATOM 396 N ALA A 29 -0.995 2.867 -3.546 1.00 0.00 N ATOM 397 CA ALA A 29 -1.905 3.996 -3.397 1.00 0.00 C ATOM 398 C ALA A 29 -3.021 3.674 -2.408 1.00 0.00 C ATOM 399 O ALA A 29 -3.190 4.341 -1.388 1.00 0.00 O ATOM 400 CB ALA A 29 -2.489 4.385 -4.747 1.00 0.00 C ATOM 0 H ALA A 29 -1.081 2.371 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.338 4.839 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.167 5.229 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.683 4.665 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.036 3.540 -5.164 1.00 0.00 H new ATOM 406 N PRO A 30 -3.802 2.628 -2.716 1.00 0.00 N ATOM 407 CA PRO A 30 -4.916 2.195 -1.867 1.00 0.00 C ATOM 408 C PRO A 30 -4.439 1.578 -0.556 1.00 0.00 C ATOM 409 O PRO A 30 -4.893 1.961 0.522 1.00 0.00 O ATOM 410 CB PRO A 30 -5.628 1.145 -2.724 1.00 0.00 C ATOM 411 CG PRO A 30 -4.574 0.627 -3.642 1.00 0.00 C ATOM 412 CD PRO A 30 -3.658 1.788 -3.917 1.00 0.00 C ATOM 0 HA PRO A 30 -5.553 3.029 -1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.044 0.347 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.457 1.583 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.030 -0.200 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.012 0.248 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.627 1.462 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.949 2.325 -4.820 1.00 0.00 H new ATOM 420 N VAL A 31 -3.521 0.622 -0.656 1.00 0.00 N ATOM 421 CA VAL A 31 -2.982 -0.046 0.522 1.00 0.00 C ATOM 422 C VAL A 31 -2.398 0.961 1.506 1.00 0.00 C ATOM 423 O VAL A 31 -2.227 0.663 2.689 1.00 0.00 O ATOM 424 CB VAL A 31 -1.892 -1.065 0.140 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.615 -2.011 1.298 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.300 -1.839 -1.105 1.00 0.00 C ATOM 0 H VAL A 31 -3.135 0.293 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.811 -0.572 0.994 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.973 -0.522 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.842 -2.723 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.276 -1.439 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.527 -2.549 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.519 -2.555 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.231 -2.372 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.443 -1.146 -1.934 1.00 0.00 H new ATOM 436 N LEU A 32 -2.094 2.156 1.011 1.00 0.00 N ATOM 437 CA LEU A 32 -1.529 3.209 1.847 1.00 0.00 C ATOM 438 C LEU A 32 -2.630 4.073 2.453 1.00 0.00 C ATOM 439 O LEU A 32 -2.642 4.325 3.658 1.00 0.00 O ATOM 440 CB LEU A 32 -0.574 4.080 1.028 1.00 0.00 C ATOM 441 CG LEU A 32 -0.198 5.428 1.645 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.394 5.233 3.032 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.778 6.173 0.746 1.00 0.00 C ATOM 0 H LEU A 32 -2.229 2.420 0.035 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.975 2.737 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.342 3.515 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.026 4.263 0.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.103 6.028 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.656 6.203 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.337 4.742 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.289 4.614 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.034 7.130 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.682 5.578 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.317 6.346 -0.227 1.00 0.00 H new ATOM 455 N TYR A 33 -3.554 4.521 1.611 1.00 0.00 N ATOM 456 CA TYR A 33 -4.660 5.357 2.063 1.00 0.00 C ATOM 457 C TYR A 33 -5.320 4.762 3.303 1.00 0.00 C ATOM 458 O TYR A 33 -5.415 5.413 4.344 1.00 0.00 O ATOM 459 CB TYR A 33 -5.695 5.517 0.948 1.00 0.00 C ATOM 460 CG TYR A 33 -7.039 6.010 1.436 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.978 5.127 1.954 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.368 7.359 1.379 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.207 5.573 2.400 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.594 7.814 1.824 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.511 6.917 2.333 1.00 0.00 C ATOM 466 OH TYR A 33 -10.733 7.365 2.778 1.00 0.00 O ATOM 0 H TYR A 33 -3.559 4.319 0.611 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.260 6.337 2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.310 6.214 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.829 4.558 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.743 4.074 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.653 8.063 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.926 4.873 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.834 8.866 1.774 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.787 8.337 2.662 1.00 0.00 H new ATOM 476 N THR A 34 -5.775 3.518 3.185 1.00 0.00 N ATOM 477 CA THR A 34 -6.427 2.834 4.294 1.00 0.00 C ATOM 478 C THR A 34 -5.509 2.760 5.510 1.00 0.00 C ATOM 479 O THR A 34 -5.907 3.107 6.621 1.00 0.00 O ATOM 480 CB THR A 34 -6.855 1.408 3.901 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.761 0.721 3.283 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.041 1.442 2.950 1.00 0.00 C ATOM 0 H THR A 34 -5.704 2.964 2.332 1.00 0.00 H new ATOM 0 HA THR A 34 -7.314 3.415 4.546 1.00 0.00 H new ATOM 0 HB THR A 34 -7.151 0.879 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.833 -0.239 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.325 0.423 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.881 1.940 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.768 1.988 2.047 1.00 0.00 H new ATOM 490 N ASN A 35 -4.280 2.306 5.290 1.00 0.00 N ATOM 491 CA ASN A 35 -3.305 2.187 6.369 1.00 0.00 C ATOM 492 C ASN A 35 -3.347 3.411 7.278 1.00 0.00 C ATOM 493 O ASN A 35 -3.144 3.306 8.488 1.00 0.00 O ATOM 494 CB ASN A 35 -1.897 2.012 5.796 1.00 0.00 C ATOM 495 CG ASN A 35 -1.628 0.588 5.349 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.395 -0.326 5.654 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.534 0.393 4.621 1.00 0.00 N ATOM 0 H ASN A 35 -3.935 2.015 4.375 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.561 1.308 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.766 2.687 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.163 2.298 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.301 -0.544 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.073 1.180 4.392 1.00 0.00 H new ATOM 504 N ILE A 36 -3.613 4.571 6.687 1.00 0.00 N ATOM 505 CA ILE A 36 -3.683 5.815 7.444 1.00 0.00 C ATOM 506 C ILE A 36 -5.112 6.106 7.890 1.00 0.00 C ATOM 507 O ILE A 36 -5.402 6.152 9.085 1.00 0.00 O ATOM 508 CB ILE A 36 -3.163 7.007 6.618 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.692 6.797 6.252 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.342 8.305 7.391 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.260 7.566 5.023 1.00 0.00 C ATOM 0 H ILE A 36 -3.784 4.675 5.687 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.049 5.687 8.321 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.742 7.073 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.070 7.096 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.515 5.734 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.970 9.138 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.400 8.457 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.785 8.251 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.207 7.370 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.857 7.250 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.405 8.633 5.192 1.00 0.00 H new ATOM 523 N ASN A 37 -6.001 6.301 6.922 1.00 0.00 N ATOM 524 CA ASN A 37 -7.401 6.586 7.215 1.00 0.00 C ATOM 525 C ASN A 37 -7.983 5.539 8.160 1.00 0.00 C ATOM 526 O ASN A 37 -8.541 5.873 9.206 1.00 0.00 O ATOM 527 CB ASN A 37 -8.216 6.631 5.921 1.00 0.00 C ATOM 528 CG ASN A 37 -8.128 7.978 5.229 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.084 8.754 5.233 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.978 8.260 4.629 1.00 0.00 N ATOM 0 H ASN A 37 -5.777 6.267 5.927 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.453 7.559 7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.861 5.854 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.259 6.407 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.860 9.150 4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.212 7.586 4.651 1.00 0.00 H new ATOM 537 N PHE A 38 -7.849 4.272 7.785 1.00 0.00 N ATOM 538 CA PHE A 38 -8.361 3.175 8.598 1.00 0.00 C ATOM 539 C PHE A 38 -7.220 2.411 9.263 1.00 0.00 C ATOM 540 O PHE A 38 -6.741 1.396 8.756 1.00 0.00 O ATOM 541 CB PHE A 38 -9.196 2.223 7.740 1.00 0.00 C ATOM 542 CG PHE A 38 -10.462 2.841 7.217 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.425 3.743 6.167 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.688 2.519 7.776 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.587 4.313 5.683 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.854 3.085 7.296 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.803 3.985 6.249 1.00 0.00 C ATOM 0 H PHE A 38 -7.390 3.979 6.923 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.993 3.599 9.378 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.593 1.882 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.448 1.342 8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.477 4.004 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.733 1.818 8.596 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.544 5.014 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.804 2.824 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.712 4.431 5.874 1.00 0.00 H new ATOM 557 N PRO A 39 -6.772 2.909 10.425 1.00 0.00 N ATOM 558 CA PRO A 39 -5.682 2.289 11.184 1.00 0.00 C ATOM 559 C PRO A 39 -6.090 0.955 11.800 1.00 0.00 C ATOM 560 O PRO A 39 -5.312 0.003 11.811 1.00 0.00 O ATOM 561 CB PRO A 39 -5.385 3.316 12.280 1.00 0.00 C ATOM 562 CG PRO A 39 -6.660 4.069 12.449 1.00 0.00 C ATOM 563 CD PRO A 39 -7.297 4.115 11.088 1.00 0.00 C ATOM 0 HA PRO A 39 -4.824 2.059 10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.087 2.829 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.569 3.979 11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.313 3.575 13.169 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.472 5.074 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.385 4.097 11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.025 5.022 10.547 1.00 0.00 H new ATOM 571 N ASN A 40 -7.315 0.895 12.312 1.00 0.00 N ATOM 572 CA ASN A 40 -7.826 -0.324 12.930 1.00 0.00 C ATOM 573 C ASN A 40 -8.415 -1.260 11.880 1.00 0.00 C ATOM 574 O ASN A 40 -9.030 -2.275 12.212 1.00 0.00 O ATOM 575 CB ASN A 40 -8.887 0.018 13.978 1.00 0.00 C ATOM 576 CG ASN A 40 -8.292 0.667 15.213 1.00 0.00 C ATOM 577 OD1 ASN A 40 -7.445 0.082 15.889 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.734 1.883 15.512 1.00 0.00 N ATOM 0 H ASN A 40 -7.972 1.675 12.311 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.994 -0.832 13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.625 0.689 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.415 -0.891 14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.371 2.371 16.331 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.437 2.329 14.923 1.00 0.00 H new ATOM 585 N LEU A 41 -8.222 -0.915 10.612 1.00 0.00 N ATOM 586 CA LEU A 41 -8.733 -1.725 9.512 1.00 0.00 C ATOM 587 C LEU A 41 -8.627 -3.212 9.835 1.00 0.00 C ATOM 588 O LEU A 41 -9.613 -3.946 9.763 1.00 0.00 O ATOM 589 CB LEU A 41 -7.966 -1.415 8.225 1.00 0.00 C ATOM 590 CG LEU A 41 -8.556 -1.992 6.937 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.578 -1.035 6.343 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.453 -2.288 5.932 1.00 0.00 C ATOM 0 H LEU A 41 -7.715 -0.079 10.320 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.785 -1.477 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.899 -0.332 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.948 -1.788 8.334 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.061 -2.927 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.987 -1.462 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.384 -0.873 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.097 -0.084 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.891 -2.698 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.920 -1.367 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.757 -3.011 6.358 1.00 0.00 H new ATOM 604 N LYS A 42 -7.425 -3.650 10.194 1.00 0.00 N ATOM 605 CA LYS A 42 -7.190 -5.048 10.532 1.00 0.00 C ATOM 606 C LYS A 42 -8.310 -5.591 11.413 1.00 0.00 C ATOM 607 O LYS A 42 -8.897 -6.631 11.115 1.00 0.00 O ATOM 608 CB LYS A 42 -5.845 -5.201 11.247 1.00 0.00 C ATOM 609 CG LYS A 42 -4.662 -4.718 10.427 1.00 0.00 C ATOM 610 CD LYS A 42 -3.345 -5.213 11.002 1.00 0.00 C ATOM 611 CE LYS A 42 -3.340 -6.726 11.161 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.957 -7.271 11.238 1.00 0.00 N ATOM 0 H LYS A 42 -6.598 -3.056 10.258 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.170 -5.622 9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.877 -4.647 12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.696 -6.250 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.765 -5.066 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.660 -3.628 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.526 -4.912 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.170 -4.744 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.888 -6.998 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.863 -7.181 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.997 -8.305 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.441 -7.033 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.465 -6.856 12.055 1.00 0.00 H new ATOM 626 N GLU A 43 -8.603 -4.879 12.497 1.00 0.00 N ATOM 627 CA GLU A 43 -9.654 -5.291 13.420 1.00 0.00 C ATOM 628 C GLU A 43 -10.982 -5.467 12.688 1.00 0.00 C ATOM 629 O GLU A 43 -11.562 -6.552 12.686 1.00 0.00 O ATOM 630 CB GLU A 43 -9.810 -4.263 14.542 1.00 0.00 C ATOM 631 CG GLU A 43 -8.585 -4.144 15.433 1.00 0.00 C ATOM 632 CD GLU A 43 -8.606 -5.126 16.589 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.709 -5.433 17.087 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.519 -5.587 16.995 1.00 0.00 O ATOM 0 H GLU A 43 -8.128 -4.015 12.757 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.367 -6.249 13.853 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.026 -3.289 14.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.670 -4.534 15.155 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.689 -4.311 14.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.523 -3.129 15.825 1.00 0.00 H new ATOM 641 N GLU A 44 -11.457 -4.390 12.070 1.00 0.00 N ATOM 642 CA GLU A 44 -12.716 -4.425 11.336 1.00 0.00 C ATOM 643 C GLU A 44 -12.763 -5.622 10.391 1.00 0.00 C ATOM 644 O GLU A 44 -13.791 -6.288 10.265 1.00 0.00 O ATOM 645 CB GLU A 44 -12.908 -3.129 10.545 1.00 0.00 C ATOM 646 CG GLU A 44 -13.624 -2.040 11.325 1.00 0.00 C ATOM 647 CD GLU A 44 -13.340 -0.652 10.784 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.268 -0.461 10.173 1.00 0.00 O ATOM 649 OE2 GLU A 44 -14.191 0.243 10.972 1.00 0.00 O ATOM 0 H GLU A 44 -10.989 -3.484 12.063 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.525 -4.524 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.933 -2.757 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.473 -3.347 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.698 -2.224 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.320 -2.088 12.371 1.00 0.00 H new ATOM 656 N PHE A 45 -11.642 -5.889 9.729 1.00 0.00 N ATOM 657 CA PHE A 45 -11.555 -7.005 8.794 1.00 0.00 C ATOM 658 C PHE A 45 -10.264 -7.791 9.004 1.00 0.00 C ATOM 659 O PHE A 45 -9.212 -7.466 8.451 1.00 0.00 O ATOM 660 CB PHE A 45 -11.627 -6.497 7.352 1.00 0.00 C ATOM 661 CG PHE A 45 -12.590 -5.360 7.165 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.216 -4.060 7.464 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.871 -5.592 6.689 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.100 -3.012 7.293 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.760 -4.548 6.515 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.374 -3.256 6.818 1.00 0.00 C ATOM 0 H PHE A 45 -10.782 -5.349 9.822 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.399 -7.669 8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.634 -6.177 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.918 -7.320 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.221 -3.863 7.835 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.178 -6.600 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.795 -2.003 7.530 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.755 -4.742 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.067 -2.439 6.684 1.00 0.00 H new ATOM 676 N PRO A 46 -10.343 -8.850 9.823 1.00 0.00 N ATOM 677 CA PRO A 46 -9.191 -9.704 10.126 1.00 0.00 C ATOM 678 C PRO A 46 -8.758 -10.541 8.927 1.00 0.00 C ATOM 679 O PRO A 46 -7.580 -10.569 8.571 1.00 0.00 O ATOM 680 CB PRO A 46 -9.705 -10.607 11.250 1.00 0.00 C ATOM 681 CG PRO A 46 -11.182 -10.644 11.061 1.00 0.00 C ATOM 682 CD PRO A 46 -11.564 -9.295 10.516 1.00 0.00 C ATOM 0 HA PRO A 46 -8.311 -9.120 10.398 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.272 -11.605 11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.441 -10.209 12.230 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.467 -11.438 10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.691 -10.842 12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.412 -9.362 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.849 -8.606 11.311 1.00 0.00 H new ATOM 690 N ASP A 47 -9.718 -11.219 8.308 1.00 0.00 N ATOM 691 CA ASP A 47 -9.435 -12.055 7.147 1.00 0.00 C ATOM 692 C ASP A 47 -9.052 -11.201 5.942 1.00 0.00 C ATOM 693 O ASP A 47 -9.830 -10.361 5.492 1.00 0.00 O ATOM 694 CB ASP A 47 -10.650 -12.921 6.808 1.00 0.00 C ATOM 695 CG ASP A 47 -11.122 -13.745 7.989 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.145 -13.208 9.117 1.00 0.00 O ATOM 697 OD2 ASP A 47 -11.468 -14.928 7.787 1.00 0.00 O ATOM 0 H ASP A 47 -10.698 -11.206 8.590 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.593 -12.702 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.464 -12.282 6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.399 -13.586 5.982 1.00 0.00 H new ATOM 702 N TRP A 48 -7.848 -11.422 5.427 1.00 0.00 N ATOM 703 CA TRP A 48 -7.360 -10.672 4.275 1.00 0.00 C ATOM 704 C TRP A 48 -8.359 -10.730 3.125 1.00 0.00 C ATOM 705 O TRP A 48 -8.852 -9.700 2.664 1.00 0.00 O ATOM 706 CB TRP A 48 -6.007 -11.219 3.820 1.00 0.00 C ATOM 707 CG TRP A 48 -5.501 -10.580 2.562 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.115 -11.217 1.417 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.324 -9.180 2.323 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.709 -10.297 0.481 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.828 -9.040 1.012 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.537 -8.030 3.088 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.543 -7.797 0.453 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.254 -6.797 2.532 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.762 -6.689 1.224 1.00 0.00 C ATOM 0 H TRP A 48 -7.192 -12.114 5.789 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.240 -9.631 4.575 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.276 -11.069 4.615 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.092 -12.294 3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.127 -12.287 1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.373 -10.515 -0.457 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.916 -8.104 4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.162 -7.711 -0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.415 -5.902 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.552 -5.711 0.817 1.00 0.00 H new ATOM 726 N THR A 49 -8.655 -11.942 2.665 1.00 0.00 N ATOM 727 CA THR A 49 -9.595 -12.134 1.568 1.00 0.00 C ATOM 728 C THR A 49 -10.825 -11.248 1.736 1.00 0.00 C ATOM 729 O THR A 49 -11.509 -10.927 0.764 1.00 0.00 O ATOM 730 CB THR A 49 -10.045 -13.603 1.464 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.994 -14.470 1.905 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.430 -13.952 0.034 1.00 0.00 C ATOM 0 H THR A 49 -8.257 -12.805 3.035 1.00 0.00 H new ATOM 0 HA THR A 49 -9.073 -11.856 0.652 1.00 0.00 H new ATOM 0 HB THR A 49 -10.919 -13.738 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.289 -15.402 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.744 -14.995 -0.014 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.250 -13.311 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.572 -13.801 -0.621 1.00 0.00 H new ATOM 740 N THR A 50 -11.101 -10.855 2.975 1.00 0.00 N ATOM 741 CA THR A 50 -12.248 -10.007 3.271 1.00 0.00 C ATOM 742 C THR A 50 -11.829 -8.550 3.428 1.00 0.00 C ATOM 743 O THR A 50 -12.587 -7.637 3.101 1.00 0.00 O ATOM 744 CB THR A 50 -12.969 -10.463 4.553 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.580 -11.742 4.343 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.028 -9.453 4.968 1.00 0.00 C ATOM 0 H THR A 50 -10.545 -11.111 3.791 1.00 0.00 H new ATOM 0 HA THR A 50 -12.932 -10.097 2.427 1.00 0.00 H new ATOM 0 HB THR A 50 -12.230 -10.539 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.035 -12.026 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.523 -9.797 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.557 -8.488 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.764 -9.349 4.171 1.00 0.00 H new ATOM 754 N ARG A 51 -10.617 -8.339 3.931 1.00 0.00 N ATOM 755 CA ARG A 51 -10.097 -6.992 4.133 1.00 0.00 C ATOM 756 C ARG A 51 -9.725 -6.348 2.801 1.00 0.00 C ATOM 757 O ARG A 51 -10.140 -5.227 2.503 1.00 0.00 O ATOM 758 CB ARG A 51 -8.876 -7.026 5.054 1.00 0.00 C ATOM 759 CG ARG A 51 -8.283 -5.654 5.330 1.00 0.00 C ATOM 760 CD ARG A 51 -7.240 -5.710 6.435 1.00 0.00 C ATOM 761 NE ARG A 51 -5.932 -6.120 5.933 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.999 -6.686 6.690 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.229 -6.909 7.976 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.833 -7.032 6.159 1.00 0.00 N ATOM 0 H ARG A 51 -9.977 -9.084 4.206 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.879 -6.394 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.158 -7.488 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.111 -7.660 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.829 -5.263 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.077 -4.963 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.157 -4.730 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.567 -6.407 7.207 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.723 -5.963 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.125 -6.646 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.510 -7.344 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.653 -6.863 5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.117 -7.467 6.741 1.00 0.00 H new ATOM 778 N VAL A 52 -8.940 -7.064 2.002 1.00 0.00 N ATOM 779 CA VAL A 52 -8.512 -6.563 0.701 1.00 0.00 C ATOM 780 C VAL A 52 -9.690 -5.996 -0.084 1.00 0.00 C ATOM 781 O VAL A 52 -9.591 -4.929 -0.690 1.00 0.00 O ATOM 782 CB VAL A 52 -7.838 -7.669 -0.132 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.841 -8.755 -0.489 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.207 -7.081 -1.386 1.00 0.00 C ATOM 0 H VAL A 52 -8.587 -7.993 2.233 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.789 -5.769 0.889 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.048 -8.121 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.346 -9.528 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.241 -9.195 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.655 -8.322 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.735 -7.876 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.977 -6.602 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.456 -6.343 -1.104 1.00 0.00 H new ATOM 794 N LYS A 53 -10.805 -6.718 -0.070 1.00 0.00 N ATOM 795 CA LYS A 53 -12.004 -6.289 -0.779 1.00 0.00 C ATOM 796 C LYS A 53 -12.421 -4.887 -0.344 1.00 0.00 C ATOM 797 O LYS A 53 -12.830 -4.069 -1.167 1.00 0.00 O ATOM 798 CB LYS A 53 -13.150 -7.272 -0.529 1.00 0.00 C ATOM 799 CG LYS A 53 -12.869 -8.675 -1.040 1.00 0.00 C ATOM 800 CD LYS A 53 -13.861 -9.681 -0.482 1.00 0.00 C ATOM 801 CE LYS A 53 -13.713 -11.040 -1.149 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.525 -12.085 -0.467 1.00 0.00 N ATOM 0 H LYS A 53 -10.903 -7.604 0.425 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.777 -6.269 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.352 -7.318 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.053 -6.894 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.915 -8.683 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.857 -8.968 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.711 -9.784 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.876 -9.312 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.018 -10.967 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.664 -11.335 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.396 -12.996 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.217 -12.173 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.529 -11.817 -0.494 1.00 0.00 H new ATOM 816 N GLN A 54 -12.311 -4.618 0.953 1.00 0.00 N ATOM 817 CA GLN A 54 -12.676 -3.314 1.495 1.00 0.00 C ATOM 818 C GLN A 54 -11.789 -2.216 0.916 1.00 0.00 C ATOM 819 O GLN A 54 -12.279 -1.273 0.294 1.00 0.00 O ATOM 820 CB GLN A 54 -12.566 -3.324 3.021 1.00 0.00 C ATOM 821 CG GLN A 54 -13.605 -4.200 3.700 1.00 0.00 C ATOM 822 CD GLN A 54 -14.959 -3.525 3.805 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.965 -4.048 3.325 1.00 0.00 O ATOM 824 NE2 GLN A 54 -14.991 -2.357 4.436 1.00 0.00 N ATOM 0 H GLN A 54 -11.973 -5.284 1.647 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.709 -3.107 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.571 -3.670 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.666 -2.304 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.710 -5.131 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.256 -4.463 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.133 -1.960 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.874 -1.857 4.538 1.00 0.00 H new ATOM 833 N ILE A 55 -10.483 -2.345 1.126 1.00 0.00 N ATOM 834 CA ILE A 55 -9.529 -1.365 0.625 1.00 0.00 C ATOM 835 C ILE A 55 -9.925 -0.873 -0.764 1.00 0.00 C ATOM 836 O ILE A 55 -9.725 0.294 -1.100 1.00 0.00 O ATOM 837 CB ILE A 55 -8.104 -1.945 0.565 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.650 -2.386 1.958 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.139 -0.921 -0.013 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.377 -3.203 1.948 1.00 0.00 C ATOM 0 H ILE A 55 -10.062 -3.119 1.640 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.542 -0.527 1.322 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.110 -2.818 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.500 -1.503 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.444 -2.971 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.136 -1.346 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.455 -0.651 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.134 -0.031 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.115 -3.481 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.528 -4.104 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.570 -2.613 1.514 1.00 0.00 H new ATOM 852 N ALA A 56 -10.488 -1.771 -1.565 1.00 0.00 N ATOM 853 CA ALA A 56 -10.915 -1.428 -2.916 1.00 0.00 C ATOM 854 C ALA A 56 -12.037 -0.395 -2.891 1.00 0.00 C ATOM 855 O ALA A 56 -11.925 0.674 -3.491 1.00 0.00 O ATOM 856 CB ALA A 56 -11.361 -2.677 -3.662 1.00 0.00 C ATOM 0 H ALA A 56 -10.659 -2.742 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.065 -0.990 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.677 -2.406 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.532 -3.382 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.194 -3.139 -3.132 1.00 0.00 H new ATOM 862 N LYS A 57 -13.120 -0.722 -2.194 1.00 0.00 N ATOM 863 CA LYS A 57 -14.263 0.176 -2.090 1.00 0.00 C ATOM 864 C LYS A 57 -13.851 1.515 -1.485 1.00 0.00 C ATOM 865 O LYS A 57 -14.166 2.576 -2.026 1.00 0.00 O ATOM 866 CB LYS A 57 -15.364 -0.461 -1.239 1.00 0.00 C ATOM 867 CG LYS A 57 -15.251 -0.141 0.242 1.00 0.00 C ATOM 868 CD LYS A 57 -16.426 -0.700 1.025 1.00 0.00 C ATOM 869 CE LYS A 57 -16.464 -0.151 2.443 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.814 -0.288 3.056 1.00 0.00 N ATOM 0 H LYS A 57 -13.230 -1.603 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.645 0.353 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.334 -0.122 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.334 -1.542 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.322 -0.554 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.202 0.939 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.356 -0.453 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.359 -1.787 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.732 -0.677 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.175 0.900 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.798 0.098 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.509 0.235 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.080 -1.293 3.089 1.00 0.00 H new ATOM 884 N LEU A 58 -13.142 1.459 -0.363 1.00 0.00 N ATOM 885 CA LEU A 58 -12.684 2.667 0.314 1.00 0.00 C ATOM 886 C LEU A 58 -11.812 3.511 -0.610 1.00 0.00 C ATOM 887 O LEU A 58 -11.824 4.740 -0.539 1.00 0.00 O ATOM 888 CB LEU A 58 -11.904 2.302 1.578 1.00 0.00 C ATOM 889 CG LEU A 58 -12.662 1.480 2.621 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.690 0.781 3.559 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.619 2.366 3.405 1.00 0.00 C ATOM 0 H LEU A 58 -12.872 0.590 0.097 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.560 3.253 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.014 1.746 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.563 3.224 2.049 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.245 0.719 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.248 0.201 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.045 0.116 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.080 1.525 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.150 1.764 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.056 3.149 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.337 2.820 2.722 1.00 0.00 H new ATOM 903 N TRP A 59 -11.058 2.844 -1.476 1.00 0.00 N ATOM 904 CA TRP A 59 -10.182 3.534 -2.416 1.00 0.00 C ATOM 905 C TRP A 59 -10.989 4.206 -3.521 1.00 0.00 C ATOM 906 O TRP A 59 -10.842 5.402 -3.770 1.00 0.00 O ATOM 907 CB TRP A 59 -9.179 2.552 -3.025 1.00 0.00 C ATOM 908 CG TRP A 59 -8.263 3.184 -4.028 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.234 2.951 -5.373 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.242 4.153 -3.765 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.256 3.716 -5.962 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.633 4.463 -4.997 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.783 4.790 -2.608 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.591 5.380 -5.103 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.749 5.700 -2.715 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.163 5.989 -3.955 1.00 0.00 C ATOM 0 H TRP A 59 -11.035 1.827 -1.547 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.639 4.305 -1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.583 2.111 -2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.723 1.738 -3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.884 2.266 -5.897 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.030 3.726 -6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.229 4.575 -1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.137 5.603 -6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.386 6.197 -1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.358 6.707 -4.005 1.00 0.00 H new ATOM 927 N ARG A 60 -11.842 3.429 -4.181 1.00 0.00 N ATOM 928 CA ARG A 60 -12.672 3.950 -5.260 1.00 0.00 C ATOM 929 C ARG A 60 -13.560 5.087 -4.763 1.00 0.00 C ATOM 930 O ARG A 60 -13.798 6.061 -5.477 1.00 0.00 O ATOM 931 CB ARG A 60 -13.537 2.835 -5.851 1.00 0.00 C ATOM 932 CG ARG A 60 -12.738 1.757 -6.564 1.00 0.00 C ATOM 933 CD ARG A 60 -13.624 0.905 -7.458 1.00 0.00 C ATOM 934 NE ARG A 60 -12.848 0.143 -8.433 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.244 -1.006 -8.155 1.00 0.00 C ATOM 936 NH1 ARG A 60 -12.326 -1.525 -6.937 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.556 -1.640 -9.096 1.00 0.00 N ATOM 0 H ARG A 60 -11.976 2.437 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.012 4.339 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.118 2.375 -5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.248 3.272 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.954 2.220 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.244 1.122 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.207 0.219 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.334 1.546 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.766 0.514 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.854 -1.041 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.861 -2.408 -6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.491 -1.245 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.092 -2.523 -8.881 1.00 0.00 H new ATOM 951 N LYS A 61 -14.047 4.957 -3.534 1.00 0.00 N ATOM 952 CA LYS A 61 -14.908 5.972 -2.939 1.00 0.00 C ATOM 953 C LYS A 61 -14.239 7.343 -2.978 1.00 0.00 C ATOM 954 O LYS A 61 -14.890 8.354 -3.239 1.00 0.00 O ATOM 955 CB LYS A 61 -15.248 5.600 -1.494 1.00 0.00 C ATOM 956 CG LYS A 61 -16.476 4.715 -1.367 1.00 0.00 C ATOM 957 CD LYS A 61 -17.054 4.764 0.037 1.00 0.00 C ATOM 958 CE LYS A 61 -16.191 3.992 1.023 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.916 3.708 2.292 1.00 0.00 N ATOM 0 H LYS A 61 -13.860 4.157 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.828 6.019 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.394 5.089 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.408 6.513 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.232 5.035 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.213 3.687 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.139 5.801 0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.062 4.349 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.872 3.054 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.289 4.563 1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.249 3.749 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.665 4.417 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.341 2.760 2.244 1.00 0.00 H new ATOM 973 N ALA A 62 -12.936 7.368 -2.719 1.00 0.00 N ATOM 974 CA ALA A 62 -12.179 8.614 -2.728 1.00 0.00 C ATOM 975 C ALA A 62 -12.063 9.175 -4.141 1.00 0.00 C ATOM 976 O ALA A 62 -11.995 8.424 -5.114 1.00 0.00 O ATOM 977 CB ALA A 62 -10.798 8.397 -2.129 1.00 0.00 C ATOM 0 H ALA A 62 -12.382 6.540 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.716 9.341 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.244 9.336 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.898 8.049 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.261 7.650 -2.714 1.00 0.00 H new ATOM 983 N SER A 63 -12.041 10.500 -4.247 1.00 0.00 N ATOM 984 CA SER A 63 -11.937 11.162 -5.542 1.00 0.00 C ATOM 985 C SER A 63 -10.480 11.275 -5.979 1.00 0.00 C ATOM 986 O SER A 63 -9.569 11.258 -5.151 1.00 0.00 O ATOM 987 CB SER A 63 -12.573 12.552 -5.481 1.00 0.00 C ATOM 988 OG SER A 63 -13.910 12.481 -5.016 1.00 0.00 O ATOM 0 H SER A 63 -12.094 11.136 -3.451 1.00 0.00 H new ATOM 0 HA SER A 63 -12.472 10.558 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.989 13.194 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.553 13.009 -6.471 1.00 0.00 H new ATOM 0 HG SER A 63 -14.294 13.382 -4.984 1.00 0.00 H new ATOM 994 N SER A 64 -10.268 11.392 -7.286 1.00 0.00 N ATOM 995 CA SER A 64 -8.922 11.505 -7.835 1.00 0.00 C ATOM 996 C SER A 64 -8.107 12.541 -7.067 1.00 0.00 C ATOM 997 O SER A 64 -6.977 12.276 -6.657 1.00 0.00 O ATOM 998 CB SER A 64 -8.983 11.884 -9.316 1.00 0.00 C ATOM 999 OG SER A 64 -9.966 11.124 -9.997 1.00 0.00 O ATOM 0 H SER A 64 -11.011 11.411 -7.984 1.00 0.00 H new ATOM 0 HA SER A 64 -8.433 10.536 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.208 12.946 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.009 11.721 -9.777 1.00 0.00 H new ATOM 0 HG SER A 64 -9.986 11.386 -10.941 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.690 13.720 -6.875 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.018 14.796 -6.156 1.00 0.00 C ATOM 1007 C GLN A 65 -7.595 14.340 -4.764 1.00 0.00 C ATOM 1008 O GLN A 65 -6.674 14.899 -4.171 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.934 16.016 -6.050 1.00 0.00 C ATOM 1010 CG GLN A 65 -8.833 16.958 -7.239 1.00 0.00 C ATOM 1011 CD GLN A 65 -9.508 16.406 -8.479 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -10.695 16.640 -8.710 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -8.754 15.669 -9.286 1.00 0.00 N ATOM 0 H GLN A 65 -9.626 13.954 -7.207 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.123 15.070 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.966 15.678 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.690 16.565 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.285 17.915 -6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.783 17.151 -7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.775 15.500 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.154 15.272 -10.136 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.276 13.321 -4.248 1.00 0.00 N ATOM 1023 CA GLU A 66 -7.971 12.791 -2.924 1.00 0.00 C ATOM 1024 C GLU A 66 -6.824 11.787 -2.991 1.00 0.00 C ATOM 1025 O GLU A 66 -5.996 11.713 -2.083 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.209 12.127 -2.318 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.041 11.742 -0.858 1.00 0.00 C ATOM 1028 CD GLU A 66 -9.212 12.921 0.080 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -10.370 13.306 0.344 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -8.188 13.458 0.550 1.00 0.00 O ATOM 0 H GLU A 66 -9.042 12.847 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.667 13.623 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.057 12.806 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.451 11.234 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.769 10.972 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.052 11.307 -0.712 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.782 11.016 -4.073 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.739 10.015 -4.258 1.00 0.00 C ATOM 1039 C ARG A 67 -4.456 10.657 -4.779 1.00 0.00 C ATOM 1040 O ARG A 67 -3.396 10.033 -4.784 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.209 8.930 -5.229 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.637 8.472 -4.985 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.267 7.912 -6.250 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.614 7.399 -6.011 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.416 6.962 -6.976 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -10.009 6.975 -8.238 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.627 6.510 -6.679 1.00 0.00 N ATOM 0 H ARG A 67 -7.459 11.066 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.531 9.561 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.126 9.306 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.543 8.071 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.648 7.711 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.232 9.310 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.306 8.691 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.639 7.113 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.957 7.375 -5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.078 7.321 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.627 6.639 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.943 6.498 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.242 6.175 -7.420 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.561 11.907 -5.216 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.410 12.634 -5.737 1.00 0.00 C ATOM 1063 C ALA A 68 -2.164 12.359 -4.902 1.00 0.00 C ATOM 1064 O ALA A 68 -1.140 11.897 -5.406 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.703 14.127 -5.777 1.00 0.00 C ATOM 0 H ALA A 68 -5.432 12.438 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.219 12.285 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.835 14.658 -6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.562 14.312 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.922 14.482 -4.770 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.250 12.650 -3.596 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.137 12.443 -2.664 1.00 0.00 C ATOM 1073 C PRO A 69 -0.857 10.964 -2.417 1.00 0.00 C ATOM 1074 O PRO A 69 0.289 10.519 -2.492 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.621 13.118 -1.378 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.107 13.080 -1.466 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.439 13.204 -2.928 1.00 0.00 C ATOM 0 HA PRO A 69 -0.202 12.850 -3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.263 12.589 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.255 14.142 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.499 12.150 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.553 13.894 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.340 12.647 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.614 14.241 -3.214 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.909 10.209 -2.122 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.775 8.780 -1.861 1.00 0.00 C ATOM 1087 C TYR A 70 -1.235 8.051 -3.088 1.00 0.00 C ATOM 1088 O TYR A 70 -0.734 6.931 -2.988 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.125 8.187 -1.454 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.734 8.846 -0.238 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.174 8.675 1.023 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.870 9.638 -0.348 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.728 9.275 2.137 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.430 10.242 0.761 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.855 10.058 2.001 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.410 10.658 3.108 1.00 0.00 O ATOM 0 H TYR A 70 -2.864 10.562 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.067 8.650 -1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.818 8.276 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.000 7.123 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.291 8.063 1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.323 9.784 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.281 9.132 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.313 10.855 0.658 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.198 11.175 2.839 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.340 8.696 -4.245 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.861 8.111 -5.492 1.00 0.00 C ATOM 1108 C VAL A 71 0.627 8.377 -5.688 1.00 0.00 C ATOM 1109 O VAL A 71 1.367 7.509 -6.151 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.634 8.664 -6.704 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -0.991 8.203 -8.003 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.094 8.241 -6.643 1.00 0.00 C ATOM 0 H VAL A 71 -1.752 9.624 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.029 7.036 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.593 9.753 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.551 8.603 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.038 8.561 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.998 7.114 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.625 8.641 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.158 7.153 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.546 8.626 -5.729 1.00 0.00 H new ATOM 1122 N GLN A 72 1.059 9.583 -5.332 1.00 0.00 N ATOM 1123 CA GLN A 72 2.460 9.963 -5.469 1.00 0.00 C ATOM 1124 C GLN A 72 3.290 9.407 -4.316 1.00 0.00 C ATOM 1125 O GLN A 72 4.344 8.808 -4.528 1.00 0.00 O ATOM 1126 CB GLN A 72 2.595 11.486 -5.522 1.00 0.00 C ATOM 1127 CG GLN A 72 3.985 11.986 -5.167 1.00 0.00 C ATOM 1128 CD GLN A 72 5.015 11.650 -6.228 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.155 12.363 -7.222 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.743 10.559 -6.022 1.00 0.00 N ATOM 0 H GLN A 72 0.459 10.313 -4.947 1.00 0.00 H new ATOM 0 HA GLN A 72 2.836 9.540 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.339 11.830 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.872 11.931 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.953 13.066 -5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.292 11.549 -4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.594 9.997 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.452 10.283 -6.702 1.00 0.00 H new ATOM 1139 N LYS A 73 2.808 9.611 -3.094 1.00 0.00 N ATOM 1140 CA LYS A 73 3.504 9.130 -1.907 1.00 0.00 C ATOM 1141 C LYS A 73 3.890 7.662 -2.059 1.00 0.00 C ATOM 1142 O LYS A 73 5.035 7.283 -1.814 1.00 0.00 O ATOM 1143 CB LYS A 73 2.625 9.311 -0.667 1.00 0.00 C ATOM 1144 CG LYS A 73 3.347 9.024 0.638 1.00 0.00 C ATOM 1145 CD LYS A 73 2.545 9.504 1.836 1.00 0.00 C ATOM 1146 CE LYS A 73 2.916 8.739 3.097 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.574 9.502 4.329 1.00 0.00 N ATOM 0 H LYS A 73 1.938 10.106 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 73 4.415 9.716 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.247 10.333 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.760 8.653 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.529 7.953 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.321 9.513 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.721 10.569 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.481 9.382 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.396 7.781 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.984 8.522 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.842 8.947 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.090 10.405 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.551 9.687 4.350 1.00 0.00 H new ATOM 1161 N ALA A 74 2.928 6.841 -2.468 1.00 0.00 N ATOM 1162 CA ALA A 74 3.169 5.416 -2.656 1.00 0.00 C ATOM 1163 C ALA A 74 4.378 5.178 -3.555 1.00 0.00 C ATOM 1164 O ALA A 74 5.137 4.230 -3.352 1.00 0.00 O ATOM 1165 CB ALA A 74 1.935 4.745 -3.241 1.00 0.00 C ATOM 0 H ALA A 74 1.975 7.139 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 74 3.381 4.977 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.129 3.681 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.093 4.877 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.698 5.196 -4.205 1.00 0.00 H new ATOM 1171 N ARG A 75 4.551 6.044 -4.548 1.00 0.00 N ATOM 1172 CA ARG A 75 5.667 5.926 -5.479 1.00 0.00 C ATOM 1173 C ARG A 75 6.977 6.333 -4.810 1.00 0.00 C ATOM 1174 O ARG A 75 8.005 5.679 -4.987 1.00 0.00 O ATOM 1175 CB ARG A 75 5.422 6.793 -6.715 1.00 0.00 C ATOM 1176 CG ARG A 75 4.256 6.321 -7.568 1.00 0.00 C ATOM 1177 CD ARG A 75 3.753 7.425 -8.484 1.00 0.00 C ATOM 1178 NE ARG A 75 4.578 7.560 -9.682 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.198 8.229 -10.764 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.013 8.822 -10.799 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.005 8.308 -11.815 1.00 0.00 N ATOM 0 H ARG A 75 3.933 6.835 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 75 5.744 4.883 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.237 7.819 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.326 6.806 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.565 5.463 -8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.445 5.984 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.724 7.214 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.744 8.370 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 75 5.496 7.116 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.390 8.765 -9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.724 9.335 -11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.918 7.854 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.712 8.822 -12.646 1.00 0.00 H new ATOM 1195 N ASP A 76 6.932 7.417 -4.044 1.00 0.00 N ATOM 1196 CA ASP A 76 8.115 7.912 -3.349 1.00 0.00 C ATOM 1197 C ASP A 76 8.546 6.942 -2.253 1.00 0.00 C ATOM 1198 O ASP A 76 9.737 6.781 -1.986 1.00 0.00 O ATOM 1199 CB ASP A 76 7.840 9.291 -2.748 1.00 0.00 C ATOM 1200 CG ASP A 76 9.099 10.124 -2.610 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.009 9.706 -1.863 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.176 11.193 -3.250 1.00 0.00 O ATOM 0 H ASP A 76 6.089 7.970 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 76 8.924 7.996 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.124 9.821 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.378 9.171 -1.768 1.00 0.00 H new ATOM 1207 N ASN A 77 7.570 6.300 -1.620 1.00 0.00 N ATOM 1208 CA ASN A 77 7.848 5.348 -0.551 1.00 0.00 C ATOM 1209 C ASN A 77 8.801 4.256 -1.030 1.00 0.00 C ATOM 1210 O ASN A 77 9.641 3.774 -0.270 1.00 0.00 O ATOM 1211 CB ASN A 77 6.547 4.721 -0.047 1.00 0.00 C ATOM 1212 CG ASN A 77 5.855 5.581 0.992 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.495 6.373 1.685 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.541 5.430 1.105 1.00 0.00 N ATOM 0 H ASN A 77 6.579 6.422 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 77 8.324 5.887 0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.874 4.561 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.761 3.741 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.021 5.982 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.051 4.762 0.510 1.00 0.00 H new ATOM 1221 N ARG A 78 8.663 3.872 -2.294 1.00 0.00 N ATOM 1222 CA ARG A 78 9.510 2.837 -2.875 1.00 0.00 C ATOM 1223 C ARG A 78 10.971 3.276 -2.892 1.00 0.00 C ATOM 1224 O ARG A 78 11.877 2.462 -2.720 1.00 0.00 O ATOM 1225 CB ARG A 78 9.048 2.507 -4.295 1.00 0.00 C ATOM 1226 CG ARG A 78 7.698 1.810 -4.351 1.00 0.00 C ATOM 1227 CD ARG A 78 7.337 1.408 -5.772 1.00 0.00 C ATOM 1228 NE ARG A 78 5.912 1.120 -5.914 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.301 0.998 -7.087 1.00 0.00 C ATOM 1230 NH1 ARG A 78 5.986 1.137 -8.213 1.00 0.00 N ATOM 1231 NH2 ARG A 78 4.001 0.736 -7.134 1.00 0.00 N ATOM 0 H ARG A 78 7.973 4.262 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 78 9.425 1.944 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.995 3.429 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.795 1.873 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.718 0.925 -3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.929 2.472 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.615 2.209 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.915 0.529 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 78 5.356 1.006 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.985 1.338 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.514 1.043 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.471 0.628 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.532 0.642 -8.035 1.00 0.00 H new ATOM 1245 N ALA A 79 11.192 4.570 -3.103 1.00 0.00 N ATOM 1246 CA ALA A 79 12.541 5.118 -3.142 1.00 0.00 C ATOM 1247 C ALA A 79 13.209 5.031 -1.774 1.00 0.00 C ATOM 1248 O ALA A 79 14.332 4.543 -1.651 1.00 0.00 O ATOM 1249 CB ALA A 79 12.512 6.561 -3.625 1.00 0.00 C ATOM 0 H ALA A 79 10.453 5.258 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 79 13.127 4.523 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.527 6.957 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.083 6.601 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.905 7.160 -2.946 1.00 0.00 H new ATOM 1255 N ALA A 80 12.511 5.508 -0.748 1.00 0.00 N ATOM 1256 CA ALA A 80 13.036 5.482 0.611 1.00 0.00 C ATOM 1257 C ALA A 80 13.683 4.137 0.925 1.00 0.00 C ATOM 1258 O ALA A 80 14.740 4.076 1.553 1.00 0.00 O ATOM 1259 CB ALA A 80 11.929 5.783 1.611 1.00 0.00 C ATOM 0 H ALA A 80 11.580 5.917 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 80 13.803 6.252 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.336 5.760 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.515 6.771 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.142 5.034 1.519 1.00 0.00 H new ATOM 1265 N LEU A 81 13.041 3.061 0.484 1.00 0.00 N ATOM 1266 CA LEU A 81 13.554 1.715 0.718 1.00 0.00 C ATOM 1267 C LEU A 81 14.970 1.569 0.170 1.00 0.00 C ATOM 1268 O LEU A 81 15.910 1.298 0.918 1.00 0.00 O ATOM 1269 CB LEU A 81 12.635 0.678 0.071 1.00 0.00 C ATOM 1270 CG LEU A 81 11.168 0.719 0.501 1.00 0.00 C ATOM 1271 CD1 LEU A 81 10.344 -0.262 -0.318 1.00 0.00 C ATOM 1272 CD2 LEU A 81 11.039 0.417 1.987 1.00 0.00 C ATOM 0 H LEU A 81 12.165 3.094 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 81 13.582 1.545 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.679 0.807 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.029 -0.314 0.290 1.00 0.00 H new ATOM 0 HG LEU A 81 10.784 1.723 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.303 -0.219 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.410 0.000 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.727 -1.272 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.988 0.451 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.440 -0.575 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.596 1.159 2.559 1.00 0.00 H new ATOM 1284 N ARG A 82 15.114 1.751 -1.138 1.00 0.00 N ATOM 1285 CA ARG A 82 16.416 1.641 -1.786 1.00 0.00 C ATOM 1286 C ARG A 82 17.485 2.381 -0.987 1.00 0.00 C ATOM 1287 O ARG A 82 18.487 1.793 -0.580 1.00 0.00 O ATOM 1288 CB ARG A 82 16.350 2.198 -3.209 1.00 0.00 C ATOM 1289 CG ARG A 82 15.653 1.274 -4.193 1.00 0.00 C ATOM 1290 CD ARG A 82 15.723 1.816 -5.612 1.00 0.00 C ATOM 1291 NE ARG A 82 17.101 1.985 -6.066 1.00 0.00 N ATOM 1292 CZ ARG A 82 17.829 3.068 -5.817 1.00 0.00 C ATOM 1293 NH1 ARG A 82 17.313 4.072 -5.122 1.00 0.00 N ATOM 1294 NH2 ARG A 82 19.075 3.148 -6.264 1.00 0.00 N ATOM 0 H ARG A 82 14.346 1.975 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 82 16.685 0.586 -1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.829 3.155 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.363 2.392 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.114 0.287 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.610 1.150 -3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.200 1.137 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.205 2.774 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 82 17.528 1.230 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.355 4.014 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.874 4.902 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.475 2.378 -6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.633 3.980 -6.072 1.00 0.00 H new ATOM 1308 N ILE A 83 17.265 3.673 -0.768 1.00 0.00 N ATOM 1309 CA ILE A 83 18.209 4.492 -0.019 1.00 0.00 C ATOM 1310 C ILE A 83 18.451 3.917 1.373 1.00 0.00 C ATOM 1311 O ILE A 83 19.561 3.497 1.697 1.00 0.00 O ATOM 1312 CB ILE A 83 17.711 5.943 0.117 1.00 0.00 C ATOM 1313 CG1 ILE A 83 17.575 6.590 -1.263 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.657 6.748 0.995 1.00 0.00 C ATOM 1315 CD1 ILE A 83 16.210 6.403 -1.887 1.00 0.00 C ATOM 0 H ILE A 83 16.441 4.175 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 83 19.144 4.488 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 83 16.729 5.932 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.783 7.657 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.330 6.170 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.291 7.771 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.707 6.296 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.651 6.755 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.187 6.887 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.007 5.339 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.451 6.848 -1.243 1.00 0.00 H new ATOM 1327 N ASN A 84 17.404 3.902 2.191 1.00 0.00 N ATOM 1328 CA ASN A 84 17.502 3.377 3.548 1.00 0.00 C ATOM 1329 C ASN A 84 17.806 1.882 3.533 1.00 0.00 C ATOM 1330 O ASN A 84 17.896 1.266 2.471 1.00 0.00 O ATOM 1331 CB ASN A 84 16.203 3.637 4.314 1.00 0.00 C ATOM 1332 CG ASN A 84 16.042 5.095 4.700 1.00 0.00 C ATOM 1333 OD1 ASN A 84 16.772 5.608 5.548 1.00 0.00 O ATOM 1334 ND2 ASN A 84 15.082 5.769 4.078 1.00 0.00 N ATOM 0 H ASN A 84 16.478 4.247 1.938 1.00 0.00 H new ATOM 0 HA ASN A 84 18.321 3.891 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.355 3.330 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.185 3.022 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.926 6.753 4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.501 5.303 3.382 1.00 0.00 H new ATOM 1341 N LYS A 85 17.962 1.303 4.719 1.00 0.00 N ATOM 1342 CA LYS A 85 18.254 -0.120 4.844 1.00 0.00 C ATOM 1343 C LYS A 85 19.098 -0.607 3.671 1.00 0.00 C ATOM 1344 O LYS A 85 18.836 -1.668 3.103 1.00 0.00 O ATOM 1345 CB LYS A 85 16.953 -0.923 4.919 1.00 0.00 C ATOM 1346 CG LYS A 85 16.160 -0.918 3.624 1.00 0.00 C ATOM 1347 CD LYS A 85 14.704 -1.283 3.860 1.00 0.00 C ATOM 1348 CE LYS A 85 14.522 -2.787 3.996 1.00 0.00 C ATOM 1349 NZ LYS A 85 13.317 -3.129 4.803 1.00 0.00 N ATOM 0 H LYS A 85 17.891 1.798 5.608 1.00 0.00 H new ATOM 0 HA LYS A 85 18.820 -0.271 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.187 -1.953 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.331 -0.518 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.219 0.069 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.604 -1.624 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.346 -0.789 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.097 -0.915 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.434 -3.233 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.407 -3.219 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.228 -4.163 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.412 -2.725 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.469 -2.739 4.344 1.00 0.00 H new ATOM 1363 N VAL A 86 20.114 0.172 3.314 1.00 0.00 N ATOM 1364 CA VAL A 86 20.998 -0.182 2.210 1.00 0.00 C ATOM 1365 C VAL A 86 21.321 -1.672 2.220 1.00 0.00 C ATOM 1366 O VAL A 86 21.881 -2.188 3.187 1.00 0.00 O ATOM 1367 CB VAL A 86 22.314 0.617 2.267 1.00 0.00 C ATOM 1368 CG1 VAL A 86 23.224 0.230 1.112 1.00 0.00 C ATOM 1369 CG2 VAL A 86 22.030 2.112 2.255 1.00 0.00 C ATOM 0 H VAL A 86 20.345 1.053 3.774 1.00 0.00 H new ATOM 0 HA VAL A 86 20.470 0.066 1.290 1.00 0.00 H new ATOM 0 HB VAL A 86 22.826 0.375 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.149 0.805 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 86 23.454 -0.834 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 86 22.723 0.441 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 86 22.971 2.661 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 86 21.496 2.374 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 86 21.419 2.373 3.119 1.00 0.00 H new ATOM 1379 N GLN A 87 20.963 -2.356 1.139 1.00 0.00 N ATOM 1380 CA GLN A 87 21.215 -3.788 1.023 1.00 0.00 C ATOM 1381 C GLN A 87 22.597 -4.052 0.435 1.00 0.00 C ATOM 1382 O GLN A 87 23.435 -4.698 1.062 1.00 0.00 O ATOM 1383 CB GLN A 87 20.142 -4.447 0.154 1.00 0.00 C ATOM 1384 CG GLN A 87 20.398 -5.921 -0.114 1.00 0.00 C ATOM 1385 CD GLN A 87 19.257 -6.586 -0.858 1.00 0.00 C ATOM 1386 OE1 GLN A 87 18.136 -6.076 -0.881 1.00 0.00 O ATOM 1387 NE2 GLN A 87 19.536 -7.730 -1.470 1.00 0.00 N ATOM 0 H GLN A 87 20.498 -1.943 0.331 1.00 0.00 H new ATOM 0 HA GLN A 87 21.178 -4.220 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 87 19.173 -4.338 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 87 20.081 -3.918 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 87 21.315 -6.027 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 87 20.558 -6.436 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 87 20.479 -8.116 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.807 -8.223 -1.986 1.00 0.00 H new ATOM 1396 N MET A 88 22.826 -3.549 -0.774 1.00 0.00 N ATOM 1397 CA MET A 88 24.107 -3.730 -1.446 1.00 0.00 C ATOM 1398 C MET A 88 25.205 -2.933 -0.749 1.00 0.00 C ATOM 1399 O MET A 88 24.944 -1.886 -0.158 1.00 0.00 O ATOM 1400 CB MET A 88 24.003 -3.304 -2.912 1.00 0.00 C ATOM 1401 CG MET A 88 23.786 -1.810 -3.096 1.00 0.00 C ATOM 1402 SD MET A 88 22.901 -1.419 -4.617 1.00 0.00 S ATOM 1403 CE MET A 88 21.204 -1.648 -4.091 1.00 0.00 C ATOM 0 H MET A 88 22.141 -3.013 -1.308 1.00 0.00 H new ATOM 0 HA MET A 88 24.366 -4.788 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 88 24.914 -3.598 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 88 23.180 -3.843 -3.381 1.00 0.00 H new ATOM 0 HG2 MET A 88 23.228 -1.420 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 88 24.752 -1.305 -3.102 1.00 0.00 H new ATOM 0 HE1 MET A 88 20.534 -1.442 -4.925 1.00 0.00 H new ATOM 0 HE2 MET A 88 21.062 -2.676 -3.757 1.00 0.00 H new ATOM 0 HE3 MET A 88 20.982 -0.966 -3.270 1.00 0.00 H new ATOM 1413 N SER A 89 26.433 -3.437 -0.822 1.00 0.00 N ATOM 1414 CA SER A 89 27.570 -2.774 -0.194 1.00 0.00 C ATOM 1415 C SER A 89 28.728 -2.634 -1.177 1.00 0.00 C ATOM 1416 O SER A 89 29.394 -3.612 -1.512 1.00 0.00 O ATOM 1417 CB SER A 89 28.025 -3.555 1.040 1.00 0.00 C ATOM 1418 OG SER A 89 29.270 -3.075 1.517 1.00 0.00 O ATOM 0 H SER A 89 26.666 -4.302 -1.310 1.00 0.00 H new ATOM 0 HA SER A 89 27.254 -1.777 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.274 -3.470 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.110 -4.613 0.793 1.00 0.00 H new ATOM 0 HG SER A 89 29.538 -3.589 2.307 1.00 0.00 H new ATOM 1424 N ASN A 90 28.961 -1.408 -1.636 1.00 0.00 N ATOM 1425 CA ASN A 90 30.039 -1.139 -2.582 1.00 0.00 C ATOM 1426 C ASN A 90 31.401 -1.368 -1.934 1.00 0.00 C ATOM 1427 O ASN A 90 32.398 -1.585 -2.623 1.00 0.00 O ATOM 1428 CB ASN A 90 29.943 0.298 -3.100 1.00 0.00 C ATOM 1429 CG ASN A 90 30.784 0.522 -4.341 1.00 0.00 C ATOM 1430 OD1 ASN A 90 30.258 0.655 -5.446 1.00 0.00 O ATOM 1431 ND2 ASN A 90 32.100 0.564 -4.164 1.00 0.00 N ATOM 0 H ASN A 90 28.419 -0.586 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 90 29.935 -1.828 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 90 28.902 0.532 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 90 30.264 0.986 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 90 32.718 0.711 -4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 90 32.493 0.449 -3.230 1.00 0.00 H new TER 1438 ASN A 90