USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot -61:sc= 0.12 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.666 K(o=0.67,f=-0.067) USER MOD Single : A 17 TYR OH : rot 179:sc= 0.224 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -87:sc= 0.734 USER MOD Single : A 25 HIS : no HD1:sc= 0.99 K(o=0.99,f=-3!) USER MOD Single : A 26 ASN : amide:sc= -0.276 K(o=-0.28,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.00165 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 76:sc= 1.09 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.0658 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -99:sc= 0.0573 USER MOD Single : B 25 HIS : no HD1:sc= 1.23 K(o=1.2,f=-3.6!) USER MOD Single : B 26 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 171:sc= 0.238 (180deg=0.212) USER MOD Single : B 39 HIS : +bothHN:sc= 0.446 K(o=0.45,f=-6!) USER MOD Single : B 45 THR OG1 : rot 78:sc= 0.116 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 4.184 12.715 -10.854 1.00 0.00 C HETATM 2 O ACE A 0 4.359 12.812 -12.066 1.00 0.00 O HETATM 3 CH3 ACE A 0 3.602 13.871 -10.073 1.00 0.00 C HETATM 0 H1 ACE A 0 2.673 13.557 -9.597 1.00 0.00 H new HETATM 0 H2 ACE A 0 4.312 14.188 -9.309 1.00 0.00 H new HETATM 0 H3 ACE A 0 3.400 14.702 -10.749 1.00 0.00 H new ATOM 7 N ASP A 1 4.479 11.623 -10.149 1.00 0.00 N ATOM 8 CA ASP A 1 5.151 10.426 -10.697 1.00 0.00 C ATOM 9 C ASP A 1 4.592 9.090 -10.170 1.00 0.00 C ATOM 10 O ASP A 1 4.697 8.055 -10.826 1.00 0.00 O ATOM 11 CB ASP A 1 6.643 10.528 -10.352 1.00 0.00 C ATOM 12 CG ASP A 1 7.506 9.526 -11.139 1.00 0.00 C ATOM 13 OD1 ASP A 1 7.570 9.629 -12.388 1.00 0.00 O ATOM 14 OD2 ASP A 1 8.156 8.661 -10.505 1.00 0.00 O ATOM 0 H ASP A 1 4.256 11.536 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 1 4.973 10.415 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.991 11.540 -10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.777 10.356 -9.284 1.00 0.00 H new ATOM 19 N TYR A 2 3.959 9.117 -8.995 1.00 0.00 N ATOM 20 CA TYR A 2 3.405 7.944 -8.299 1.00 0.00 C ATOM 21 C TYR A 2 2.452 7.083 -9.146 1.00 0.00 C ATOM 22 O TYR A 2 2.460 5.860 -9.043 1.00 0.00 O ATOM 23 CB TYR A 2 2.720 8.405 -7.002 1.00 0.00 C ATOM 24 CG TYR A 2 1.421 9.184 -7.156 1.00 0.00 C ATOM 25 CD1 TYR A 2 1.443 10.575 -7.386 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.185 8.516 -7.039 1.00 0.00 C ATOM 27 CE1 TYR A 2 0.237 11.290 -7.528 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.021 9.230 -7.171 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.000 10.618 -7.426 1.00 0.00 C ATOM 30 OH TYR A 2 -2.163 11.307 -7.590 1.00 0.00 O ATOM 0 H TYR A 2 3.811 9.985 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 2 4.247 7.288 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.519 7.525 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.424 9.024 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.388 11.094 -7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.163 7.453 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.259 12.353 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.965 8.714 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.226 12.009 -6.909 1.00 0.00 H new ATOM 40 N LEU A 3 1.662 7.715 -10.019 1.00 0.00 N ATOM 41 CA LEU A 3 0.689 7.046 -10.902 1.00 0.00 C ATOM 42 C LEU A 3 1.359 6.155 -11.952 1.00 0.00 C ATOM 43 O LEU A 3 0.893 5.045 -12.216 1.00 0.00 O ATOM 44 CB LEU A 3 -0.203 8.079 -11.613 1.00 0.00 C ATOM 45 CG LEU A 3 -1.153 8.824 -10.667 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.889 9.919 -11.438 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.203 7.901 -10.032 1.00 0.00 C ATOM 0 H LEU A 3 1.678 8.728 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 3 0.082 6.409 -10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.431 8.804 -12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.790 7.573 -12.380 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.538 9.241 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.564 10.447 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.166 10.622 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.463 9.470 -12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.847 8.482 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.806 7.442 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.703 7.122 -9.456 1.00 0.00 H new ATOM 59 N ARG A 4 2.477 6.626 -12.519 1.00 0.00 N ATOM 60 CA ARG A 4 3.336 5.838 -13.421 1.00 0.00 C ATOM 61 C ARG A 4 3.872 4.599 -12.704 1.00 0.00 C ATOM 62 O ARG A 4 3.797 3.498 -13.248 1.00 0.00 O ATOM 63 CB ARG A 4 4.471 6.727 -13.966 1.00 0.00 C ATOM 64 CG ARG A 4 5.413 5.998 -14.939 1.00 0.00 C ATOM 65 CD ARG A 4 6.504 6.955 -15.436 1.00 0.00 C ATOM 66 NE ARG A 4 7.488 6.263 -16.295 1.00 0.00 N ATOM 67 CZ ARG A 4 8.558 6.803 -16.853 1.00 0.00 C ATOM 68 NH1 ARG A 4 8.858 8.063 -16.705 1.00 0.00 N ATOM 69 NH2 ARG A 4 9.359 6.078 -17.581 1.00 0.00 N ATOM 0 H ARG A 4 2.817 7.575 -12.364 1.00 0.00 H new ATOM 0 HA ARG A 4 2.748 5.487 -14.269 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.035 7.588 -14.473 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.054 7.111 -13.129 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.869 5.141 -14.442 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.845 5.611 -15.785 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.045 7.772 -15.993 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.015 7.399 -14.582 1.00 0.00 H new ATOM 0 HE ARG A 4 7.326 5.272 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.258 8.667 -16.143 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.692 8.444 -17.151 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.162 5.087 -17.723 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.183 6.501 -18.009 1.00 0.00 H new ATOM 83 N GLU A 5 4.355 4.765 -11.472 1.00 0.00 N ATOM 84 CA GLU A 5 4.879 3.649 -10.667 1.00 0.00 C ATOM 85 C GLU A 5 3.787 2.622 -10.295 1.00 0.00 C ATOM 86 O GLU A 5 4.025 1.412 -10.344 1.00 0.00 O ATOM 87 CB GLU A 5 5.617 4.212 -9.443 1.00 0.00 C ATOM 88 CG GLU A 5 6.311 3.123 -8.617 1.00 0.00 C ATOM 89 CD GLU A 5 7.412 3.710 -7.710 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.098 4.440 -6.737 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.613 3.445 -7.965 1.00 0.00 O ATOM 0 H GLU A 5 4.396 5.669 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 5 5.593 3.086 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.359 4.939 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.908 4.746 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.573 2.605 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.748 2.381 -9.286 1.00 0.00 H new ATOM 98 N LEU A 6 2.570 3.096 -10.013 1.00 0.00 N ATOM 99 CA LEU A 6 1.352 2.299 -9.801 1.00 0.00 C ATOM 100 C LEU A 6 1.007 1.421 -11.017 1.00 0.00 C ATOM 101 O LEU A 6 0.958 0.192 -10.923 1.00 0.00 O ATOM 102 CB LEU A 6 0.200 3.288 -9.477 1.00 0.00 C ATOM 103 CG LEU A 6 -0.470 3.160 -8.102 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.504 3.058 -6.931 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.320 4.412 -7.855 1.00 0.00 C ATOM 0 H LEU A 6 2.396 4.097 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 6 1.509 1.606 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.589 4.302 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.570 3.171 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.047 2.236 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.055 2.971 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.136 2.179 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.128 3.951 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.804 4.337 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.682 5.295 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.080 4.495 -8.632 1.00 0.00 H new ATOM 117 N LEU A 7 0.785 2.055 -12.170 1.00 0.00 N ATOM 118 CA LEU A 7 0.303 1.448 -13.397 1.00 0.00 C ATOM 119 C LEU A 7 1.316 0.462 -14.005 1.00 0.00 C ATOM 120 O LEU A 7 0.939 -0.648 -14.390 1.00 0.00 O ATOM 121 CB LEU A 7 -0.046 2.635 -14.315 1.00 0.00 C ATOM 122 CG LEU A 7 -0.349 2.238 -15.754 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.544 1.295 -15.887 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.603 3.475 -16.613 1.00 0.00 C ATOM 0 H LEU A 7 0.947 3.057 -12.271 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.572 0.820 -13.230 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.910 3.157 -13.904 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.785 3.341 -14.311 1.00 0.00 H new ATOM 0 HG LEU A 7 0.535 1.703 -16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.702 1.054 -16.938 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.348 0.379 -15.330 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.435 1.779 -15.488 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.817 3.169 -17.637 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.454 4.027 -16.213 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.281 4.113 -16.602 1.00 0.00 H new ATOM 136 N LYS A 8 2.601 0.836 -14.077 1.00 0.00 N ATOM 137 CA LYS A 8 3.658 -0.009 -14.674 1.00 0.00 C ATOM 138 C LYS A 8 3.930 -1.302 -13.887 1.00 0.00 C ATOM 139 O LYS A 8 4.470 -2.246 -14.462 1.00 0.00 O ATOM 140 CB LYS A 8 4.949 0.819 -14.845 1.00 0.00 C ATOM 141 CG LYS A 8 4.844 1.967 -15.870 1.00 0.00 C ATOM 142 CD LYS A 8 5.290 1.604 -17.301 1.00 0.00 C ATOM 143 CE LYS A 8 4.463 0.522 -18.012 1.00 0.00 C ATOM 144 NZ LYS A 8 3.099 0.995 -18.376 1.00 0.00 N ATOM 0 H LYS A 8 2.942 1.731 -13.725 1.00 0.00 H new ATOM 0 HA LYS A 8 3.296 -0.333 -15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.228 1.237 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.756 0.152 -15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.810 2.311 -15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.447 2.804 -15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.265 2.509 -17.908 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.328 1.273 -17.264 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.986 0.203 -18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.381 -0.352 -17.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.582 0.229 -18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.587 1.275 -17.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.174 1.812 -19.015 1.00 0.00 H new ATOM 158 N GLY A 9 3.533 -1.371 -12.612 1.00 0.00 N ATOM 159 CA GLY A 9 3.821 -2.485 -11.714 1.00 0.00 C ATOM 160 C GLY A 9 2.670 -3.440 -11.438 1.00 0.00 C ATOM 161 O GLY A 9 2.890 -4.648 -11.384 1.00 0.00 O ATOM 0 H GLY A 9 2.988 -0.632 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.648 -3.058 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.164 -2.078 -10.763 1.00 0.00 H new ATOM 165 N GLU A 10 1.440 -2.937 -11.347 1.00 0.00 N ATOM 166 CA GLU A 10 0.249 -3.811 -11.290 1.00 0.00 C ATOM 167 C GLU A 10 0.185 -4.758 -12.499 1.00 0.00 C ATOM 168 O GLU A 10 -0.139 -5.938 -12.344 1.00 0.00 O ATOM 169 CB GLU A 10 -1.039 -2.971 -11.229 1.00 0.00 C ATOM 170 CG GLU A 10 -1.296 -2.248 -9.895 1.00 0.00 C ATOM 171 CD GLU A 10 -2.155 -3.099 -8.961 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.872 -4.224 -8.523 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.334 -2.875 -8.622 1.00 0.00 O ATOM 0 H GLU A 10 1.233 -1.939 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 10 0.333 -4.412 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.005 -2.227 -12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.887 -3.623 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.345 -2.021 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.793 -1.296 -10.084 1.00 0.00 H new ATOM 180 N LEU A 11 0.562 -4.282 -13.694 1.00 0.00 N ATOM 181 CA LEU A 11 0.541 -5.119 -14.912 1.00 0.00 C ATOM 182 C LEU A 11 1.565 -6.268 -14.865 1.00 0.00 C ATOM 183 O LEU A 11 1.295 -7.381 -15.321 1.00 0.00 O ATOM 184 CB LEU A 11 0.604 -4.184 -16.144 1.00 0.00 C ATOM 185 CG LEU A 11 1.763 -4.394 -17.131 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.478 -5.490 -18.161 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.041 -3.099 -17.898 1.00 0.00 C ATOM 0 H LEU A 11 0.885 -3.327 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.396 -5.671 -14.988 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.331 -4.289 -16.695 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.649 -3.156 -15.785 1.00 0.00 H new ATOM 0 HG LEU A 11 2.621 -4.696 -16.530 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.333 -5.592 -18.830 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.305 -6.436 -17.647 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.594 -5.224 -18.740 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.864 -3.258 -18.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.149 -2.805 -18.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.308 -2.310 -17.195 1.00 0.00 H new ATOM 199 N GLN A 12 2.700 -6.025 -14.217 1.00 0.00 N ATOM 200 CA GLN A 12 3.774 -6.983 -13.992 1.00 0.00 C ATOM 201 C GLN A 12 3.417 -8.030 -12.916 1.00 0.00 C ATOM 202 O GLN A 12 4.124 -9.030 -12.770 1.00 0.00 O ATOM 203 CB GLN A 12 5.061 -6.194 -13.684 1.00 0.00 C ATOM 204 CG GLN A 12 6.331 -7.044 -13.809 1.00 0.00 C ATOM 205 CD GLN A 12 7.589 -6.182 -13.889 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.009 -5.741 -14.952 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.244 -5.905 -12.780 1.00 0.00 N ATOM 0 H GLN A 12 2.904 -5.110 -13.816 1.00 0.00 H new ATOM 0 HA GLN A 12 3.935 -7.578 -14.891 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.131 -5.345 -14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.999 -5.790 -12.674 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.405 -7.715 -12.953 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.263 -7.670 -14.699 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.908 -6.264 -11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.087 -5.332 -12.815 1.00 0.00 H new ATOM 216 N GLY A 13 2.291 -7.856 -12.213 1.00 0.00 N ATOM 217 CA GLY A 13 1.716 -8.865 -11.328 1.00 0.00 C ATOM 218 C GLY A 13 0.738 -9.779 -12.067 1.00 0.00 C ATOM 219 O GLY A 13 0.768 -10.992 -11.846 1.00 0.00 O ATOM 0 H GLY A 13 1.748 -6.993 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.515 -9.465 -10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.201 -8.373 -10.503 1.00 0.00 H new ATOM 223 N ILE A 14 -0.079 -9.241 -12.991 1.00 0.00 N ATOM 224 CA ILE A 14 -1.119 -10.047 -13.669 1.00 0.00 C ATOM 225 C ILE A 14 -0.502 -11.234 -14.420 1.00 0.00 C ATOM 226 O ILE A 14 -0.949 -12.374 -14.270 1.00 0.00 O ATOM 227 CB ILE A 14 -1.992 -9.203 -14.630 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.748 -8.103 -13.858 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.007 -10.092 -15.384 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.526 -7.141 -14.762 1.00 0.00 C ATOM 0 H ILE A 14 -0.043 -8.265 -13.285 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.771 -10.428 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.324 -8.737 -15.355 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.441 -8.572 -13.160 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.034 -7.532 -13.264 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.607 -9.474 -16.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.472 -10.842 -15.967 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.659 -10.589 -14.666 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.032 -6.395 -14.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.836 -6.643 -15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.264 -7.699 -15.337 1.00 0.00 H new ATOM 242 N LYS A 15 0.548 -10.972 -15.211 1.00 0.00 N ATOM 243 CA LYS A 15 1.159 -11.991 -16.082 1.00 0.00 C ATOM 244 C LYS A 15 1.808 -13.128 -15.284 1.00 0.00 C ATOM 245 O LYS A 15 1.714 -14.296 -15.659 1.00 0.00 O ATOM 246 CB LYS A 15 2.158 -11.323 -17.047 1.00 0.00 C ATOM 247 CG LYS A 15 2.535 -12.225 -18.243 1.00 0.00 C ATOM 248 CD LYS A 15 1.918 -11.731 -19.563 1.00 0.00 C ATOM 249 CE LYS A 15 2.097 -12.724 -20.724 1.00 0.00 C ATOM 250 NZ LYS A 15 3.524 -12.942 -21.086 1.00 0.00 N ATOM 0 H LYS A 15 0.996 -10.057 -15.267 1.00 0.00 H new ATOM 0 HA LYS A 15 0.366 -12.454 -16.669 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.728 -10.394 -17.421 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.062 -11.058 -16.499 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.620 -12.259 -18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.201 -13.244 -18.047 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.854 -11.546 -19.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.372 -10.778 -19.835 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.647 -13.679 -20.451 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.558 -12.355 -21.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.583 -13.619 -21.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.951 -12.039 -21.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.037 -13.321 -20.264 1.00 0.00 H new ATOM 264 N GLN A 16 2.417 -12.788 -14.149 1.00 0.00 N ATOM 265 CA GLN A 16 3.129 -13.722 -13.279 1.00 0.00 C ATOM 266 C GLN A 16 2.196 -14.621 -12.462 1.00 0.00 C ATOM 267 O GLN A 16 2.489 -15.802 -12.273 1.00 0.00 O ATOM 268 CB GLN A 16 4.070 -12.912 -12.375 1.00 0.00 C ATOM 269 CG GLN A 16 5.471 -12.719 -12.977 1.00 0.00 C ATOM 270 CD GLN A 16 5.497 -12.136 -14.393 1.00 0.00 C ATOM 271 OE1 GLN A 16 5.623 -12.836 -15.391 1.00 0.00 O ATOM 272 NE2 GLN A 16 5.381 -10.839 -14.553 1.00 0.00 N ATOM 0 H GLN A 16 2.429 -11.830 -13.800 1.00 0.00 H new ATOM 0 HA GLN A 16 3.702 -14.408 -13.903 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.627 -11.935 -12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.161 -13.416 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.044 -12.064 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.980 -13.683 -12.989 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.275 -10.232 -13.740 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.397 -10.437 -15.490 1.00 0.00 H new ATOM 281 N TYR A 17 1.035 -14.112 -12.049 1.00 0.00 N ATOM 282 CA TYR A 17 0.007 -14.918 -11.395 1.00 0.00 C ATOM 283 C TYR A 17 -0.583 -16.004 -12.295 1.00 0.00 C ATOM 284 O TYR A 17 -0.943 -17.074 -11.796 1.00 0.00 O ATOM 285 CB TYR A 17 -1.122 -14.005 -10.902 1.00 0.00 C ATOM 286 CG TYR A 17 -0.856 -13.301 -9.585 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.408 -14.027 -8.460 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.111 -11.921 -9.470 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.181 -13.366 -7.238 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.900 -11.259 -8.245 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.435 -11.982 -7.125 1.00 0.00 C ATOM 292 OH TYR A 17 -0.334 -11.374 -5.912 1.00 0.00 O ATOM 0 H TYR A 17 0.782 -13.130 -12.159 1.00 0.00 H new ATOM 0 HA TYR A 17 0.494 -15.426 -10.563 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.318 -13.252 -11.665 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.030 -14.599 -10.801 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.239 -15.091 -8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.470 -11.368 -10.325 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.188 -13.918 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.094 -10.200 -8.162 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.524 -10.417 -6.009 1.00 0.00 H new ATOM 302 N ARG A 18 -0.654 -15.771 -13.613 1.00 0.00 N ATOM 303 CA ARG A 18 -1.205 -16.772 -14.544 1.00 0.00 C ATOM 304 C ARG A 18 -0.338 -18.035 -14.628 1.00 0.00 C ATOM 305 O ARG A 18 -0.843 -19.118 -14.918 1.00 0.00 O ATOM 306 CB ARG A 18 -1.452 -16.176 -15.941 1.00 0.00 C ATOM 307 CG ARG A 18 -2.956 -16.095 -16.259 1.00 0.00 C ATOM 308 CD ARG A 18 -3.229 -15.887 -17.755 1.00 0.00 C ATOM 309 NE ARG A 18 -2.977 -17.122 -18.528 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.197 -17.312 -19.817 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.652 -16.366 -20.591 1.00 0.00 N ATOM 312 NH2 ARG A 18 -2.965 -18.473 -20.362 1.00 0.00 N ATOM 0 H ARG A 18 -0.341 -14.908 -14.057 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.169 -17.073 -14.134 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.013 -15.180 -15.996 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.952 -16.787 -16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.444 -17.012 -15.928 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.400 -15.275 -15.694 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.263 -15.572 -17.897 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.596 -15.084 -18.133 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.592 -17.912 -18.011 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.850 -15.443 -20.205 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.810 -16.549 -21.582 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.611 -19.242 -19.793 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.137 -18.613 -21.358 1.00 0.00 H new ATOM 326 N GLU A 19 0.956 -17.899 -14.342 1.00 0.00 N ATOM 327 CA GLU A 19 1.928 -18.995 -14.294 1.00 0.00 C ATOM 328 C GLU A 19 1.751 -19.919 -13.075 1.00 0.00 C ATOM 329 O GLU A 19 2.071 -21.107 -13.130 1.00 0.00 O ATOM 330 CB GLU A 19 3.326 -18.363 -14.216 1.00 0.00 C ATOM 331 CG GLU A 19 4.421 -19.177 -14.918 1.00 0.00 C ATOM 332 CD GLU A 19 4.293 -19.114 -16.454 1.00 0.00 C ATOM 333 OE1 GLU A 19 4.840 -18.168 -17.075 1.00 0.00 O ATOM 334 OE2 GLU A 19 3.658 -20.013 -17.055 1.00 0.00 O ATOM 0 H GLU A 19 1.373 -16.993 -14.130 1.00 0.00 H new ATOM 0 HA GLU A 19 1.783 -19.609 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.288 -17.367 -14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.598 -18.236 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.400 -18.801 -14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.366 -20.216 -14.592 1.00 0.00 H new ATOM 341 N ALA A 20 1.285 -19.369 -11.949 1.00 0.00 N ATOM 342 CA ALA A 20 1.462 -19.983 -10.630 1.00 0.00 C ATOM 343 C ALA A 20 0.400 -21.044 -10.279 1.00 0.00 C ATOM 344 O ALA A 20 0.670 -21.932 -9.466 1.00 0.00 O ATOM 345 CB ALA A 20 1.540 -18.855 -9.596 1.00 0.00 C ATOM 0 H ALA A 20 0.775 -18.486 -11.927 1.00 0.00 H new ATOM 0 HA ALA A 20 2.390 -20.554 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.672 -19.281 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.385 -18.207 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.619 -18.273 -9.622 1.00 0.00 H new ATOM 351 N LEU A 21 -0.769 -21.029 -10.932 1.00 0.00 N ATOM 352 CA LEU A 21 -1.770 -22.102 -10.819 1.00 0.00 C ATOM 353 C LEU A 21 -1.207 -23.452 -11.267 1.00 0.00 C ATOM 354 O LEU A 21 -1.591 -24.482 -10.721 1.00 0.00 O ATOM 355 CB LEU A 21 -3.028 -21.723 -11.616 1.00 0.00 C ATOM 356 CG LEU A 21 -4.220 -22.690 -11.471 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.846 -22.609 -10.080 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.308 -22.341 -12.483 1.00 0.00 C ATOM 0 H LEU A 21 -1.050 -20.272 -11.555 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.041 -22.212 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.349 -20.729 -11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.762 -21.656 -12.671 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.834 -23.695 -11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.683 -23.305 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.100 -22.869 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.203 -21.595 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.144 -23.031 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.653 -21.322 -12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.905 -22.421 -13.493 1.00 0.00 H new ATOM 370 N GLU A 22 -0.255 -23.476 -12.200 1.00 0.00 N ATOM 371 CA GLU A 22 0.283 -24.760 -12.695 1.00 0.00 C ATOM 372 C GLU A 22 1.104 -25.549 -11.660 1.00 0.00 C ATOM 373 O GLU A 22 1.226 -26.772 -11.747 1.00 0.00 O ATOM 374 CB GLU A 22 1.131 -24.532 -13.949 1.00 0.00 C ATOM 375 CG GLU A 22 0.390 -24.947 -15.230 1.00 0.00 C ATOM 376 CD GLU A 22 0.172 -26.476 -15.317 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.795 -26.996 -14.703 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.960 -27.165 -16.009 1.00 0.00 O ATOM 0 H GLU A 22 0.157 -22.646 -12.625 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.591 -25.370 -12.923 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.406 -23.479 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.058 -25.099 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.576 -24.443 -15.267 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.958 -24.614 -16.099 1.00 0.00 H new ATOM 385 N TYR A 23 1.635 -24.844 -10.665 1.00 0.00 N ATOM 386 CA TYR A 23 2.442 -25.379 -9.564 1.00 0.00 C ATOM 387 C TYR A 23 1.615 -25.652 -8.293 1.00 0.00 C ATOM 388 O TYR A 23 2.153 -26.173 -7.313 1.00 0.00 O ATOM 389 CB TYR A 23 3.596 -24.397 -9.275 1.00 0.00 C ATOM 390 CG TYR A 23 4.841 -24.639 -10.110 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.687 -25.718 -9.784 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.174 -23.788 -11.182 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.864 -25.945 -10.521 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.354 -24.009 -11.919 1.00 0.00 C ATOM 395 CZ TYR A 23 7.206 -25.089 -11.590 1.00 0.00 C ATOM 396 OH TYR A 23 8.353 -25.312 -12.290 1.00 0.00 O ATOM 0 H TYR A 23 1.510 -23.834 -10.598 1.00 0.00 H new ATOM 0 HA TYR A 23 2.840 -26.346 -9.871 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.246 -23.380 -9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.861 -24.465 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.431 -26.374 -8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.524 -22.965 -11.439 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.507 -26.775 -10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.609 -23.352 -12.737 1.00 0.00 H new ATOM 0 HH TYR A 23 8.443 -24.636 -12.994 1.00 0.00 H new ATOM 406 N THR A 24 0.321 -25.305 -8.287 1.00 0.00 N ATOM 407 CA THR A 24 -0.493 -25.228 -7.056 1.00 0.00 C ATOM 408 C THR A 24 -1.911 -25.793 -7.205 1.00 0.00 C ATOM 409 O THR A 24 -2.406 -26.471 -6.302 1.00 0.00 O ATOM 410 CB THR A 24 -0.587 -23.768 -6.577 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.214 -22.983 -7.562 1.00 0.00 O ATOM 412 CG2 THR A 24 0.758 -23.107 -6.272 1.00 0.00 C ATOM 0 H THR A 24 -0.196 -25.069 -9.134 1.00 0.00 H new ATOM 0 HA THR A 24 0.021 -25.852 -6.325 1.00 0.00 H new ATOM 0 HB THR A 24 -1.154 -23.816 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.542 -22.657 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.593 -22.081 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.267 -23.664 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.374 -23.104 -7.171 1.00 0.00 H new ATOM 420 N HIS A 25 -2.562 -25.549 -8.349 1.00 0.00 N ATOM 421 CA HIS A 25 -3.981 -25.824 -8.648 1.00 0.00 C ATOM 422 C HIS A 25 -4.965 -25.393 -7.529 1.00 0.00 C ATOM 423 O HIS A 25 -6.040 -25.975 -7.369 1.00 0.00 O ATOM 424 CB HIS A 25 -4.123 -27.261 -9.196 1.00 0.00 C ATOM 425 CG HIS A 25 -3.718 -27.349 -10.656 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.580 -27.235 -11.736 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.446 -27.454 -11.158 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.846 -27.263 -12.866 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.546 -27.398 -12.542 1.00 0.00 N ATOM 0 H HIS A 25 -2.084 -25.127 -9.145 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.313 -25.166 -9.451 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.505 -27.938 -8.606 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.155 -27.592 -9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.537 -27.560 -10.585 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.237 -27.189 -13.870 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.768 -27.450 -13.200 1.00 0.00 H new ATOM 438 N ASN A 26 -4.607 -24.355 -6.760 1.00 0.00 N ATOM 439 CA ASN A 26 -5.439 -23.744 -5.711 1.00 0.00 C ATOM 440 C ASN A 26 -6.494 -22.770 -6.284 1.00 0.00 C ATOM 441 O ASN A 26 -6.228 -22.087 -7.275 1.00 0.00 O ATOM 442 CB ASN A 26 -4.513 -23.035 -4.697 1.00 0.00 C ATOM 443 CG ASN A 26 -3.843 -24.018 -3.750 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.686 -24.375 -3.892 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.545 -24.494 -2.746 1.00 0.00 N ATOM 0 H ASN A 26 -3.698 -23.901 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.003 -24.532 -5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.750 -22.473 -5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.092 -22.314 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.121 -25.155 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.514 -24.202 -2.618 1.00 0.00 H new ATOM 452 N PRO A 27 -7.667 -22.621 -5.634 1.00 0.00 N ATOM 453 CA PRO A 27 -8.730 -21.709 -6.079 1.00 0.00 C ATOM 454 C PRO A 27 -8.425 -20.223 -5.804 1.00 0.00 C ATOM 455 O PRO A 27 -9.184 -19.348 -6.218 1.00 0.00 O ATOM 456 CB PRO A 27 -9.977 -22.165 -5.312 1.00 0.00 C ATOM 457 CG PRO A 27 -9.403 -22.684 -3.996 1.00 0.00 C ATOM 458 CD PRO A 27 -8.096 -23.338 -4.437 1.00 0.00 C ATOM 0 HA PRO A 27 -8.849 -21.760 -7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.675 -21.343 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.519 -22.943 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.232 -21.878 -3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.072 -23.398 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.343 -23.271 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.242 -24.397 -4.649 1.00 0.00 H new ATOM 466 N VAL A 28 -7.336 -19.906 -5.092 1.00 0.00 N ATOM 467 CA VAL A 28 -7.041 -18.550 -4.610 1.00 0.00 C ATOM 468 C VAL A 28 -6.427 -17.668 -5.695 1.00 0.00 C ATOM 469 O VAL A 28 -6.684 -16.467 -5.727 1.00 0.00 O ATOM 470 CB VAL A 28 -6.175 -18.644 -3.347 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.943 -17.274 -2.733 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.837 -19.516 -2.266 1.00 0.00 C ATOM 0 H VAL A 28 -6.627 -20.591 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.975 -18.054 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.232 -19.088 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.326 -17.375 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.435 -16.633 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.901 -16.829 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.193 -19.558 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.800 -19.085 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.988 -20.524 -2.653 1.00 0.00 H new ATOM 482 N LEU A 29 -5.718 -18.235 -6.671 1.00 0.00 N ATOM 483 CA LEU A 29 -5.241 -17.476 -7.826 1.00 0.00 C ATOM 484 C LEU A 29 -6.408 -16.964 -8.695 1.00 0.00 C ATOM 485 O LEU A 29 -6.340 -15.854 -9.222 1.00 0.00 O ATOM 486 CB LEU A 29 -4.242 -18.339 -8.606 1.00 0.00 C ATOM 487 CG LEU A 29 -3.069 -18.841 -7.737 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.191 -20.327 -7.415 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.741 -18.599 -8.440 1.00 0.00 C ATOM 0 H LEU A 29 -5.461 -19.222 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.724 -16.578 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.765 -19.196 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.846 -17.761 -9.441 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.107 -18.279 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.345 -20.637 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.118 -20.506 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.197 -20.901 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.926 -18.959 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.730 -19.132 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.615 -17.532 -8.621 1.00 0.00 H new ATOM 501 N ALA A 30 -7.526 -17.704 -8.725 1.00 0.00 N ATOM 502 CA ALA A 30 -8.815 -17.286 -9.294 1.00 0.00 C ATOM 503 C ALA A 30 -9.561 -16.199 -8.471 1.00 0.00 C ATOM 504 O ALA A 30 -10.684 -15.824 -8.817 1.00 0.00 O ATOM 505 CB ALA A 30 -9.671 -18.545 -9.505 1.00 0.00 C ATOM 0 H ALA A 30 -7.558 -18.647 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.620 -16.792 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.635 -18.263 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.160 -19.222 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.826 -19.044 -8.548 1.00 0.00 H new ATOM 511 N LYS A 31 -8.936 -15.663 -7.409 1.00 0.00 N ATOM 512 CA LYS A 31 -9.338 -14.470 -6.649 1.00 0.00 C ATOM 513 C LYS A 31 -8.277 -13.373 -6.720 1.00 0.00 C ATOM 514 O LYS A 31 -8.627 -12.209 -6.903 1.00 0.00 O ATOM 515 CB LYS A 31 -9.608 -14.836 -5.174 1.00 0.00 C ATOM 516 CG LYS A 31 -10.792 -15.796 -4.946 1.00 0.00 C ATOM 517 CD LYS A 31 -12.018 -15.110 -4.325 1.00 0.00 C ATOM 518 CE LYS A 31 -12.597 -14.019 -5.235 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.792 -13.381 -4.622 1.00 0.00 N ATOM 0 H LYS A 31 -8.083 -16.079 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.253 -14.089 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.708 -15.288 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.792 -13.918 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.078 -16.243 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.471 -16.610 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.786 -15.857 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.740 -14.671 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.837 -13.262 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.867 -14.452 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.160 -12.648 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.526 -14.100 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.527 -12.948 -3.714 1.00 0.00 H new ATOM 533 N ILE A 32 -6.993 -13.734 -6.638 1.00 0.00 N ATOM 534 CA ILE A 32 -5.899 -12.748 -6.622 1.00 0.00 C ATOM 535 C ILE A 32 -5.799 -11.987 -7.944 1.00 0.00 C ATOM 536 O ILE A 32 -6.061 -10.785 -7.982 1.00 0.00 O ATOM 537 CB ILE A 32 -4.539 -13.365 -6.225 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.513 -14.079 -4.856 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.514 -12.226 -6.157 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.393 -15.130 -4.785 1.00 0.00 C ATOM 0 H ILE A 32 -6.681 -14.704 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.154 -12.029 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.321 -14.123 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.372 -13.343 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.475 -14.559 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.540 -12.629 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.442 -11.743 -7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.831 -11.495 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.407 -15.611 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.548 -15.880 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.429 -14.645 -4.937 1.00 0.00 H new ATOM 552 N LEU A 33 -5.458 -12.666 -9.043 1.00 0.00 N ATOM 553 CA LEU A 33 -5.358 -11.998 -10.345 1.00 0.00 C ATOM 554 C LEU A 33 -6.734 -11.626 -10.911 1.00 0.00 C ATOM 555 O LEU A 33 -6.826 -10.736 -11.751 1.00 0.00 O ATOM 556 CB LEU A 33 -4.507 -12.832 -11.311 1.00 0.00 C ATOM 557 CG LEU A 33 -5.252 -14.008 -11.964 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.728 -13.677 -13.382 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.392 -15.268 -12.062 1.00 0.00 C ATOM 0 H LEU A 33 -5.249 -13.664 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.842 -11.048 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.126 -12.179 -12.096 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.643 -13.220 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.105 -14.189 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.248 -14.538 -13.801 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.406 -12.824 -13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.869 -13.433 -14.007 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.968 -16.066 -12.531 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.507 -15.059 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.087 -15.579 -11.063 1.00 0.00 H new ATOM 571 N GLU A 34 -7.801 -12.270 -10.425 1.00 0.00 N ATOM 572 CA GLU A 34 -9.171 -11.859 -10.722 1.00 0.00 C ATOM 573 C GLU A 34 -9.418 -10.413 -10.263 1.00 0.00 C ATOM 574 O GLU A 34 -9.980 -9.626 -11.022 1.00 0.00 O ATOM 575 CB GLU A 34 -10.158 -12.858 -10.100 1.00 0.00 C ATOM 576 CG GLU A 34 -11.645 -12.491 -10.222 1.00 0.00 C ATOM 577 CD GLU A 34 -12.142 -12.296 -11.669 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.750 -13.075 -12.572 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.970 -11.379 -11.891 1.00 0.00 O ATOM 0 H GLU A 34 -7.736 -13.087 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.331 -11.870 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.004 -13.831 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.916 -12.969 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.239 -13.274 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.826 -11.573 -9.663 1.00 0.00 H new ATOM 586 N ASP A 35 -8.931 -10.016 -9.079 1.00 0.00 N ATOM 587 CA ASP A 35 -8.921 -8.611 -8.667 1.00 0.00 C ATOM 588 C ASP A 35 -7.958 -7.746 -9.476 1.00 0.00 C ATOM 589 O ASP A 35 -8.372 -6.702 -9.982 1.00 0.00 O ATOM 590 CB ASP A 35 -8.547 -8.513 -7.191 1.00 0.00 C ATOM 591 CG ASP A 35 -9.542 -9.117 -6.191 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.745 -9.282 -6.508 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.092 -9.363 -5.046 1.00 0.00 O ATOM 0 H ASP A 35 -8.537 -10.655 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.926 -8.231 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.583 -9.002 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.410 -7.460 -6.943 1.00 0.00 H new ATOM 598 N GLU A 36 -6.700 -8.167 -9.660 1.00 0.00 N ATOM 599 CA GLU A 36 -5.742 -7.394 -10.460 1.00 0.00 C ATOM 600 C GLU A 36 -6.225 -7.100 -11.895 1.00 0.00 C ATOM 601 O GLU A 36 -5.784 -6.118 -12.493 1.00 0.00 O ATOM 602 CB GLU A 36 -4.376 -8.089 -10.502 1.00 0.00 C ATOM 603 CG GLU A 36 -3.721 -8.425 -9.151 1.00 0.00 C ATOM 604 CD GLU A 36 -3.297 -7.228 -8.301 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.760 -6.078 -8.488 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.500 -7.398 -7.339 1.00 0.00 O ATOM 0 H GLU A 36 -6.324 -9.031 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.651 -6.432 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.485 -9.016 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.690 -7.454 -11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.418 -9.030 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.843 -9.043 -9.338 1.00 0.00 H new ATOM 613 N GLU A 37 -7.170 -7.881 -12.432 1.00 0.00 N ATOM 614 CA GLU A 37 -7.730 -7.655 -13.774 1.00 0.00 C ATOM 615 C GLU A 37 -8.596 -6.382 -13.820 1.00 0.00 C ATOM 616 O GLU A 37 -8.585 -5.652 -14.815 1.00 0.00 O ATOM 617 CB GLU A 37 -8.542 -8.885 -14.220 1.00 0.00 C ATOM 618 CG GLU A 37 -8.824 -8.867 -15.729 1.00 0.00 C ATOM 619 CD GLU A 37 -9.644 -10.097 -16.169 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.047 -11.163 -16.448 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.889 -9.992 -16.272 1.00 0.00 O ATOM 0 H GLU A 37 -7.569 -8.687 -11.951 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.901 -7.508 -14.467 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.996 -9.793 -13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.485 -8.915 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.365 -7.957 -15.988 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.881 -8.843 -16.275 1.00 0.00 H new ATOM 628 N LYS A 38 -9.304 -6.083 -12.721 1.00 0.00 N ATOM 629 CA LYS A 38 -10.051 -4.833 -12.527 1.00 0.00 C ATOM 630 C LYS A 38 -9.141 -3.690 -12.127 1.00 0.00 C ATOM 631 O LYS A 38 -9.301 -2.600 -12.661 1.00 0.00 O ATOM 632 CB LYS A 38 -11.143 -4.985 -11.451 1.00 0.00 C ATOM 633 CG LYS A 38 -12.386 -5.754 -11.917 1.00 0.00 C ATOM 634 CD LYS A 38 -12.286 -7.274 -11.768 1.00 0.00 C ATOM 635 CE LYS A 38 -12.460 -7.726 -10.310 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.692 -8.543 -10.137 1.00 0.00 N ATOM 0 H LYS A 38 -9.374 -6.718 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.514 -4.607 -13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.717 -5.496 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.448 -3.993 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.248 -5.402 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.573 -5.516 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.047 -7.749 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.318 -7.611 -12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.591 -8.307 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.507 -6.852 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.844 -8.732 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.509 -8.025 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.585 -9.444 -10.645 1.00 0.00 H new ATOM 650 N HIS A 39 -8.192 -3.920 -11.216 1.00 0.00 N ATOM 651 CA HIS A 39 -7.399 -2.899 -10.543 1.00 0.00 C ATOM 652 C HIS A 39 -6.782 -1.846 -11.470 1.00 0.00 C ATOM 653 O HIS A 39 -6.850 -0.653 -11.176 1.00 0.00 O ATOM 654 CB HIS A 39 -6.304 -3.635 -9.792 1.00 0.00 C ATOM 655 CG HIS A 39 -6.684 -4.189 -8.453 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.752 -4.423 -7.440 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.936 -4.523 -8.022 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.487 -4.881 -6.406 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.795 -4.931 -6.719 1.00 0.00 N ATOM 0 H HIS A 39 -7.948 -4.864 -10.918 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.061 -2.330 -9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.952 -4.456 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.463 -2.954 -9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.852 -4.476 -8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.078 -5.171 -5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.549 -5.221 -6.097 1.00 0.00 H new ATOM 667 N ILE A 40 -6.208 -2.285 -12.592 1.00 0.00 N ATOM 668 CA ILE A 40 -5.564 -1.381 -13.562 1.00 0.00 C ATOM 669 C ILE A 40 -6.565 -0.462 -14.270 1.00 0.00 C ATOM 670 O ILE A 40 -6.245 0.696 -14.524 1.00 0.00 O ATOM 671 CB ILE A 40 -4.722 -2.187 -14.578 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.594 -2.921 -13.823 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.134 -1.284 -15.679 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.697 -3.771 -14.721 1.00 0.00 C ATOM 0 H ILE A 40 -6.173 -3.269 -12.858 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.898 -0.728 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.372 -2.910 -15.072 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.979 -2.185 -13.304 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.038 -3.561 -13.060 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.549 -1.889 -16.372 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.944 -0.794 -16.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.492 -0.529 -15.226 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.930 -4.254 -14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.298 -4.531 -15.220 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.223 -3.135 -15.468 1.00 0.00 H new ATOM 686 N GLU A 41 -7.784 -0.924 -14.551 1.00 0.00 N ATOM 687 CA GLU A 41 -8.852 -0.046 -15.046 1.00 0.00 C ATOM 688 C GLU A 41 -9.518 0.742 -13.908 1.00 0.00 C ATOM 689 O GLU A 41 -9.925 1.885 -14.107 1.00 0.00 O ATOM 690 CB GLU A 41 -9.875 -0.847 -15.865 1.00 0.00 C ATOM 691 CG GLU A 41 -9.248 -1.363 -17.171 1.00 0.00 C ATOM 692 CD GLU A 41 -10.308 -1.980 -18.103 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.960 -1.227 -18.868 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.486 -3.222 -18.096 1.00 0.00 O ATOM 0 H GLU A 41 -8.059 -1.900 -14.445 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.399 0.692 -15.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.241 -1.688 -15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.736 -0.219 -16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.746 -0.542 -17.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.487 -2.109 -16.940 1.00 0.00 H new ATOM 701 N TRP A 42 -9.575 0.179 -12.700 1.00 0.00 N ATOM 702 CA TRP A 42 -10.106 0.806 -11.485 1.00 0.00 C ATOM 703 C TRP A 42 -9.424 2.122 -11.054 1.00 0.00 C ATOM 704 O TRP A 42 -10.145 3.026 -10.633 1.00 0.00 O ATOM 705 CB TRP A 42 -10.157 -0.275 -10.385 1.00 0.00 C ATOM 706 CG TRP A 42 -11.417 -1.083 -10.293 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.441 -1.078 -11.180 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.792 -2.052 -9.263 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.438 -1.930 -10.745 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.085 -2.572 -9.578 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.158 -2.568 -8.110 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.718 -3.547 -8.792 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.783 -3.553 -7.319 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.057 -4.040 -7.655 1.00 0.00 C ATOM 0 H TRP A 42 -9.238 -0.769 -12.533 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.112 1.166 -11.699 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.324 -0.960 -10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.993 0.210 -9.423 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.473 -0.496 -12.089 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.326 -2.067 -11.228 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.181 -2.202 -7.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.699 -3.913 -9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.277 -3.937 -6.446 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.528 -4.793 -7.040 1.00 0.00 H new ATOM 725 N LEU A 43 -8.103 2.318 -11.219 1.00 0.00 N ATOM 726 CA LEU A 43 -7.492 3.657 -11.080 1.00 0.00 C ATOM 727 C LEU A 43 -7.568 4.508 -12.363 1.00 0.00 C ATOM 728 O LEU A 43 -7.768 5.714 -12.269 1.00 0.00 O ATOM 729 CB LEU A 43 -6.090 3.580 -10.466 1.00 0.00 C ATOM 730 CG LEU A 43 -4.934 3.315 -11.435 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.655 3.763 -10.758 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.788 1.843 -11.799 1.00 0.00 C ATOM 0 H LEU A 43 -7.442 1.575 -11.447 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.106 4.206 -10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.892 4.518 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.090 2.793 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.137 3.860 -12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.810 3.587 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.719 4.826 -10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.514 3.198 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.952 1.720 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.603 1.262 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.705 1.493 -12.274 1.00 0.00 H new ATOM 744 N GLU A 44 -7.476 3.922 -13.562 1.00 0.00 N ATOM 745 CA GLU A 44 -7.525 4.654 -14.834 1.00 0.00 C ATOM 746 C GLU A 44 -8.882 5.341 -15.053 1.00 0.00 C ATOM 747 O GLU A 44 -8.945 6.463 -15.557 1.00 0.00 O ATOM 748 CB GLU A 44 -7.244 3.661 -15.972 1.00 0.00 C ATOM 749 CG GLU A 44 -5.919 3.910 -16.703 1.00 0.00 C ATOM 750 CD GLU A 44 -5.968 5.183 -17.571 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.555 5.143 -18.679 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.401 6.223 -17.158 1.00 0.00 O ATOM 0 H GLU A 44 -7.364 2.915 -13.678 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.772 5.442 -14.815 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.238 2.650 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.060 3.710 -16.693 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.114 3.999 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.685 3.051 -17.332 1.00 0.00 H new ATOM 759 N THR A 45 -9.962 4.691 -14.602 1.00 0.00 N ATOM 760 CA THR A 45 -11.320 5.231 -14.529 1.00 0.00 C ATOM 761 C THR A 45 -11.372 6.592 -13.823 1.00 0.00 C ATOM 762 O THR A 45 -12.101 7.490 -14.246 1.00 0.00 O ATOM 763 CB THR A 45 -12.246 4.220 -13.835 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.385 3.060 -14.629 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.658 4.744 -13.578 1.00 0.00 C ATOM 0 H THR A 45 -9.907 3.730 -14.263 1.00 0.00 H new ATOM 0 HA THR A 45 -11.665 5.397 -15.550 1.00 0.00 H new ATOM 0 HB THR A 45 -11.770 4.016 -12.876 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.574 2.515 -14.557 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.249 3.971 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.608 5.625 -12.939 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.126 5.010 -14.526 1.00 0.00 H new ATOM 773 N ILE A 46 -10.576 6.758 -12.760 1.00 0.00 N ATOM 774 CA ILE A 46 -10.513 7.997 -11.961 1.00 0.00 C ATOM 775 C ILE A 46 -9.800 9.142 -12.695 1.00 0.00 C ATOM 776 O ILE A 46 -10.222 10.299 -12.620 1.00 0.00 O ATOM 777 CB ILE A 46 -9.809 7.759 -10.600 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.176 6.429 -9.913 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.085 8.922 -9.632 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.673 6.207 -9.643 1.00 0.00 C ATOM 0 H ILE A 46 -9.948 6.029 -12.423 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.549 8.290 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.747 7.702 -10.840 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.812 5.609 -10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.643 6.372 -8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.581 8.734 -8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.711 9.851 -10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.158 9.007 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.816 5.242 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.047 6.999 -8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.219 6.223 -10.586 1.00 0.00 H new ATOM 792 N LEU A 47 -8.703 8.822 -13.384 1.00 0.00 N ATOM 793 CA LEU A 47 -7.737 9.797 -13.901 1.00 0.00 C ATOM 794 C LEU A 47 -8.248 10.659 -15.071 1.00 0.00 C ATOM 795 O LEU A 47 -7.780 11.788 -15.240 1.00 0.00 O ATOM 796 CB LEU A 47 -6.432 9.077 -14.289 1.00 0.00 C ATOM 797 CG LEU A 47 -5.703 8.390 -13.117 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.448 7.684 -13.624 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.318 9.367 -12.004 1.00 0.00 C ATOM 0 H LEU A 47 -8.455 7.857 -13.604 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.561 10.503 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.658 8.328 -15.048 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.756 9.800 -14.746 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.401 7.668 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.940 7.202 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.727 6.932 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.780 8.413 -14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.808 8.827 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.654 10.133 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.217 9.838 -11.606 1.00 0.00 H new ATOM 811 N GLY A 48 -9.215 10.166 -15.853 1.00 0.00 N ATOM 812 CA GLY A 48 -9.794 10.896 -16.990 1.00 0.00 C ATOM 813 C GLY A 48 -8.783 11.249 -18.096 1.00 0.00 C ATOM 814 O GLY A 48 -7.767 10.580 -18.290 1.00 0.00 O ATOM 0 H GLY A 48 -9.622 9.241 -15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.594 10.295 -17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.249 11.816 -16.623 1.00 0.00 H new HETATM 818 N NH2 A 49 -9.058 12.296 -18.862 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.695 -19.110 -4.847 1.00 0.00 C HETATM 823 O ACE B 0 9.974 -18.308 -4.265 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.408 -20.591 -4.767 1.00 0.00 C HETATM 0 H1 ACE B 0 10.230 -20.982 -5.769 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.262 -21.104 -4.324 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.525 -20.758 -4.151 1.00 0.00 H new ATOM 828 N ASP B 1 11.740 -18.746 -5.587 1.00 0.00 N ATOM 829 CA ASP B 1 12.218 -17.360 -5.755 1.00 0.00 C ATOM 830 C ASP B 1 11.138 -16.373 -6.235 1.00 0.00 C ATOM 831 O ASP B 1 11.152 -15.191 -5.883 1.00 0.00 O ATOM 832 CB ASP B 1 13.393 -17.375 -6.740 1.00 0.00 C ATOM 833 CG ASP B 1 14.124 -16.023 -6.802 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.773 -15.640 -5.797 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.083 -15.358 -7.865 1.00 0.00 O ATOM 0 H ASP B 1 12.300 -19.422 -6.106 1.00 0.00 H new ATOM 0 HA ASP B 1 12.521 -17.000 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.098 -18.153 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.027 -17.633 -7.734 1.00 0.00 H new ATOM 840 N TYR B 2 10.161 -16.883 -6.989 1.00 0.00 N ATOM 841 CA TYR B 2 8.979 -16.146 -7.455 1.00 0.00 C ATOM 842 C TYR B 2 8.229 -15.451 -6.319 1.00 0.00 C ATOM 843 O TYR B 2 7.767 -14.328 -6.477 1.00 0.00 O ATOM 844 CB TYR B 2 7.982 -17.095 -8.144 1.00 0.00 C ATOM 845 CG TYR B 2 8.577 -18.240 -8.936 1.00 0.00 C ATOM 846 CD1 TYR B 2 9.409 -17.983 -10.040 1.00 0.00 C ATOM 847 CD2 TYR B 2 8.302 -19.566 -8.551 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.970 -19.053 -10.760 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.856 -20.639 -9.271 1.00 0.00 C ATOM 850 CZ TYR B 2 9.695 -20.388 -10.379 1.00 0.00 C ATOM 851 OH TYR B 2 10.234 -21.430 -11.070 1.00 0.00 O ATOM 0 H TYR B 2 10.169 -17.853 -7.304 1.00 0.00 H new ATOM 0 HA TYR B 2 9.357 -15.395 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.325 -17.513 -7.381 1.00 0.00 H new ATOM 0 HB3 TYR B 2 7.357 -16.505 -8.814 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.617 -16.965 -10.335 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.664 -19.759 -7.701 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.612 -18.855 -11.606 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.640 -21.655 -8.977 1.00 0.00 H new ATOM 0 HH TYR B 2 9.940 -22.275 -10.670 1.00 0.00 H new ATOM 861 N LEU B 3 8.104 -16.120 -5.172 1.00 0.00 N ATOM 862 CA LEU B 3 7.334 -15.649 -4.020 1.00 0.00 C ATOM 863 C LEU B 3 7.936 -14.356 -3.460 1.00 0.00 C ATOM 864 O LEU B 3 7.215 -13.384 -3.250 1.00 0.00 O ATOM 865 CB LEU B 3 7.291 -16.760 -2.956 1.00 0.00 C ATOM 866 CG LEU B 3 6.599 -18.052 -3.439 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.936 -19.198 -2.489 1.00 0.00 C ATOM 868 CD2 LEU B 3 5.079 -17.886 -3.515 1.00 0.00 C ATOM 0 H LEU B 3 8.546 -17.026 -5.015 1.00 0.00 H new ATOM 0 HA LEU B 3 6.314 -15.420 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.310 -16.997 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.770 -16.387 -2.074 1.00 0.00 H new ATOM 0 HG LEU B 3 6.965 -18.272 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.447 -20.110 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU B 3 8.015 -19.350 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.587 -18.953 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.628 -18.817 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.690 -17.638 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.835 -17.085 -4.213 1.00 0.00 H new ATOM 880 N ARG B 4 9.267 -14.300 -3.311 1.00 0.00 N ATOM 881 CA ARG B 4 9.985 -13.075 -2.924 1.00 0.00 C ATOM 882 C ARG B 4 9.761 -11.941 -3.931 1.00 0.00 C ATOM 883 O ARG B 4 9.524 -10.806 -3.526 1.00 0.00 O ATOM 884 CB ARG B 4 11.478 -13.394 -2.728 1.00 0.00 C ATOM 885 CG ARG B 4 12.244 -12.220 -2.093 1.00 0.00 C ATOM 886 CD ARG B 4 13.735 -12.531 -1.886 1.00 0.00 C ATOM 887 NE ARG B 4 13.964 -13.634 -0.927 1.00 0.00 N ATOM 888 CZ ARG B 4 13.981 -13.563 0.394 1.00 0.00 C ATOM 889 NH1 ARG B 4 13.764 -12.452 1.040 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.223 -14.629 1.103 1.00 0.00 N ATOM 0 H ARG B 4 9.878 -15.104 -3.455 1.00 0.00 H new ATOM 0 HA ARG B 4 9.583 -12.716 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.579 -14.276 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.925 -13.639 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.145 -11.340 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.791 -11.972 -1.133 1.00 0.00 H new ATOM 0 HD2 ARG B 4 14.184 -12.791 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG B 4 14.242 -11.635 -1.529 1.00 0.00 H new ATOM 0 HE ARG B 4 14.128 -14.556 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG B 4 13.572 -11.592 0.526 1.00 0.00 H new ATOM 0 HH12 ARG B 4 13.787 -12.442 2.060 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.400 -15.520 0.640 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.236 -14.572 2.121 1.00 0.00 H new ATOM 904 N GLU B 5 9.781 -12.246 -5.230 1.00 0.00 N ATOM 905 CA GLU B 5 9.504 -11.268 -6.297 1.00 0.00 C ATOM 906 C GLU B 5 8.041 -10.768 -6.286 1.00 0.00 C ATOM 907 O GLU B 5 7.779 -9.597 -6.565 1.00 0.00 O ATOM 908 CB GLU B 5 9.896 -11.892 -7.647 1.00 0.00 C ATOM 909 CG GLU B 5 9.823 -10.906 -8.819 1.00 0.00 C ATOM 910 CD GLU B 5 10.405 -11.533 -10.102 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.686 -12.295 -10.793 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.583 -11.259 -10.435 1.00 0.00 O ATOM 0 H GLU B 5 9.990 -13.182 -5.578 1.00 0.00 H new ATOM 0 HA GLU B 5 10.106 -10.376 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.910 -12.286 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.239 -12.738 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.787 -10.614 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.373 -9.998 -8.571 1.00 0.00 H new ATOM 919 N LEU B 6 7.094 -11.635 -5.918 1.00 0.00 N ATOM 920 CA LEU B 6 5.662 -11.353 -5.769 1.00 0.00 C ATOM 921 C LEU B 6 5.360 -10.451 -4.561 1.00 0.00 C ATOM 922 O LEU B 6 4.787 -9.370 -4.717 1.00 0.00 O ATOM 923 CB LEU B 6 4.921 -12.710 -5.665 1.00 0.00 C ATOM 924 CG LEU B 6 4.196 -13.096 -6.959 1.00 0.00 C ATOM 925 CD1 LEU B 6 5.080 -13.156 -8.210 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.538 -14.472 -6.821 1.00 0.00 C ATOM 0 H LEU B 6 7.317 -12.607 -5.704 1.00 0.00 H new ATOM 0 HA LEU B 6 5.313 -10.796 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.638 -13.491 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.198 -12.662 -4.850 1.00 0.00 H new ATOM 0 HG LEU B 6 3.471 -12.294 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.474 -13.437 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.528 -12.178 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.868 -13.895 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.029 -14.727 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.301 -15.221 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.815 -14.449 -6.006 1.00 0.00 H new ATOM 938 N LEU B 7 5.769 -10.878 -3.363 1.00 0.00 N ATOM 939 CA LEU B 7 5.631 -10.117 -2.112 1.00 0.00 C ATOM 940 C LEU B 7 6.273 -8.714 -2.181 1.00 0.00 C ATOM 941 O LEU B 7 5.669 -7.739 -1.720 1.00 0.00 O ATOM 942 CB LEU B 7 6.212 -10.908 -0.915 1.00 0.00 C ATOM 943 CG LEU B 7 5.222 -11.890 -0.242 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.529 -13.354 -0.550 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.265 -11.747 1.281 1.00 0.00 C ATOM 0 H LEU B 7 6.217 -11.785 -3.230 1.00 0.00 H new ATOM 0 HA LEU B 7 4.561 -9.972 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.082 -11.469 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.564 -10.199 -0.166 1.00 0.00 H new ATOM 0 HG LEU B 7 4.244 -11.630 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.800 -13.992 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.477 -13.518 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.530 -13.599 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.561 -12.447 1.732 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.272 -11.964 1.638 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.993 -10.729 1.559 1.00 0.00 H new ATOM 957 N LYS B 8 7.474 -8.596 -2.767 1.00 0.00 N ATOM 958 CA LYS B 8 8.215 -7.334 -2.965 1.00 0.00 C ATOM 959 C LYS B 8 7.575 -6.459 -4.055 1.00 0.00 C ATOM 960 O LYS B 8 8.065 -6.380 -5.185 1.00 0.00 O ATOM 961 CB LYS B 8 9.686 -7.659 -3.265 1.00 0.00 C ATOM 962 CG LYS B 8 10.615 -6.430 -3.251 1.00 0.00 C ATOM 963 CD LYS B 8 11.981 -6.704 -3.903 1.00 0.00 C ATOM 964 CE LYS B 8 12.799 -7.767 -3.156 1.00 0.00 C ATOM 965 NZ LYS B 8 14.128 -7.969 -3.795 1.00 0.00 N ATOM 0 H LYS B 8 7.977 -9.405 -3.131 1.00 0.00 H new ATOM 0 HA LYS B 8 8.168 -6.744 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS B 8 10.045 -8.381 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.750 -8.139 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.128 -5.607 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.768 -6.108 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.828 -7.028 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.551 -5.776 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.934 -7.463 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.251 -8.709 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.659 -8.692 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.997 -8.282 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.658 -7.074 -3.784 1.00 0.00 H new ATOM 979 N GLY B 9 6.467 -5.801 -3.716 1.00 0.00 N ATOM 980 CA GLY B 9 5.825 -4.810 -4.565 1.00 0.00 C ATOM 981 C GLY B 9 4.319 -4.669 -4.450 1.00 0.00 C ATOM 982 O GLY B 9 3.787 -3.583 -4.662 1.00 0.00 O ATOM 0 H GLY B 9 5.986 -5.947 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.272 -3.840 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.064 -5.048 -5.602 1.00 0.00 H new ATOM 986 N GLU B 10 3.629 -5.725 -4.037 1.00 0.00 N ATOM 987 CA GLU B 10 2.213 -5.637 -3.659 1.00 0.00 C ATOM 988 C GLU B 10 2.037 -4.621 -2.510 1.00 0.00 C ATOM 989 O GLU B 10 1.171 -3.751 -2.568 1.00 0.00 O ATOM 990 CB GLU B 10 1.731 -7.039 -3.257 1.00 0.00 C ATOM 991 CG GLU B 10 1.607 -8.047 -4.416 1.00 0.00 C ATOM 992 CD GLU B 10 0.301 -7.868 -5.187 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.004 -6.895 -5.903 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.749 -8.523 -5.033 1.00 0.00 O ATOM 0 H GLU B 10 4.025 -6.661 -3.953 1.00 0.00 H new ATOM 0 HA GLU B 10 1.612 -5.285 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.420 -7.444 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.760 -6.947 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.450 -7.924 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.660 -9.062 -4.022 1.00 0.00 H new ATOM 1001 N LEU B 11 2.946 -4.649 -1.527 1.00 0.00 N ATOM 1002 CA LEU B 11 3.061 -3.704 -0.413 1.00 0.00 C ATOM 1003 C LEU B 11 3.377 -2.273 -0.886 1.00 0.00 C ATOM 1004 O LEU B 11 2.793 -1.300 -0.408 1.00 0.00 O ATOM 1005 CB LEU B 11 4.086 -4.338 0.565 1.00 0.00 C ATOM 1006 CG LEU B 11 5.084 -3.396 1.249 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.441 -2.530 2.332 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.215 -4.200 1.893 1.00 0.00 C ATOM 0 H LEU B 11 3.662 -5.375 -1.487 1.00 0.00 H new ATOM 0 HA LEU B 11 2.117 -3.555 0.111 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.530 -4.862 1.343 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.654 -5.090 0.017 1.00 0.00 H new ATOM 0 HG LEU B 11 5.464 -2.740 0.466 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.198 -1.885 2.779 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.657 -1.916 1.889 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.010 -3.170 3.101 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.917 -3.519 2.375 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.800 -4.880 2.637 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.735 -4.774 1.126 1.00 0.00 H new ATOM 1020 N GLN B 12 4.246 -2.158 -1.889 1.00 0.00 N ATOM 1021 CA GLN B 12 4.613 -0.902 -2.546 1.00 0.00 C ATOM 1022 C GLN B 12 3.418 -0.271 -3.289 1.00 0.00 C ATOM 1023 O GLN B 12 3.366 0.946 -3.457 1.00 0.00 O ATOM 1024 CB GLN B 12 5.823 -1.152 -3.466 1.00 0.00 C ATOM 1025 CG GLN B 12 6.580 0.126 -3.856 1.00 0.00 C ATOM 1026 CD GLN B 12 7.882 -0.205 -4.588 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.919 -0.458 -3.987 1.00 0.00 O ATOM 1028 NE2 GLN B 12 7.888 -0.237 -5.905 1.00 0.00 N ATOM 0 H GLN B 12 4.732 -2.965 -2.281 1.00 0.00 H new ATOM 0 HA GLN B 12 4.901 -0.170 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.512 -1.833 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.481 -1.652 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.949 0.746 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.800 0.709 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.035 -0.029 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.746 -0.469 -6.406 1.00 0.00 H new ATOM 1037 N GLY B 13 2.420 -1.083 -3.661 1.00 0.00 N ATOM 1038 CA GLY B 13 1.134 -0.637 -4.193 1.00 0.00 C ATOM 1039 C GLY B 13 0.166 -0.220 -3.084 1.00 0.00 C ATOM 1040 O GLY B 13 -0.410 0.865 -3.171 1.00 0.00 O ATOM 0 H GLY B 13 2.491 -2.098 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.294 0.203 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.687 -1.439 -4.781 1.00 0.00 H new ATOM 1044 N ILE B 14 0.041 -1.016 -2.005 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.861 -0.705 -0.870 1.00 0.00 C ATOM 1046 C ILE B 14 -0.578 0.706 -0.337 1.00 0.00 C ATOM 1047 O ILE B 14 -1.487 1.527 -0.195 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.713 -1.713 0.306 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.137 -3.145 -0.061 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.533 -1.278 1.541 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.701 -4.216 0.949 1.00 0.00 C ATOM 0 H ILE B 14 0.557 -1.888 -1.892 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.878 -0.776 -1.257 1.00 0.00 H new ATOM 0 HB ILE B 14 0.352 -1.711 0.537 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.222 -3.176 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.722 -3.394 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.403 -2.008 2.340 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.188 -0.302 1.882 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.588 -1.217 1.274 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.042 -5.195 0.611 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.386 -4.218 1.030 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.137 -3.996 1.923 1.00 0.00 H new ATOM 1063 N LYS B 15 0.698 0.984 -0.039 1.00 0.00 N ATOM 1064 CA LYS B 15 1.111 2.200 0.670 1.00 0.00 C ATOM 1065 C LYS B 15 0.971 3.472 -0.168 1.00 0.00 C ATOM 1066 O LYS B 15 0.630 4.528 0.363 1.00 0.00 O ATOM 1067 CB LYS B 15 2.534 1.998 1.221 1.00 0.00 C ATOM 1068 CG LYS B 15 2.988 3.187 2.084 1.00 0.00 C ATOM 1069 CD LYS B 15 4.242 2.847 2.902 1.00 0.00 C ATOM 1070 CE LYS B 15 4.835 4.080 3.607 1.00 0.00 C ATOM 1071 NZ LYS B 15 3.895 4.691 4.587 1.00 0.00 N ATOM 0 H LYS B 15 1.474 0.369 -0.284 1.00 0.00 H new ATOM 0 HA LYS B 15 0.428 2.359 1.504 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.567 1.085 1.815 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.229 1.865 0.392 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.193 4.045 1.443 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.182 3.477 2.757 1.00 0.00 H new ATOM 0 HD2 LYS B 15 3.993 2.091 3.647 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.994 2.411 2.245 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.753 3.793 4.121 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.108 4.825 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.345 5.516 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 3.029 4.992 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.654 3.992 5.319 1.00 0.00 H new ATOM 1085 N GLN B 16 1.172 3.372 -1.481 1.00 0.00 N ATOM 1086 CA GLN B 16 1.051 4.491 -2.408 1.00 0.00 C ATOM 1087 C GLN B 16 -0.402 4.847 -2.710 1.00 0.00 C ATOM 1088 O GLN B 16 -0.730 6.026 -2.862 1.00 0.00 O ATOM 1089 CB GLN B 16 1.800 4.161 -3.702 1.00 0.00 C ATOM 1090 CG GLN B 16 3.309 4.444 -3.580 1.00 0.00 C ATOM 1091 CD GLN B 16 3.926 4.954 -4.884 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.710 4.428 -5.964 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.709 6.012 -4.829 1.00 0.00 N ATOM 0 H GLN B 16 1.428 2.496 -1.936 1.00 0.00 H new ATOM 0 HA GLN B 16 1.494 5.366 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.647 3.111 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.386 4.748 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.473 5.181 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.821 3.532 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.898 6.461 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.127 6.382 -5.683 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.293 3.856 -2.722 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.719 4.110 -2.901 1.00 0.00 C ATOM 1104 C TYR B 17 -3.333 4.983 -1.806 1.00 0.00 C ATOM 1105 O TYR B 17 -4.277 5.727 -2.085 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.479 2.791 -3.018 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.602 2.298 -4.445 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -4.111 3.120 -5.474 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -3.188 0.993 -4.735 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -4.164 2.635 -6.796 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -3.215 0.511 -6.053 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.711 1.329 -7.088 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.864 0.803 -8.332 1.00 0.00 O ATOM 0 H TYR B 17 -1.051 2.871 -2.610 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.813 4.677 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.972 2.033 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.476 2.915 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.459 4.117 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.845 0.351 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.551 3.262 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.857 -0.484 -6.273 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.494 -0.104 -8.351 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.785 4.957 -0.582 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.290 5.840 0.483 1.00 0.00 C ATOM 1125 C ARG B 18 -3.000 7.329 0.230 1.00 0.00 C ATOM 1126 O ARG B 18 -3.796 8.181 0.619 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.814 5.387 1.876 1.00 0.00 C ATOM 1128 CG ARG B 18 -4.008 4.886 2.710 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.680 4.710 4.196 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.702 3.632 4.444 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.198 3.301 5.621 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.522 3.931 6.716 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -1.349 2.319 5.725 1.00 0.00 N ATOM 0 H ARG B 18 -2.012 4.351 -0.308 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.376 5.744 0.461 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.073 4.594 1.775 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.325 6.216 2.389 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.834 5.590 2.609 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.350 3.933 2.306 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.288 5.648 4.590 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -4.598 4.494 4.743 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.387 3.095 3.636 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.184 4.706 6.682 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.113 3.648 7.607 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.068 1.798 4.894 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -0.965 2.071 6.637 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.910 7.647 -0.472 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.613 9.007 -0.962 1.00 0.00 C ATOM 1149 C GLU B 19 -2.450 9.371 -2.204 1.00 0.00 C ATOM 1150 O GLU B 19 -2.865 10.518 -2.370 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.114 9.124 -1.302 1.00 0.00 C ATOM 1152 CG GLU B 19 0.590 10.173 -0.434 1.00 0.00 C ATOM 1153 CD GLU B 19 2.072 10.318 -0.833 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.919 9.537 -0.333 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.404 11.222 -1.638 1.00 0.00 O ATOM 0 H GLU B 19 -1.196 6.963 -0.722 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.874 9.705 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.366 8.156 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.000 9.387 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.086 11.134 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.519 9.888 0.616 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.736 8.392 -3.064 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.555 8.560 -4.263 1.00 0.00 C ATOM 1164 C ALA B 20 -5.020 8.917 -3.938 1.00 0.00 C ATOM 1165 O ALA B 20 -5.628 9.702 -4.665 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.410 7.304 -5.126 1.00 0.00 C ATOM 0 H ALA B 20 -2.396 7.438 -2.942 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.196 9.418 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.014 7.410 -6.027 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.364 7.172 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.748 6.434 -4.562 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.568 8.435 -2.815 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.877 8.867 -2.303 1.00 0.00 C ATOM 1174 C LEU B 21 -6.914 10.347 -1.915 1.00 0.00 C ATOM 1175 O LEU B 21 -7.950 10.980 -2.091 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.285 7.984 -1.113 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.673 8.261 -0.503 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.803 7.867 -1.445 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.857 7.443 0.773 1.00 0.00 C ATOM 0 H LEU B 21 -5.114 7.731 -2.233 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.595 8.749 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.253 6.942 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.537 8.100 -0.329 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.715 9.332 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.762 8.080 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.720 8.436 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.737 6.802 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.841 7.646 1.196 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.774 6.381 0.540 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.088 7.717 1.495 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.822 10.938 -1.429 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.836 12.368 -1.073 1.00 0.00 C ATOM 1193 C GLU B 22 -6.078 13.279 -2.292 1.00 0.00 C ATOM 1194 O GLU B 22 -6.707 14.332 -2.169 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.544 12.765 -0.336 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.725 12.812 1.187 1.00 0.00 C ATOM 1197 CD GLU B 22 -5.505 14.067 1.631 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -6.759 14.054 1.584 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -4.870 15.074 2.030 1.00 0.00 O ATOM 0 H GLU B 22 -4.931 10.466 -1.273 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.679 12.516 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.756 12.054 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.214 13.742 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.254 11.919 1.518 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.748 12.801 1.670 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.645 12.845 -3.479 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.898 13.522 -4.757 1.00 0.00 C ATOM 1208 C TYR B 23 -7.333 13.383 -5.313 1.00 0.00 C ATOM 1209 O TYR B 23 -7.696 14.141 -6.217 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.873 13.035 -5.796 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.720 14.002 -5.975 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.568 13.895 -5.173 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.825 15.035 -6.927 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.514 14.817 -5.327 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -2.774 15.959 -7.085 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.615 15.852 -6.285 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.606 16.753 -6.441 1.00 0.00 O ATOM 0 H TYR B 23 -5.095 11.992 -3.582 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.787 14.587 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.484 12.064 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.373 12.890 -6.754 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.492 13.106 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -4.713 15.118 -7.537 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.629 14.733 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -2.854 16.749 -7.817 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.845 17.393 -7.144 1.00 0.00 H new ATOM 1227 N THR B 24 -8.152 12.445 -4.817 1.00 0.00 N ATOM 1228 CA THR B 24 -9.406 12.031 -5.499 1.00 0.00 C ATOM 1229 C THR B 24 -10.616 11.891 -4.565 1.00 0.00 C ATOM 1230 O THR B 24 -11.751 12.151 -4.964 1.00 0.00 O ATOM 1231 CB THR B 24 -9.206 10.691 -6.238 1.00 0.00 C ATOM 1232 OG1 THR B 24 -9.132 9.634 -5.305 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.939 10.631 -7.098 1.00 0.00 C ATOM 0 H THR B 24 -7.975 11.951 -3.942 1.00 0.00 H new ATOM 0 HA THR B 24 -9.625 12.839 -6.197 1.00 0.00 H new ATOM 0 HB THR B 24 -10.066 10.599 -6.902 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.193 9.401 -5.148 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.874 9.657 -7.582 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.977 11.412 -7.857 1.00 0.00 H new ATOM 0 HG23 THR B 24 -7.063 10.781 -6.467 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.374 11.491 -3.314 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.332 11.012 -2.306 1.00 0.00 C ATOM 1243 C HIS B 25 -12.340 9.929 -2.794 1.00 0.00 C ATOM 1244 O HIS B 25 -13.361 9.695 -2.144 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.945 12.209 -1.551 1.00 0.00 C ATOM 1246 CG HIS B 25 -11.028 12.638 -0.430 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.061 12.146 0.864 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.902 13.406 -0.555 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.972 12.603 1.512 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.262 13.383 0.674 1.00 0.00 N ATOM 0 H HIS B 25 -9.423 11.493 -2.946 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.769 10.430 -1.577 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -12.105 13.039 -2.239 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.920 11.935 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.575 13.929 -1.441 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.711 12.380 2.536 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.398 13.874 0.905 1.00 0.00 H new ATOM 1259 N ASN B 26 -12.080 9.256 -3.926 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.951 8.224 -4.524 1.00 0.00 C ATOM 1261 C ASN B 26 -13.011 6.919 -3.691 1.00 0.00 C ATOM 1262 O ASN B 26 -11.985 6.490 -3.160 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.453 7.932 -5.958 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.039 8.874 -6.997 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -12.624 10.010 -7.150 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -14.019 8.435 -7.755 1.00 0.00 N ATOM 0 H ASN B 26 -11.232 9.418 -4.470 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.970 8.612 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.366 8.007 -5.981 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.707 6.906 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.427 9.044 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -14.372 7.486 -7.633 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.156 6.201 -3.652 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.269 4.907 -2.962 1.00 0.00 C ATOM 1275 C PRO B 27 -13.461 3.792 -3.644 1.00 0.00 C ATOM 1276 O PRO B 27 -13.112 2.788 -3.022 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.770 4.583 -2.959 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.288 5.282 -4.215 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.424 6.542 -4.290 1.00 0.00 C ATOM 0 HA PRO B 27 -13.855 4.970 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.949 3.508 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.260 4.958 -2.060 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.170 4.659 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.348 5.524 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.270 6.848 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.906 7.376 -3.779 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.140 3.964 -4.930 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.377 2.986 -5.717 1.00 0.00 C ATOM 1289 C VAL B 28 -10.924 2.870 -5.242 1.00 0.00 C ATOM 1290 O VAL B 28 -10.453 1.751 -5.055 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.455 3.284 -7.223 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -12.171 2.004 -7.994 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.829 3.787 -7.695 1.00 0.00 C ATOM 0 H VAL B 28 -13.404 4.794 -5.461 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.845 2.015 -5.551 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.725 4.072 -7.407 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.224 2.204 -9.064 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.175 1.641 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.911 1.248 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.799 3.973 -8.769 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.586 3.034 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.077 4.711 -7.173 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.240 3.983 -4.929 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.924 3.980 -4.282 1.00 0.00 C ATOM 1305 C LEU B 29 -8.888 3.086 -3.027 1.00 0.00 C ATOM 1306 O LEU B 29 -7.910 2.364 -2.816 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.566 5.441 -3.944 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.929 6.286 -5.061 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.520 5.803 -5.355 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -8.685 6.275 -6.388 1.00 0.00 C ATOM 0 H LEU B 29 -10.593 4.920 -5.122 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.186 3.555 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.476 5.945 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.883 5.433 -3.095 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.951 7.303 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -6.085 6.412 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -5.911 5.889 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.552 4.761 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -8.159 6.898 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -8.745 5.254 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -9.691 6.665 -6.237 1.00 0.00 H new ATOM 1322 N ALA B 30 -9.969 3.077 -2.235 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.100 2.199 -1.073 1.00 0.00 C ATOM 1324 C ALA B 30 -10.221 0.712 -1.466 1.00 0.00 C ATOM 1325 O ALA B 30 -9.418 -0.087 -0.992 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.269 2.666 -0.198 1.00 0.00 C ATOM 0 H ALA B 30 -10.777 3.681 -2.386 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.183 2.271 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.362 2.008 0.666 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.086 3.686 0.140 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.192 2.636 -0.777 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.143 0.322 -2.364 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.282 -1.076 -2.849 1.00 0.00 C ATOM 1334 C LYS B 31 -9.987 -1.666 -3.406 1.00 0.00 C ATOM 1335 O LYS B 31 -9.686 -2.832 -3.151 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.369 -1.168 -3.938 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.794 -1.245 -3.377 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.806 -1.355 -4.532 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.234 -1.649 -4.047 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.403 -3.062 -3.611 1.00 0.00 N ATOM 0 H LYS B 31 -11.818 0.964 -2.779 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.560 -1.659 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.291 -0.299 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.182 -2.048 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.888 -2.107 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.007 -0.359 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.805 -0.425 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.489 -2.145 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.478 -0.984 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.940 -1.432 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.382 -3.212 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.196 -3.698 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -15.749 -3.264 -2.828 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.217 -0.859 -4.130 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.955 -1.279 -4.744 1.00 0.00 C ATOM 1356 C ILE B 32 -6.959 -1.693 -3.663 1.00 0.00 C ATOM 1357 O ILE B 32 -6.579 -2.864 -3.609 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.425 -0.210 -5.714 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.388 0.103 -6.884 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.147 -0.770 -6.330 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.072 1.454 -7.546 1.00 0.00 C ATOM 0 H ILE B 32 -9.452 0.117 -4.311 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.123 -2.162 -5.360 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.287 0.711 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.322 -0.690 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.414 0.111 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.732 -0.044 -7.029 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.421 -0.972 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.374 -1.695 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.773 1.632 -8.362 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.164 2.251 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.055 1.438 -7.938 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.595 -0.785 -2.753 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.666 -1.122 -1.669 1.00 0.00 C ATOM 1375 C LEU B 33 -6.243 -2.126 -0.664 1.00 0.00 C ATOM 1376 O LEU B 33 -5.488 -2.889 -0.064 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.104 0.155 -1.028 1.00 0.00 C ATOM 1378 CG LEU B 33 -5.995 0.873 0.002 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.751 0.369 1.428 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.707 2.374 0.007 1.00 0.00 C ATOM 0 H LEU B 33 -6.925 0.180 -2.744 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.822 -1.655 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.161 -0.097 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.873 0.861 -1.826 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.024 0.666 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.402 0.904 2.119 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.967 -0.698 1.479 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.710 0.542 1.702 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.346 2.865 0.741 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.662 2.543 0.265 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.908 2.786 -0.982 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.568 -2.164 -0.509 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.242 -3.133 0.355 1.00 0.00 C ATOM 1394 C GLU B 34 -8.057 -4.569 -0.157 1.00 0.00 C ATOM 1395 O GLU B 34 -7.866 -5.484 0.646 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.727 -2.774 0.528 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.456 -3.687 1.521 1.00 0.00 C ATOM 1398 CD GLU B 34 -11.880 -3.170 1.800 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.823 -3.543 1.061 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.070 -2.395 2.770 1.00 0.00 O ATOM 0 H GLU B 34 -8.205 -1.522 -0.981 1.00 0.00 H new ATOM 0 HA GLU B 34 -7.776 -3.086 1.339 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -9.808 -1.741 0.867 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.223 -2.831 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.504 -4.700 1.122 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -9.894 -3.739 2.454 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.039 -4.785 -1.477 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.719 -6.106 -2.016 1.00 0.00 C ATOM 1409 C ASP B 35 -6.239 -6.467 -1.920 1.00 0.00 C ATOM 1410 O ASP B 35 -5.916 -7.573 -1.488 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.142 -6.222 -3.469 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.647 -6.124 -3.745 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.465 -6.567 -2.895 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.980 -5.670 -4.867 1.00 0.00 O ATOM 0 H ASP B 35 -8.239 -4.073 -2.180 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.278 -6.805 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.638 -5.440 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.784 -7.176 -3.855 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.328 -5.547 -2.253 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.886 -5.784 -2.095 1.00 0.00 C ATOM 1421 C GLU B 36 -3.495 -6.182 -0.659 1.00 0.00 C ATOM 1422 O GLU B 36 -2.516 -6.903 -0.463 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.111 -4.520 -2.482 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.337 -3.963 -3.886 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.934 -4.890 -5.019 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.334 -5.978 -4.843 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.235 -4.576 -6.193 1.00 0.00 O ATOM 0 H GLU B 36 -5.562 -4.630 -2.634 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.632 -6.617 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.361 -3.738 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.047 -4.729 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.393 -3.717 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.780 -3.031 -3.984 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.281 -5.770 0.340 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.053 -6.111 1.752 1.00 0.00 C ATOM 1436 C GLU B 37 -4.266 -7.615 2.009 1.00 0.00 C ATOM 1437 O GLU B 37 -3.570 -8.216 2.832 1.00 0.00 O ATOM 1438 CB GLU B 37 -4.965 -5.234 2.628 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.527 -5.099 4.096 1.00 0.00 C ATOM 1440 CD GLU B 37 -4.873 -6.304 4.998 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -5.998 -6.852 4.902 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.042 -6.662 5.869 1.00 0.00 O ATOM 0 H GLU B 37 -5.103 -5.184 0.192 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.015 -5.907 2.015 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.017 -4.238 2.188 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -5.973 -5.647 2.603 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.449 -4.942 4.124 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.990 -4.206 4.516 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.174 -8.238 1.246 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.423 -9.686 1.224 1.00 0.00 C ATOM 1451 C LYS B 38 -4.427 -10.412 0.334 1.00 0.00 C ATOM 1452 O LYS B 38 -3.894 -11.429 0.760 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.856 -9.972 0.739 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.918 -9.307 1.629 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.360 -9.487 1.134 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.562 -8.699 -0.168 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.982 -8.607 -0.589 1.00 0.00 N ATOM 0 H LYS B 38 -5.779 -7.728 0.602 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.301 -10.056 2.242 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.968 -9.615 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.023 -11.049 0.721 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.838 -9.716 2.636 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.701 -8.241 1.699 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.568 -10.544 0.967 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.061 -9.140 1.893 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.163 -7.693 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -8.985 -9.172 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.066 -7.940 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.317 -9.545 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.559 -8.271 0.208 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.133 -9.890 -0.863 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.332 -10.521 -1.909 1.00 0.00 C ATOM 1473 C HIS B 39 -1.996 -11.105 -1.427 1.00 0.00 C ATOM 1474 O HIS B 39 -1.655 -12.233 -1.781 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.094 -9.455 -2.977 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.246 -9.109 -3.878 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.126 -8.286 -5.001 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.546 -9.495 -3.739 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.369 -8.188 -5.502 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.232 -8.927 -4.782 1.00 0.00 N ATOM 0 H HIS B 39 -4.467 -8.967 -1.139 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.881 -11.383 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.772 -8.542 -2.476 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.264 -9.784 -3.603 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.277 -7.852 -5.363 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.955 -10.124 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.638 -7.597 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.226 -9.045 -4.978 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.261 -10.359 -0.597 1.00 0.00 N ATOM 1489 CA ILE B 40 0.052 -10.780 -0.076 1.00 0.00 C ATOM 1490 C ILE B 40 -0.048 -12.031 0.800 1.00 0.00 C ATOM 1491 O ILE B 40 0.734 -12.965 0.632 1.00 0.00 O ATOM 1492 CB ILE B 40 0.726 -9.626 0.709 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.865 -8.385 -0.193 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.114 -10.034 1.237 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.507 -7.166 0.479 1.00 0.00 C ATOM 0 H ILE B 40 -1.557 -9.442 -0.264 1.00 0.00 H new ATOM 0 HA ILE B 40 0.671 -11.033 -0.937 1.00 0.00 H new ATOM 0 HB ILE B 40 0.091 -9.393 1.564 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.458 -8.654 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.124 -8.104 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.556 -9.200 1.782 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.012 -10.890 1.904 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.758 -10.302 0.399 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.562 -6.344 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.905 -6.864 1.336 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.512 -7.423 0.814 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.015 -12.081 1.718 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.256 -13.287 2.514 1.00 0.00 C ATOM 1509 C GLU B 41 -1.951 -14.375 1.688 1.00 0.00 C ATOM 1510 O GLU B 41 -1.613 -15.547 1.814 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.021 -12.950 3.801 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.089 -12.239 4.798 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.786 -11.888 6.130 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.440 -12.766 6.743 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.649 -10.732 6.600 1.00 0.00 O ATOM 0 H GLU B 41 -1.642 -11.304 1.929 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.291 -13.695 2.813 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.874 -12.312 3.570 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.417 -13.862 4.248 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.229 -12.877 5.001 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.707 -11.325 4.342 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.834 -14.007 0.760 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.490 -14.931 -0.165 1.00 0.00 C ATOM 1524 C TRP B 42 -2.532 -15.808 -0.988 1.00 0.00 C ATOM 1525 O TRP B 42 -2.836 -16.986 -1.183 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.454 -14.125 -1.052 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.831 -13.886 -0.519 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.303 -14.248 0.697 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -6.943 -13.233 -1.201 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.639 -13.912 0.792 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.090 -13.287 -0.353 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.092 -12.591 -2.448 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.330 -12.752 -0.739 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.321 -12.024 -2.835 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.441 -12.115 -1.989 1.00 0.00 C ATOM 0 H TRP B 42 -3.119 -13.037 0.627 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.042 -15.658 0.431 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -3.997 -13.157 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.546 -14.641 -2.008 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.724 -14.726 1.473 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.221 -14.102 1.608 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.247 -12.533 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.186 -12.828 -0.086 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.404 -11.517 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.387 -11.696 -2.299 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.360 -15.308 -1.409 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.353 -16.150 -2.084 1.00 0.00 C ATOM 1548 C LEU B 43 0.614 -16.892 -1.133 1.00 0.00 C ATOM 1549 O LEU B 43 1.399 -17.727 -1.586 1.00 0.00 O ATOM 1550 CB LEU B 43 0.355 -15.357 -3.192 1.00 0.00 C ATOM 1551 CG LEU B 43 1.361 -14.329 -2.660 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.805 -14.836 -2.714 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.290 -13.052 -3.485 1.00 0.00 C ATOM 0 H LEU B 43 -1.085 -14.332 -1.296 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.898 -16.967 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.873 -16.053 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.393 -14.843 -3.795 1.00 0.00 H new ATOM 0 HG LEU B 43 1.091 -14.146 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.475 -14.069 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.897 -15.738 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU B 43 3.073 -15.063 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.008 -12.329 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.525 -13.277 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.285 -12.634 -3.423 1.00 0.00 H new ATOM 1565 N GLU B 44 0.553 -16.629 0.176 1.00 0.00 N ATOM 1566 CA GLU B 44 1.537 -17.087 1.172 1.00 0.00 C ATOM 1567 C GLU B 44 0.933 -18.075 2.189 1.00 0.00 C ATOM 1568 O GLU B 44 1.606 -19.027 2.584 1.00 0.00 O ATOM 1569 CB GLU B 44 2.157 -15.844 1.840 1.00 0.00 C ATOM 1570 CG GLU B 44 3.518 -16.055 2.521 1.00 0.00 C ATOM 1571 CD GLU B 44 3.470 -16.820 3.863 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.589 -16.530 4.708 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.362 -17.667 4.109 1.00 0.00 O ATOM 0 H GLU B 44 -0.200 -16.078 0.587 1.00 0.00 H new ATOM 0 HA GLU B 44 2.322 -17.656 0.674 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.268 -15.067 1.084 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.455 -15.467 2.584 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.169 -16.597 1.835 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.976 -15.081 2.693 1.00 0.00 H new ATOM 1580 N THR B 45 -0.359 -17.952 2.528 1.00 0.00 N ATOM 1581 CA THR B 45 -1.106 -18.905 3.373 1.00 0.00 C ATOM 1582 C THR B 45 -1.063 -20.340 2.822 1.00 0.00 C ATOM 1583 O THR B 45 -1.006 -21.301 3.591 1.00 0.00 O ATOM 1584 CB THR B 45 -2.559 -18.410 3.525 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.584 -17.213 4.274 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.512 -19.375 4.227 1.00 0.00 C ATOM 0 H THR B 45 -0.931 -17.168 2.216 1.00 0.00 H new ATOM 0 HA THR B 45 -0.626 -18.944 4.351 1.00 0.00 H new ATOM 0 HB THR B 45 -2.905 -18.289 2.498 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.316 -16.464 3.702 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.506 -18.930 4.281 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.563 -20.309 3.667 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.149 -19.576 5.235 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.003 -20.489 1.492 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.869 -21.768 0.770 1.00 0.00 C ATOM 1596 C ILE B 46 0.371 -22.577 1.206 1.00 0.00 C ATOM 1597 O ILE B 46 0.346 -23.809 1.211 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.813 -21.485 -0.756 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.988 -20.620 -1.273 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.727 -22.780 -1.582 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.389 -21.168 -0.972 1.00 0.00 C ATOM 0 H ILE B 46 -1.048 -19.690 0.860 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.739 -22.378 1.015 1.00 0.00 H new ATOM 0 HB ILE B 46 0.102 -20.909 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.904 -19.625 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.885 -20.505 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.690 -22.533 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.173 -23.329 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.603 -23.397 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.140 -20.489 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.502 -22.149 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.521 -21.256 0.106 1.00 0.00 H new ATOM 1613 N LEU B 47 1.460 -21.890 1.567 1.00 0.00 N ATOM 1614 CA LEU B 47 2.793 -22.479 1.740 1.00 0.00 C ATOM 1615 C LEU B 47 2.982 -23.209 3.086 1.00 0.00 C ATOM 1616 O LEU B 47 3.858 -24.071 3.198 1.00 0.00 O ATOM 1617 CB LEU B 47 3.845 -21.361 1.606 1.00 0.00 C ATOM 1618 CG LEU B 47 3.723 -20.479 0.348 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.752 -19.357 0.434 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.942 -21.260 -0.949 1.00 0.00 C ATOM 0 H LEU B 47 1.439 -20.887 1.751 1.00 0.00 H new ATOM 0 HA LEU B 47 2.913 -23.237 0.966 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.781 -20.720 2.485 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.836 -21.816 1.614 1.00 0.00 H new ATOM 0 HG LEU B 47 2.707 -20.086 0.320 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.676 -18.725 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.564 -18.758 1.325 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.753 -19.785 0.490 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.844 -20.586 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.940 -21.698 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.198 -22.053 -1.026 1.00 0.00 H new ATOM 1632 N GLY B 48 2.184 -22.867 4.103 1.00 0.00 N ATOM 1633 CA GLY B 48 2.308 -23.418 5.462 1.00 0.00 C ATOM 1634 C GLY B 48 1.442 -22.740 6.535 1.00 0.00 C ATOM 1635 O GLY B 48 1.741 -22.842 7.725 1.00 0.00 O ATOM 0 H GLY B 48 1.425 -22.193 4.007 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.052 -24.477 5.430 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.352 -23.351 5.768 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.388 -22.020 6.169 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.571 -4.460 -7.878 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.739 -7.287 -5.800 1.00 0.00 ZN