USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ -175:sc= 0.0767 (180deg=0.0105) USER MOD Set 1.2: A 93 SER OG : rot -171:sc= -0.487 USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 141:sc= -0.227 (180deg=-1.9!) USER MOD Set 3.2: A 20 HIS : no HD1:sc= -0.759 K(o=-0.99,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -40:sc= 0.81 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 0.0987 (180deg=0.0386) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0599) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.884 USER MOD Single : A 48 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.47) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.82) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.023) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 86 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.4) USER MOD Single : A 87 ASN : amide:sc= -0.0505 K(o=-0.051,f=-1.5!) USER MOD Single : A 89 LYS NZ :NH3+ -158:sc= -0.0629 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.477 1.403 -1.234 1.00 11.12 N ATOM 2 CA MET A 1 2.100 -0.005 -1.269 1.00 72.21 C ATOM 3 C MET A 1 3.266 -0.891 -0.843 1.00 20.15 C ATOM 4 O MET A 1 3.220 -1.534 0.207 1.00 50.11 O ATOM 5 CB MET A 1 1.635 -0.396 -2.673 1.00 54.43 C ATOM 6 CG MET A 1 0.825 -1.682 -2.710 1.00 4.23 C ATOM 7 SD MET A 1 -0.302 -1.754 -4.115 1.00 41.31 S ATOM 8 CE MET A 1 -1.803 -1.111 -3.378 1.00 62.44 C ATOM 0 H1 MET A 1 1.668 1.986 -1.528 1.00 11.12 H new ATOM 0 H2 MET A 1 2.759 1.663 -0.267 1.00 11.12 H new ATOM 0 H3 MET A 1 3.274 1.565 -1.882 1.00 11.12 H new ATOM 0 HA MET A 1 1.279 -0.152 -0.567 1.00 72.21 H new ATOM 0 HB2 MET A 1 1.034 0.414 -3.086 1.00 54.43 H new ATOM 0 HB3 MET A 1 2.507 -0.507 -3.318 1.00 54.43 H new ATOM 0 HG2 MET A 1 1.504 -2.533 -2.750 1.00 4.23 H new ATOM 0 HG3 MET A 1 0.254 -1.774 -1.786 1.00 4.23 H new ATOM 0 HE1 MET A 1 -2.596 -1.093 -4.125 1.00 62.44 H new ATOM 0 HE2 MET A 1 -2.102 -1.749 -2.546 1.00 62.44 H new ATOM 0 HE3 MET A 1 -1.625 -0.099 -3.014 1.00 62.44 H new ATOM 18 N THR A 2 4.312 -0.921 -1.663 1.00 73.20 N ATOM 19 CA THR A 2 5.489 -1.729 -1.371 1.00 60.24 C ATOM 20 C THR A 2 6.714 -0.852 -1.140 1.00 22.22 C ATOM 21 O THR A 2 7.832 -1.352 -1.015 1.00 23.11 O ATOM 22 CB THR A 2 5.788 -2.719 -2.513 1.00 44.54 C ATOM 23 OG1 THR A 2 6.837 -3.613 -2.125 1.00 3.52 O ATOM 24 CG2 THR A 2 6.190 -1.978 -3.780 1.00 11.41 C ATOM 0 H THR A 2 4.368 -0.395 -2.535 1.00 73.20 H new ATOM 0 HA THR A 2 5.270 -2.290 -0.462 1.00 60.24 H new ATOM 0 HB THR A 2 4.882 -3.289 -2.716 1.00 44.54 H new ATOM 0 HG1 THR A 2 7.524 -3.117 -1.633 1.00 3.52 H new ATOM 0 HG21 THR A 2 6.396 -2.698 -4.572 1.00 11.41 H new ATOM 0 HG22 THR A 2 5.378 -1.320 -4.090 1.00 11.41 H new ATOM 0 HG23 THR A 2 7.084 -1.385 -3.587 1.00 11.41 H new ATOM 32 N ARG A 3 6.496 0.458 -1.083 1.00 24.51 N ATOM 33 CA ARG A 3 7.584 1.404 -0.867 1.00 12.24 C ATOM 34 C ARG A 3 8.101 1.320 0.566 1.00 22.25 C ATOM 35 O ARG A 3 7.330 1.120 1.505 1.00 73.32 O ATOM 36 CB ARG A 3 7.116 2.829 -1.168 1.00 14.00 C ATOM 37 CG ARG A 3 6.324 2.950 -2.460 1.00 30.51 C ATOM 38 CD ARG A 3 7.133 2.472 -3.656 1.00 1.24 C ATOM 39 NE ARG A 3 6.649 3.046 -4.908 1.00 42.23 N ATOM 40 CZ ARG A 3 6.931 2.543 -6.105 1.00 23.32 C ATOM 41 NH1 ARG A 3 7.690 1.461 -6.210 1.00 70.42 N ATOM 42 NH2 ARG A 3 6.454 3.122 -7.199 1.00 34.30 N ATOM 0 H ARG A 3 5.576 0.888 -1.183 1.00 24.51 H new ATOM 0 HA ARG A 3 8.397 1.145 -1.545 1.00 12.24 H new ATOM 0 HB2 ARG A 3 6.501 3.183 -0.340 1.00 14.00 H new ATOM 0 HB3 ARG A 3 7.985 3.484 -1.222 1.00 14.00 H new ATOM 0 HG2 ARG A 3 5.407 2.365 -2.382 1.00 30.51 H new ATOM 0 HG3 ARG A 3 6.028 3.988 -2.611 1.00 30.51 H new ATOM 0 HD2 ARG A 3 8.180 2.739 -3.516 1.00 1.24 H new ATOM 0 HD3 ARG A 3 7.087 1.385 -3.714 1.00 1.24 H new ATOM 0 HE ARG A 3 6.062 3.879 -4.861 1.00 42.23 H new ATOM 0 HH11 ARG A 3 8.059 1.013 -5.371 1.00 70.42 H new ATOM 0 HH12 ARG A 3 7.905 1.076 -7.130 1.00 70.42 H new ATOM 0 HH21 ARG A 3 5.870 3.955 -7.122 1.00 34.30 H new ATOM 0 HH22 ARG A 3 6.671 2.735 -8.117 1.00 34.30 H new ATOM 56 N ASP A 4 9.411 1.473 0.727 1.00 71.01 N ATOM 57 CA ASP A 4 10.032 1.415 2.045 1.00 33.32 C ATOM 58 C ASP A 4 9.613 2.609 2.896 1.00 11.44 C ATOM 59 O ASP A 4 9.033 3.571 2.392 1.00 12.22 O ATOM 60 CB ASP A 4 11.555 1.375 1.914 1.00 40.21 C ATOM 61 CG ASP A 4 12.117 2.647 1.310 1.00 61.15 C ATOM 62 OD1 ASP A 4 12.221 2.718 0.067 1.00 43.02 O ATOM 63 OD2 ASP A 4 12.452 3.571 2.079 1.00 1.31 O ATOM 0 H ASP A 4 10.064 1.638 -0.039 1.00 71.01 H new ATOM 0 HA ASP A 4 9.694 0.504 2.539 1.00 33.32 H new ATOM 0 HB2 ASP A 4 11.997 1.217 2.898 1.00 40.21 H new ATOM 0 HB3 ASP A 4 11.841 0.525 1.295 1.00 40.21 H new ATOM 68 N PHE A 5 9.910 2.541 4.190 1.00 71.01 N ATOM 69 CA PHE A 5 9.562 3.616 5.112 1.00 65.01 C ATOM 70 C PHE A 5 10.812 4.195 5.769 1.00 64.45 C ATOM 71 O PHE A 5 11.921 3.700 5.564 1.00 21.33 O ATOM 72 CB PHE A 5 8.599 3.105 6.185 1.00 22.41 C ATOM 73 CG PHE A 5 7.155 3.175 5.777 1.00 3.34 C ATOM 74 CD1 PHE A 5 6.409 4.317 6.018 1.00 12.44 C ATOM 75 CD2 PHE A 5 6.544 2.099 5.154 1.00 44.44 C ATOM 76 CE1 PHE A 5 5.080 4.386 5.644 1.00 31.12 C ATOM 77 CE2 PHE A 5 5.216 2.162 4.777 1.00 42.32 C ATOM 78 CZ PHE A 5 4.483 3.306 5.023 1.00 13.45 C ATOM 0 H PHE A 5 10.391 1.753 4.624 1.00 71.01 H new ATOM 0 HA PHE A 5 9.073 4.406 4.542 1.00 65.01 H new ATOM 0 HB2 PHE A 5 8.851 2.072 6.426 1.00 22.41 H new ATOM 0 HB3 PHE A 5 8.740 3.688 7.095 1.00 22.41 H new ATOM 0 HD1 PHE A 5 6.871 5.164 6.504 1.00 12.44 H new ATOM 0 HD2 PHE A 5 7.112 1.201 4.961 1.00 44.44 H new ATOM 0 HE1 PHE A 5 4.509 5.283 5.837 1.00 31.12 H new ATOM 0 HE2 PHE A 5 4.752 1.317 4.290 1.00 42.32 H new ATOM 0 HZ PHE A 5 3.445 3.356 4.730 1.00 13.45 H new ATOM 88 N LYS A 6 10.625 5.247 6.558 1.00 25.21 N ATOM 89 CA LYS A 6 11.736 5.894 7.246 1.00 12.44 C ATOM 90 C LYS A 6 11.800 5.457 8.706 1.00 3.13 C ATOM 91 O LYS A 6 10.828 4.960 9.274 1.00 73.52 O ATOM 92 CB LYS A 6 11.596 7.416 7.164 1.00 13.14 C ATOM 93 CG LYS A 6 12.261 8.023 5.941 1.00 15.21 C ATOM 94 CD LYS A 6 12.444 9.524 6.093 1.00 32.11 C ATOM 95 CE LYS A 6 11.179 10.281 5.718 1.00 70.33 C ATOM 96 NZ LYS A 6 11.265 11.722 6.084 1.00 64.50 N ATOM 0 H LYS A 6 9.714 5.670 6.737 1.00 25.21 H new ATOM 0 HA LYS A 6 12.661 5.593 6.754 1.00 12.44 H new ATOM 0 HB2 LYS A 6 10.537 7.675 7.158 1.00 13.14 H new ATOM 0 HB3 LYS A 6 12.028 7.861 8.060 1.00 13.14 H new ATOM 0 HG2 LYS A 6 13.231 7.552 5.781 1.00 15.21 H new ATOM 0 HG3 LYS A 6 11.657 7.817 5.057 1.00 15.21 H new ATOM 0 HD2 LYS A 6 12.716 9.756 7.123 1.00 32.11 H new ATOM 0 HD3 LYS A 6 13.269 9.857 5.463 1.00 32.11 H new ATOM 0 HE2 LYS A 6 11.005 10.189 4.646 1.00 70.33 H new ATOM 0 HE3 LYS A 6 10.323 9.829 6.220 1.00 70.33 H new ATOM 0 HZ1 LYS A 6 10.384 12.202 5.812 1.00 64.50 H new ATOM 0 HZ2 LYS A 6 11.406 11.812 7.111 1.00 64.50 H new ATOM 0 HZ3 LYS A 6 12.066 12.160 5.585 1.00 64.50 H new ATOM 110 N PRO A 7 12.972 5.647 9.331 1.00 41.34 N ATOM 111 CA PRO A 7 13.190 5.281 10.733 1.00 3.02 C ATOM 112 C PRO A 7 12.421 6.181 11.694 1.00 74.11 C ATOM 113 O PRO A 7 12.644 7.390 11.741 1.00 21.23 O ATOM 114 CB PRO A 7 14.698 5.468 10.918 1.00 64.40 C ATOM 115 CG PRO A 7 15.085 6.473 9.888 1.00 33.44 C ATOM 116 CD PRO A 7 14.174 6.235 8.716 1.00 40.23 C ATOM 0 HA PRO A 7 12.842 4.271 10.949 1.00 3.02 H new ATOM 0 HB2 PRO A 7 14.933 5.820 11.922 1.00 64.40 H new ATOM 0 HB3 PRO A 7 15.234 4.529 10.776 1.00 64.40 H new ATOM 0 HG2 PRO A 7 14.972 7.487 10.271 1.00 33.44 H new ATOM 0 HG3 PRO A 7 16.130 6.355 9.601 1.00 33.44 H new ATOM 0 HD2 PRO A 7 13.944 7.162 8.191 1.00 40.23 H new ATOM 0 HD3 PRO A 7 14.624 5.560 7.988 1.00 40.23 H new ATOM 124 N GLY A 8 11.513 5.583 12.459 1.00 33.43 N ATOM 125 CA GLY A 8 10.724 6.346 13.409 1.00 60.31 C ATOM 126 C GLY A 8 9.439 6.875 12.803 1.00 62.51 C ATOM 127 O GLY A 8 8.920 7.905 13.233 1.00 62.22 O ATOM 0 H GLY A 8 11.310 4.584 12.438 1.00 33.43 H new ATOM 0 HA2 GLY A 8 10.486 5.717 14.267 1.00 60.31 H new ATOM 0 HA3 GLY A 8 11.317 7.181 13.781 1.00 60.31 H new ATOM 131 N ASP A 9 8.926 6.169 11.801 1.00 14.40 N ATOM 132 CA ASP A 9 7.693 6.574 11.134 1.00 5.10 C ATOM 133 C ASP A 9 6.481 5.919 11.788 1.00 20.11 C ATOM 134 O ASP A 9 6.529 4.752 12.181 1.00 12.51 O ATOM 135 CB ASP A 9 7.748 6.208 9.650 1.00 51.20 C ATOM 136 CG ASP A 9 8.191 7.370 8.783 1.00 5.11 C ATOM 137 OD1 ASP A 9 8.748 8.342 9.334 1.00 3.33 O ATOM 138 OD2 ASP A 9 7.981 7.308 7.553 1.00 21.35 O ATOM 0 H ASP A 9 9.344 5.314 11.433 1.00 14.40 H new ATOM 0 HA ASP A 9 7.594 7.655 11.230 1.00 5.10 H new ATOM 0 HB2 ASP A 9 8.433 5.372 9.510 1.00 51.20 H new ATOM 0 HB3 ASP A 9 6.764 5.871 9.325 1.00 51.20 H new ATOM 143 N LEU A 10 5.396 6.676 11.903 1.00 52.42 N ATOM 144 CA LEU A 10 4.170 6.170 12.511 1.00 40.04 C ATOM 145 C LEU A 10 3.348 5.378 11.499 1.00 32.22 C ATOM 146 O LEU A 10 2.838 5.935 10.527 1.00 54.12 O ATOM 147 CB LEU A 10 3.338 7.327 13.067 1.00 20.44 C ATOM 148 CG LEU A 10 4.006 8.173 14.152 1.00 60.13 C ATOM 149 CD1 LEU A 10 4.714 7.284 15.162 1.00 34.24 C ATOM 150 CD2 LEU A 10 4.983 9.160 13.531 1.00 44.41 C ATOM 0 H LEU A 10 5.340 7.643 11.583 1.00 52.42 H new ATOM 0 HA LEU A 10 4.447 5.504 13.328 1.00 40.04 H new ATOM 0 HB2 LEU A 10 3.065 7.982 12.240 1.00 20.44 H new ATOM 0 HB3 LEU A 10 2.411 6.920 13.471 1.00 20.44 H new ATOM 0 HG LEU A 10 3.233 8.736 14.674 1.00 60.13 H new ATOM 0 HD11 LEU A 10 5.183 7.904 15.926 1.00 34.24 H new ATOM 0 HD12 LEU A 10 3.990 6.617 15.630 1.00 34.24 H new ATOM 0 HD13 LEU A 10 5.477 6.693 14.655 1.00 34.24 H new ATOM 0 HD21 LEU A 10 5.449 9.754 14.317 1.00 44.41 H new ATOM 0 HD22 LEU A 10 5.752 8.615 12.983 1.00 44.41 H new ATOM 0 HD23 LEU A 10 4.449 9.819 12.847 1.00 44.41 H new ATOM 162 N ILE A 11 3.222 4.077 11.736 1.00 31.54 N ATOM 163 CA ILE A 11 2.459 3.209 10.848 1.00 73.01 C ATOM 164 C ILE A 11 1.826 2.055 11.617 1.00 35.42 C ATOM 165 O ILE A 11 2.432 1.498 12.533 1.00 14.32 O ATOM 166 CB ILE A 11 3.342 2.638 9.723 1.00 41.01 C ATOM 167 CG1 ILE A 11 4.519 1.860 10.314 1.00 23.13 C ATOM 168 CG2 ILE A 11 3.840 3.757 8.821 1.00 53.34 C ATOM 169 CD1 ILE A 11 4.240 0.384 10.492 1.00 70.14 C ATOM 0 H ILE A 11 3.639 3.601 12.536 1.00 31.54 H new ATOM 0 HA ILE A 11 1.674 3.822 10.406 1.00 73.01 H new ATOM 0 HB ILE A 11 2.743 1.953 9.123 1.00 41.01 H new ATOM 0 HG12 ILE A 11 5.387 1.982 9.666 1.00 23.13 H new ATOM 0 HG13 ILE A 11 4.780 2.291 11.280 1.00 23.13 H new ATOM 0 HG21 ILE A 11 4.463 3.338 8.031 1.00 53.34 H new ATOM 0 HG22 ILE A 11 2.988 4.273 8.377 1.00 53.34 H new ATOM 0 HG23 ILE A 11 4.426 4.464 9.408 1.00 53.34 H new ATOM 0 HD11 ILE A 11 5.118 -0.104 10.915 1.00 70.14 H new ATOM 0 HD12 ILE A 11 3.392 0.252 11.165 1.00 70.14 H new ATOM 0 HD13 ILE A 11 4.008 -0.062 9.525 1.00 70.14 H new ATOM 181 N PHE A 12 0.603 1.698 11.238 1.00 71.13 N ATOM 182 CA PHE A 12 -0.113 0.608 11.891 1.00 11.42 C ATOM 183 C PHE A 12 0.380 -0.745 11.388 1.00 73.21 C ATOM 184 O PHE A 12 0.172 -1.101 10.228 1.00 24.23 O ATOM 185 CB PHE A 12 -1.618 0.739 11.646 1.00 3.41 C ATOM 186 CG PHE A 12 -2.340 1.480 12.735 1.00 32.21 C ATOM 187 CD1 PHE A 12 -1.980 2.776 13.066 1.00 1.13 C ATOM 188 CD2 PHE A 12 -3.380 0.880 13.427 1.00 22.10 C ATOM 189 CE1 PHE A 12 -2.643 3.459 14.068 1.00 4.34 C ATOM 190 CE2 PHE A 12 -4.047 1.558 14.430 1.00 44.31 C ATOM 191 CZ PHE A 12 -3.678 2.850 14.750 1.00 0.22 C ATOM 0 H PHE A 12 0.087 2.148 10.482 1.00 71.13 H new ATOM 0 HA PHE A 12 0.080 0.670 12.962 1.00 11.42 H new ATOM 0 HB2 PHE A 12 -1.780 1.253 10.698 1.00 3.41 H new ATOM 0 HB3 PHE A 12 -2.050 -0.257 11.547 1.00 3.41 H new ATOM 0 HD1 PHE A 12 -1.172 3.258 12.535 1.00 1.13 H new ATOM 0 HD2 PHE A 12 -3.673 -0.130 13.180 1.00 22.10 H new ATOM 0 HE1 PHE A 12 -2.352 4.469 14.318 1.00 4.34 H new ATOM 0 HE2 PHE A 12 -4.855 1.078 14.962 1.00 44.31 H new ATOM 0 HZ PHE A 12 -4.198 3.383 15.532 1.00 0.22 H new ATOM 201 N ALA A 13 1.034 -1.495 12.269 1.00 14.01 N ATOM 202 CA ALA A 13 1.555 -2.810 11.916 1.00 51.52 C ATOM 203 C ALA A 13 0.453 -3.863 11.946 1.00 22.43 C ATOM 204 O ALA A 13 -0.380 -3.880 12.852 1.00 12.55 O ATOM 205 CB ALA A 13 2.686 -3.199 12.856 1.00 43.32 C ATOM 0 H ALA A 13 1.216 -1.214 13.233 1.00 14.01 H new ATOM 0 HA ALA A 13 1.944 -2.759 10.899 1.00 51.52 H new ATOM 0 HB1 ALA A 13 3.066 -4.183 12.581 1.00 43.32 H new ATOM 0 HB2 ALA A 13 3.489 -2.466 12.781 1.00 43.32 H new ATOM 0 HB3 ALA A 13 2.314 -3.227 13.880 1.00 43.32 H new ATOM 211 N LYS A 14 0.454 -4.742 10.950 1.00 20.40 N ATOM 212 CA LYS A 14 -0.545 -5.801 10.862 1.00 1.11 C ATOM 213 C LYS A 14 0.108 -7.175 10.965 1.00 64.55 C ATOM 214 O LYS A 14 0.746 -7.642 10.021 1.00 41.51 O ATOM 215 CB LYS A 14 -1.321 -5.690 9.548 1.00 70.12 C ATOM 216 CG LYS A 14 -2.763 -5.249 9.728 1.00 12.04 C ATOM 217 CD LYS A 14 -3.559 -6.261 10.535 1.00 71.41 C ATOM 218 CE LYS A 14 -4.689 -6.863 9.714 1.00 73.40 C ATOM 219 NZ LYS A 14 -6.025 -6.541 10.288 1.00 2.42 N ATOM 0 H LYS A 14 1.136 -4.742 10.192 1.00 20.40 H new ATOM 0 HA LYS A 14 -1.237 -5.684 11.696 1.00 1.11 H new ATOM 0 HB2 LYS A 14 -0.812 -4.982 8.894 1.00 70.12 H new ATOM 0 HB3 LYS A 14 -1.306 -6.656 9.044 1.00 70.12 H new ATOM 0 HG2 LYS A 14 -2.789 -4.281 10.229 1.00 12.04 H new ATOM 0 HG3 LYS A 14 -3.228 -5.114 8.751 1.00 12.04 H new ATOM 0 HD2 LYS A 14 -2.896 -7.054 10.881 1.00 71.41 H new ATOM 0 HD3 LYS A 14 -3.969 -5.779 11.422 1.00 71.41 H new ATOM 0 HE2 LYS A 14 -4.634 -6.490 8.691 1.00 73.40 H new ATOM 0 HE3 LYS A 14 -4.566 -7.945 9.665 1.00 73.40 H new ATOM 0 HZ1 LYS A 14 -6.696 -6.345 9.518 1.00 2.42 H new ATOM 0 HZ2 LYS A 14 -6.366 -7.349 10.847 1.00 2.42 H new ATOM 0 HZ3 LYS A 14 -5.947 -5.704 10.901 1.00 2.42 H new ATOM 233 N MET A 15 -0.056 -7.820 12.115 1.00 12.43 N ATOM 234 CA MET A 15 0.516 -9.142 12.339 1.00 73.32 C ATOM 235 C MET A 15 -0.375 -10.228 11.742 1.00 1.43 C ATOM 236 O MET A 15 -1.601 -10.158 11.832 1.00 42.13 O ATOM 237 CB MET A 15 0.710 -9.391 13.836 1.00 72.22 C ATOM 238 CG MET A 15 2.076 -8.966 14.350 1.00 34.54 C ATOM 239 SD MET A 15 2.192 -9.033 16.148 1.00 11.05 S ATOM 240 CE MET A 15 2.369 -10.796 16.411 1.00 1.23 C ATOM 0 H MET A 15 -0.581 -7.448 12.907 1.00 12.43 H new ATOM 0 HA MET A 15 1.486 -9.179 11.844 1.00 73.32 H new ATOM 0 HB2 MET A 15 -0.061 -8.853 14.388 1.00 72.22 H new ATOM 0 HB3 MET A 15 0.568 -10.452 14.041 1.00 72.22 H new ATOM 0 HG2 MET A 15 2.840 -9.611 13.916 1.00 34.54 H new ATOM 0 HG3 MET A 15 2.287 -7.951 14.014 1.00 34.54 H new ATOM 0 HE1 MET A 15 2.453 -10.998 17.479 1.00 1.23 H new ATOM 0 HE2 MET A 15 1.497 -11.313 16.011 1.00 1.23 H new ATOM 0 HE3 MET A 15 3.266 -11.151 15.903 1.00 1.23 H new ATOM 250 N LYS A 16 0.249 -11.230 11.133 1.00 21.34 N ATOM 251 CA LYS A 16 -0.486 -12.331 10.523 1.00 70.44 C ATOM 252 C LYS A 16 -1.468 -12.947 11.515 1.00 43.22 C ATOM 253 O LYS A 16 -1.066 -13.605 12.473 1.00 22.40 O ATOM 254 CB LYS A 16 0.484 -13.402 10.018 1.00 3.13 C ATOM 255 CG LYS A 16 1.191 -13.023 8.728 1.00 2.04 C ATOM 256 CD LYS A 16 0.334 -13.331 7.512 1.00 44.42 C ATOM 257 CE LYS A 16 1.092 -13.074 6.218 1.00 75.32 C ATOM 258 NZ LYS A 16 1.048 -11.639 5.824 1.00 13.35 N ATOM 0 H LYS A 16 1.263 -11.302 11.049 1.00 21.34 H new ATOM 0 HA LYS A 16 -1.050 -11.934 9.679 1.00 70.44 H new ATOM 0 HB2 LYS A 16 1.231 -13.596 10.788 1.00 3.13 H new ATOM 0 HB3 LYS A 16 -0.063 -14.332 9.863 1.00 3.13 H new ATOM 0 HG2 LYS A 16 1.434 -11.960 8.744 1.00 2.04 H new ATOM 0 HG3 LYS A 16 2.134 -13.564 8.656 1.00 2.04 H new ATOM 0 HD2 LYS A 16 0.012 -14.372 7.546 1.00 44.42 H new ATOM 0 HD3 LYS A 16 -0.567 -12.718 7.535 1.00 44.42 H new ATOM 0 HE2 LYS A 16 2.130 -13.386 6.337 1.00 75.32 H new ATOM 0 HE3 LYS A 16 0.666 -13.683 5.421 1.00 75.32 H new ATOM 0 HZ1 LYS A 16 1.162 -11.558 4.793 1.00 13.35 H new ATOM 0 HZ2 LYS A 16 0.134 -11.230 6.104 1.00 13.35 H new ATOM 0 HZ3 LYS A 16 1.817 -11.125 6.299 1.00 13.35 H new ATOM 272 N GLY A 17 -2.758 -12.729 11.277 1.00 4.42 N ATOM 273 CA GLY A 17 -3.776 -13.270 12.158 1.00 51.20 C ATOM 274 C GLY A 17 -4.095 -12.343 13.314 1.00 53.42 C ATOM 275 O GLY A 17 -4.564 -12.785 14.363 1.00 70.33 O ATOM 0 H GLY A 17 -3.116 -12.188 10.490 1.00 4.42 H new ATOM 0 HA2 GLY A 17 -4.685 -13.458 11.586 1.00 51.20 H new ATOM 0 HA3 GLY A 17 -3.441 -14.231 12.549 1.00 51.20 H new ATOM 279 N TYR A 18 -3.840 -11.053 13.123 1.00 21.14 N ATOM 280 CA TYR A 18 -4.099 -10.061 14.160 1.00 33.33 C ATOM 281 C TYR A 18 -4.559 -8.741 13.549 1.00 70.31 C ATOM 282 O TYR A 18 -4.235 -8.409 12.409 1.00 64.24 O ATOM 283 CB TYR A 18 -2.844 -9.835 15.005 1.00 60.34 C ATOM 284 CG TYR A 18 -2.254 -11.109 15.566 1.00 71.43 C ATOM 285 CD1 TYR A 18 -1.412 -11.905 14.798 1.00 1.24 C ATOM 286 CD2 TYR A 18 -2.539 -11.518 16.862 1.00 35.35 C ATOM 287 CE1 TYR A 18 -0.871 -13.070 15.306 1.00 31.24 C ATOM 288 CE2 TYR A 18 -2.002 -12.681 17.379 1.00 31.23 C ATOM 289 CZ TYR A 18 -1.169 -13.454 16.597 1.00 2.24 C ATOM 290 OH TYR A 18 -0.633 -14.614 17.108 1.00 4.41 O ATOM 0 H TYR A 18 -3.454 -10.670 12.260 1.00 21.14 H new ATOM 0 HA TYR A 18 -4.895 -10.441 14.800 1.00 33.33 H new ATOM 0 HB2 TYR A 18 -2.092 -9.334 14.396 1.00 60.34 H new ATOM 0 HB3 TYR A 18 -3.087 -9.164 15.829 1.00 60.34 H new ATOM 0 HD1 TYR A 18 -1.177 -11.607 13.787 1.00 1.24 H new ATOM 0 HD2 TYR A 18 -3.192 -10.916 17.477 1.00 35.35 H new ATOM 0 HE1 TYR A 18 -0.218 -13.677 14.696 1.00 31.24 H new ATOM 0 HE2 TYR A 18 -2.233 -12.983 18.390 1.00 31.23 H new ATOM 0 HH TYR A 18 -0.941 -14.739 18.030 1.00 4.41 H new ATOM 300 N PRO A 19 -5.333 -7.969 14.325 1.00 14.13 N ATOM 301 CA PRO A 19 -5.854 -6.672 13.883 1.00 12.11 C ATOM 302 C PRO A 19 -4.758 -5.619 13.759 1.00 14.25 C ATOM 303 O PRO A 19 -3.601 -5.869 14.098 1.00 34.55 O ATOM 304 CB PRO A 19 -6.841 -6.290 14.989 1.00 3.14 C ATOM 305 CG PRO A 19 -6.356 -7.016 16.197 1.00 44.34 C ATOM 306 CD PRO A 19 -5.760 -8.302 15.695 1.00 44.21 C ATOM 0 HA PRO A 19 -6.305 -6.730 12.892 1.00 12.11 H new ATOM 0 HB2 PRO A 19 -6.854 -5.213 15.153 1.00 3.14 H new ATOM 0 HB3 PRO A 19 -7.858 -6.585 14.731 1.00 3.14 H new ATOM 0 HG2 PRO A 19 -5.614 -6.426 16.735 1.00 44.34 H new ATOM 0 HG3 PRO A 19 -7.174 -7.210 16.891 1.00 44.34 H new ATOM 0 HD2 PRO A 19 -4.920 -8.623 16.311 1.00 44.21 H new ATOM 0 HD3 PRO A 19 -6.489 -9.113 15.703 1.00 44.21 H new ATOM 314 N HIS A 20 -5.130 -4.439 13.272 1.00 21.04 N ATOM 315 CA HIS A 20 -4.178 -3.347 13.105 1.00 2.23 C ATOM 316 C HIS A 20 -3.785 -2.757 14.456 1.00 12.34 C ATOM 317 O HIS A 20 -4.595 -2.708 15.382 1.00 33.20 O ATOM 318 CB HIS A 20 -4.772 -2.257 12.213 1.00 44.43 C ATOM 319 CG HIS A 20 -5.638 -2.789 11.113 1.00 42.21 C ATOM 320 ND1 HIS A 20 -5.141 -3.188 9.890 1.00 11.00 N ATOM 321 CD2 HIS A 20 -6.975 -2.988 11.057 1.00 34.42 C ATOM 322 CE1 HIS A 20 -6.136 -3.608 9.129 1.00 21.32 C ATOM 323 NE2 HIS A 20 -7.260 -3.498 9.814 1.00 2.02 N ATOM 0 H HIS A 20 -6.083 -4.215 12.986 1.00 21.04 H new ATOM 0 HA HIS A 20 -3.283 -3.748 12.629 1.00 2.23 H new ATOM 0 HB2 HIS A 20 -5.359 -1.575 12.829 1.00 44.43 H new ATOM 0 HB3 HIS A 20 -3.961 -1.674 11.776 1.00 44.43 H new ATOM 0 HD2 HIS A 20 -7.686 -2.784 11.844 1.00 34.42 H new ATOM 0 HE1 HIS A 20 -6.046 -3.978 8.119 1.00 21.32 H new ATOM 0 HE2 HIS A 20 -8.188 -3.751 9.475 1.00 2.02 H new ATOM 331 N TRP A 21 -2.539 -2.311 14.562 1.00 42.12 N ATOM 332 CA TRP A 21 -2.039 -1.725 15.800 1.00 10.15 C ATOM 333 C TRP A 21 -0.999 -0.648 15.512 1.00 23.13 C ATOM 334 O TRP A 21 -0.129 -0.805 14.655 1.00 55.13 O ATOM 335 CB TRP A 21 -1.435 -2.809 16.694 1.00 22.22 C ATOM 336 CG TRP A 21 -0.846 -2.273 17.964 1.00 50.53 C ATOM 337 CD1 TRP A 21 0.413 -1.772 18.136 1.00 52.52 C ATOM 338 CD2 TRP A 21 -1.492 -2.185 19.238 1.00 33.43 C ATOM 339 NE1 TRP A 21 0.588 -1.378 19.441 1.00 71.23 N ATOM 340 CE2 TRP A 21 -0.566 -1.621 20.137 1.00 13.22 C ATOM 341 CE3 TRP A 21 -2.764 -2.527 19.707 1.00 25.33 C ATOM 342 CZ2 TRP A 21 -0.873 -1.393 21.476 1.00 11.01 C ATOM 343 CZ3 TRP A 21 -3.066 -2.301 21.036 1.00 13.14 C ATOM 344 CH2 TRP A 21 -2.125 -1.737 21.908 1.00 20.42 C ATOM 0 H TRP A 21 -1.856 -2.344 13.805 1.00 42.12 H new ATOM 0 HA TRP A 21 -2.879 -1.263 16.319 1.00 10.15 H new ATOM 0 HB2 TRP A 21 -2.207 -3.539 16.940 1.00 22.22 H new ATOM 0 HB3 TRP A 21 -0.661 -3.338 16.138 1.00 22.22 H new ATOM 0 HD1 TRP A 21 1.161 -1.697 17.361 1.00 52.52 H new ATOM 0 HE1 TRP A 21 1.439 -0.971 19.828 1.00 71.23 H new ATOM 0 HE3 TRP A 21 -3.497 -2.960 19.042 1.00 25.33 H new ATOM 0 HZ2 TRP A 21 -0.148 -0.960 22.150 1.00 11.01 H new ATOM 0 HZ3 TRP A 21 -4.045 -2.564 21.410 1.00 13.14 H new ATOM 0 HH2 TRP A 21 -2.393 -1.571 22.941 1.00 20.42 H new ATOM 355 N PRO A 22 -1.087 0.472 16.244 1.00 3.34 N ATOM 356 CA PRO A 22 -0.160 1.597 16.085 1.00 22.32 C ATOM 357 C PRO A 22 1.244 1.266 16.582 1.00 74.15 C ATOM 358 O PRO A 22 1.433 0.913 17.745 1.00 64.51 O ATOM 359 CB PRO A 22 -0.786 2.697 16.946 1.00 43.01 C ATOM 360 CG PRO A 22 -1.590 1.968 17.966 1.00 55.30 C ATOM 361 CD PRO A 22 -2.098 0.728 17.284 1.00 24.43 C ATOM 0 HA PRO A 22 -0.033 1.876 15.039 1.00 22.32 H new ATOM 0 HB2 PRO A 22 -0.021 3.317 17.414 1.00 43.01 H new ATOM 0 HB3 PRO A 22 -1.412 3.360 16.348 1.00 43.01 H new ATOM 0 HG2 PRO A 22 -0.982 1.714 18.834 1.00 55.30 H new ATOM 0 HG3 PRO A 22 -2.416 2.583 18.324 1.00 55.30 H new ATOM 0 HD2 PRO A 22 -2.180 -0.108 17.979 1.00 24.43 H new ATOM 0 HD3 PRO A 22 -3.087 0.883 16.853 1.00 24.43 H new ATOM 369 N ALA A 23 2.224 1.383 15.692 1.00 51.22 N ATOM 370 CA ALA A 23 3.610 1.099 16.041 1.00 62.13 C ATOM 371 C ALA A 23 4.564 2.035 15.306 1.00 22.32 C ATOM 372 O ALA A 23 4.133 2.941 14.593 1.00 63.43 O ATOM 373 CB ALA A 23 3.946 -0.352 15.728 1.00 2.14 C ATOM 0 H ALA A 23 2.083 1.673 14.724 1.00 51.22 H new ATOM 0 HA ALA A 23 3.731 1.266 17.111 1.00 62.13 H new ATOM 0 HB1 ALA A 23 4.984 -0.550 15.994 1.00 2.14 H new ATOM 0 HB2 ALA A 23 3.293 -1.009 16.302 1.00 2.14 H new ATOM 0 HB3 ALA A 23 3.802 -0.537 14.664 1.00 2.14 H new ATOM 379 N ARG A 24 5.862 1.810 15.486 1.00 13.13 N ATOM 380 CA ARG A 24 6.876 2.635 14.842 1.00 65.01 C ATOM 381 C ARG A 24 7.875 1.770 14.078 1.00 50.43 C ATOM 382 O ARG A 24 7.888 0.547 14.218 1.00 42.41 O ATOM 383 CB ARG A 24 7.611 3.483 15.882 1.00 30.20 C ATOM 384 CG ARG A 24 8.320 2.662 16.946 1.00 20.45 C ATOM 385 CD ARG A 24 9.777 2.418 16.584 1.00 54.03 C ATOM 386 NE ARG A 24 10.518 3.667 16.428 1.00 21.41 N ATOM 387 CZ ARG A 24 10.857 4.451 17.445 1.00 43.54 C ATOM 388 NH1 ARG A 24 10.524 4.118 18.684 1.00 54.32 N ATOM 389 NH2 ARG A 24 11.532 5.572 17.223 1.00 43.14 N ATOM 0 H ARG A 24 6.235 1.063 16.072 1.00 13.13 H new ATOM 0 HA ARG A 24 6.375 3.295 14.134 1.00 65.01 H new ATOM 0 HB2 ARG A 24 8.342 4.113 15.374 1.00 30.20 H new ATOM 0 HB3 ARG A 24 6.897 4.150 16.365 1.00 30.20 H new ATOM 0 HG2 ARG A 24 8.264 3.180 17.904 1.00 20.45 H new ATOM 0 HG3 ARG A 24 7.810 1.707 17.070 1.00 20.45 H new ATOM 0 HD2 ARG A 24 10.247 1.812 17.359 1.00 54.03 H new ATOM 0 HD3 ARG A 24 9.830 1.847 15.657 1.00 54.03 H new ATOM 0 HE ARG A 24 10.790 3.952 15.487 1.00 21.41 H new ATOM 0 HH11 ARG A 24 10.006 3.257 18.859 1.00 54.32 H new ATOM 0 HH12 ARG A 24 10.786 4.723 19.463 1.00 54.32 H new ATOM 0 HH21 ARG A 24 11.791 5.832 16.271 1.00 43.14 H new ATOM 0 HH22 ARG A 24 11.792 6.174 18.004 1.00 43.14 H new ATOM 403 N VAL A 25 8.710 2.415 13.268 1.00 31.44 N ATOM 404 CA VAL A 25 9.712 1.705 12.482 1.00 2.33 C ATOM 405 C VAL A 25 11.102 1.871 13.086 1.00 23.32 C ATOM 406 O VAL A 25 11.446 2.937 13.597 1.00 74.01 O ATOM 407 CB VAL A 25 9.736 2.201 11.024 1.00 33.11 C ATOM 408 CG1 VAL A 25 10.780 1.442 10.219 1.00 53.31 C ATOM 409 CG2 VAL A 25 8.359 2.062 10.392 1.00 11.14 C ATOM 0 H VAL A 25 8.712 3.427 13.139 1.00 31.44 H new ATOM 0 HA VAL A 25 9.436 0.651 12.495 1.00 2.33 H new ATOM 0 HB VAL A 25 10.007 3.257 11.022 1.00 33.11 H new ATOM 0 HG11 VAL A 25 10.782 1.806 9.192 1.00 53.31 H new ATOM 0 HG12 VAL A 25 11.764 1.597 10.661 1.00 53.31 H new ATOM 0 HG13 VAL A 25 10.543 0.378 10.226 1.00 53.31 H new ATOM 0 HG21 VAL A 25 8.394 2.417 9.362 1.00 11.14 H new ATOM 0 HG22 VAL A 25 8.057 1.015 10.405 1.00 11.14 H new ATOM 0 HG23 VAL A 25 7.638 2.655 10.956 1.00 11.14 H new ATOM 419 N ASP A 26 11.898 0.809 13.024 1.00 43.12 N ATOM 420 CA ASP A 26 13.253 0.836 13.563 1.00 11.42 C ATOM 421 C ASP A 26 14.282 0.956 12.443 1.00 74.10 C ATOM 422 O ASP A 26 13.984 0.676 11.282 1.00 30.34 O ATOM 423 CB ASP A 26 13.522 -0.424 14.387 1.00 1.44 C ATOM 424 CG ASP A 26 14.433 -0.158 15.570 1.00 63.33 C ATOM 425 OD1 ASP A 26 14.387 0.964 16.115 1.00 53.51 O ATOM 426 OD2 ASP A 26 15.192 -1.074 15.950 1.00 3.33 O ATOM 0 H ASP A 26 11.628 -0.081 12.606 1.00 43.12 H new ATOM 0 HA ASP A 26 13.343 1.709 14.209 1.00 11.42 H new ATOM 0 HB2 ASP A 26 12.576 -0.830 14.745 1.00 1.44 H new ATOM 0 HB3 ASP A 26 13.973 -1.183 13.748 1.00 1.44 H new ATOM 431 N GLU A 27 15.492 1.375 12.800 1.00 72.42 N ATOM 432 CA GLU A 27 16.563 1.533 11.824 1.00 63.25 C ATOM 433 C GLU A 27 17.034 0.176 11.308 1.00 62.01 C ATOM 434 O GLU A 27 16.527 -0.867 11.720 1.00 22.50 O ATOM 435 CB GLU A 27 17.739 2.292 12.442 1.00 22.32 C ATOM 436 CG GLU A 27 17.551 3.799 12.456 1.00 13.33 C ATOM 437 CD GLU A 27 18.505 4.498 13.406 1.00 71.42 C ATOM 438 OE1 GLU A 27 18.728 3.972 14.516 1.00 2.22 O ATOM 439 OE2 GLU A 27 19.028 5.570 13.037 1.00 4.03 O ATOM 0 H GLU A 27 15.755 1.611 13.757 1.00 72.42 H new ATOM 0 HA GLU A 27 16.172 2.106 10.983 1.00 63.25 H new ATOM 0 HB2 GLU A 27 17.889 1.944 13.464 1.00 22.32 H new ATOM 0 HB3 GLU A 27 18.646 2.053 11.888 1.00 22.32 H new ATOM 0 HG2 GLU A 27 17.697 4.189 11.449 1.00 13.33 H new ATOM 0 HG3 GLU A 27 16.525 4.031 12.742 1.00 13.33 H new ATOM 446 N VAL A 28 18.008 0.199 10.403 1.00 75.32 N ATOM 447 CA VAL A 28 18.548 -1.028 9.830 1.00 21.54 C ATOM 448 C VAL A 28 19.844 -1.434 10.523 1.00 3.51 C ATOM 449 O VAL A 28 20.562 -0.606 11.085 1.00 40.21 O ATOM 450 CB VAL A 28 18.812 -0.875 8.321 1.00 50.13 C ATOM 451 CG1 VAL A 28 17.500 -0.816 7.553 1.00 44.15 C ATOM 452 CG2 VAL A 28 19.654 0.363 8.051 1.00 53.13 C ATOM 0 H VAL A 28 18.439 1.054 10.051 1.00 75.32 H new ATOM 0 HA VAL A 28 17.799 -1.805 9.983 1.00 21.54 H new ATOM 0 HB VAL A 28 19.368 -1.747 7.976 1.00 50.13 H new ATOM 0 HG11 VAL A 28 17.706 -0.708 6.488 1.00 44.15 H new ATOM 0 HG12 VAL A 28 16.938 -1.734 7.722 1.00 44.15 H new ATOM 0 HG13 VAL A 28 16.915 0.036 7.898 1.00 44.15 H new ATOM 0 HG21 VAL A 28 19.831 0.456 6.980 1.00 53.13 H new ATOM 0 HG22 VAL A 28 19.127 1.247 8.410 1.00 53.13 H new ATOM 0 HG23 VAL A 28 20.608 0.274 8.570 1.00 53.13 H new ATOM 462 N PRO A 29 20.154 -2.738 10.483 1.00 33.04 N ATOM 463 CA PRO A 29 21.366 -3.283 11.102 1.00 71.33 C ATOM 464 C PRO A 29 22.633 -2.860 10.366 1.00 74.01 C ATOM 465 O PRO A 29 22.568 -2.193 9.333 1.00 64.52 O ATOM 466 CB PRO A 29 21.167 -4.797 10.997 1.00 62.40 C ATOM 467 CG PRO A 29 20.252 -4.980 9.836 1.00 41.03 C ATOM 468 CD PRO A 29 19.344 -3.781 9.831 1.00 23.24 C ATOM 0 HA PRO A 29 21.498 -2.926 12.123 1.00 71.33 H new ATOM 0 HB2 PRO A 29 22.115 -5.311 10.838 1.00 62.40 H new ATOM 0 HB3 PRO A 29 20.733 -5.203 11.911 1.00 62.40 H new ATOM 0 HG2 PRO A 29 20.813 -5.048 8.904 1.00 41.03 H new ATOM 0 HG3 PRO A 29 19.680 -5.903 9.932 1.00 41.03 H new ATOM 0 HD2 PRO A 29 19.061 -3.495 8.818 1.00 23.24 H new ATOM 0 HD3 PRO A 29 18.421 -3.974 10.378 1.00 23.24 H new ATOM 476 N ASP A 30 23.782 -3.252 10.904 1.00 44.52 N ATOM 477 CA ASP A 30 25.065 -2.914 10.297 1.00 53.20 C ATOM 478 C ASP A 30 25.170 -3.496 8.891 1.00 44.43 C ATOM 479 O ASP A 30 25.981 -3.047 8.081 1.00 10.45 O ATOM 480 CB ASP A 30 26.215 -3.429 11.163 1.00 32.54 C ATOM 481 CG ASP A 30 26.224 -2.805 12.545 1.00 73.20 C ATOM 482 OD1 ASP A 30 25.987 -1.583 12.646 1.00 50.03 O ATOM 483 OD2 ASP A 30 26.467 -3.539 13.526 1.00 74.15 O ATOM 0 H ASP A 30 23.852 -3.804 11.759 1.00 44.52 H new ATOM 0 HA ASP A 30 25.132 -1.828 10.228 1.00 53.20 H new ATOM 0 HB2 ASP A 30 26.138 -4.512 11.257 1.00 32.54 H new ATOM 0 HB3 ASP A 30 27.162 -3.219 10.666 1.00 32.54 H new ATOM 488 N GLY A 31 24.346 -4.499 8.607 1.00 35.32 N ATOM 489 CA GLY A 31 24.363 -5.127 7.299 1.00 62.11 C ATOM 490 C GLY A 31 24.614 -6.620 7.376 1.00 72.04 C ATOM 491 O GLY A 31 24.178 -7.375 6.507 1.00 40.33 O ATOM 0 H GLY A 31 23.666 -4.888 9.260 1.00 35.32 H new ATOM 0 HA2 GLY A 31 23.410 -4.947 6.801 1.00 62.11 H new ATOM 0 HA3 GLY A 31 25.136 -4.663 6.686 1.00 62.11 H new ATOM 495 N ALA A 32 25.320 -7.047 8.418 1.00 75.34 N ATOM 496 CA ALA A 32 25.627 -8.460 8.604 1.00 2.23 C ATOM 497 C ALA A 32 25.176 -8.943 9.979 1.00 40.24 C ATOM 498 O ALA A 32 25.675 -9.945 10.490 1.00 30.30 O ATOM 499 CB ALA A 32 27.118 -8.704 8.420 1.00 74.11 C ATOM 0 H ALA A 32 25.690 -6.435 9.146 1.00 75.34 H new ATOM 0 HA ALA A 32 25.081 -9.028 7.851 1.00 2.23 H new ATOM 0 HB1 ALA A 32 27.334 -9.763 8.562 1.00 74.11 H new ATOM 0 HB2 ALA A 32 27.414 -8.405 7.415 1.00 74.11 H new ATOM 0 HB3 ALA A 32 27.675 -8.119 9.152 1.00 74.11 H new ATOM 505 N VAL A 33 24.229 -8.223 10.572 1.00 23.04 N ATOM 506 CA VAL A 33 23.711 -8.579 11.888 1.00 54.32 C ATOM 507 C VAL A 33 22.395 -9.340 11.772 1.00 14.31 C ATOM 508 O VAL A 33 21.489 -9.164 12.587 1.00 11.04 O ATOM 509 CB VAL A 33 23.493 -7.329 12.762 1.00 23.40 C ATOM 510 CG1 VAL A 33 23.350 -7.720 14.225 1.00 14.31 C ATOM 511 CG2 VAL A 33 24.636 -6.343 12.575 1.00 62.14 C ATOM 0 H VAL A 33 23.805 -7.390 10.163 1.00 23.04 H new ATOM 0 HA VAL A 33 24.457 -9.218 12.360 1.00 54.32 H new ATOM 0 HB VAL A 33 22.569 -6.843 12.448 1.00 23.40 H new ATOM 0 HG11 VAL A 33 23.197 -6.825 14.828 1.00 14.31 H new ATOM 0 HG12 VAL A 33 22.496 -8.387 14.342 1.00 14.31 H new ATOM 0 HG13 VAL A 33 24.255 -8.229 14.556 1.00 14.31 H new ATOM 0 HG21 VAL A 33 24.466 -5.466 13.200 1.00 62.14 H new ATOM 0 HG22 VAL A 33 25.575 -6.816 12.862 1.00 62.14 H new ATOM 0 HG23 VAL A 33 24.687 -6.039 11.529 1.00 62.14 H new ATOM 521 N LYS A 34 22.295 -10.187 10.754 1.00 62.24 N ATOM 522 CA LYS A 34 21.091 -10.978 10.530 1.00 32.04 C ATOM 523 C LYS A 34 19.884 -10.076 10.291 1.00 22.14 C ATOM 524 O LYS A 34 18.964 -10.001 11.106 1.00 50.02 O ATOM 525 CB LYS A 34 20.827 -11.893 11.728 1.00 25.15 C ATOM 526 CG LYS A 34 20.019 -13.131 11.382 1.00 33.20 C ATOM 527 CD LYS A 34 20.880 -14.192 10.717 1.00 51.32 C ATOM 528 CE LYS A 34 20.087 -15.459 10.438 1.00 21.53 C ATOM 529 NZ LYS A 34 19.263 -15.338 9.204 1.00 35.22 N ATOM 0 H LYS A 34 23.035 -10.344 10.070 1.00 62.24 H new ATOM 0 HA LYS A 34 21.248 -11.589 9.641 1.00 32.04 H new ATOM 0 HB2 LYS A 34 21.781 -12.200 12.157 1.00 25.15 H new ATOM 0 HB3 LYS A 34 20.299 -11.328 12.496 1.00 25.15 H new ATOM 0 HG2 LYS A 34 19.572 -13.540 12.288 1.00 33.20 H new ATOM 0 HG3 LYS A 34 19.199 -12.857 10.718 1.00 33.20 H new ATOM 0 HD2 LYS A 34 21.284 -13.801 9.783 1.00 51.32 H new ATOM 0 HD3 LYS A 34 21.730 -14.427 11.358 1.00 51.32 H new ATOM 0 HE2 LYS A 34 20.772 -16.301 10.336 1.00 21.53 H new ATOM 0 HE3 LYS A 34 19.439 -15.676 11.287 1.00 21.53 H new ATOM 0 HZ1 LYS A 34 18.738 -16.222 9.049 1.00 35.22 H new ATOM 0 HZ2 LYS A 34 18.592 -14.551 9.311 1.00 35.22 H new ATOM 0 HZ3 LYS A 34 19.883 -15.156 8.389 1.00 35.22 H new ATOM 543 N PRO A 35 19.885 -9.376 9.148 1.00 43.45 N ATOM 544 CA PRO A 35 18.796 -8.468 8.774 1.00 5.21 C ATOM 545 C PRO A 35 17.512 -9.214 8.430 1.00 12.04 C ATOM 546 O PRO A 35 17.500 -10.433 8.259 1.00 24.23 O ATOM 547 CB PRO A 35 19.343 -7.747 7.539 1.00 21.32 C ATOM 548 CG PRO A 35 20.342 -8.690 6.962 1.00 2.30 C ATOM 549 CD PRO A 35 20.949 -9.416 8.130 1.00 22.23 C ATOM 0 HA PRO A 35 18.526 -7.798 9.590 1.00 5.21 H new ATOM 0 HB2 PRO A 35 18.549 -7.526 6.826 1.00 21.32 H new ATOM 0 HB3 PRO A 35 19.804 -6.797 7.807 1.00 21.32 H new ATOM 0 HG2 PRO A 35 19.867 -9.388 6.273 1.00 2.30 H new ATOM 0 HG3 PRO A 35 21.104 -8.153 6.397 1.00 2.30 H new ATOM 0 HD2 PRO A 35 21.218 -10.440 7.871 1.00 22.23 H new ATOM 0 HD3 PRO A 35 21.858 -8.926 8.479 1.00 22.23 H new ATOM 557 N PRO A 36 16.403 -8.467 8.326 1.00 74.10 N ATOM 558 CA PRO A 36 15.092 -9.037 8.001 1.00 70.44 C ATOM 559 C PRO A 36 15.015 -9.528 6.559 1.00 21.40 C ATOM 560 O PRO A 36 15.697 -9.006 5.676 1.00 15.44 O ATOM 561 CB PRO A 36 14.131 -7.866 8.218 1.00 3.24 C ATOM 562 CG PRO A 36 14.968 -6.649 8.024 1.00 1.32 C ATOM 563 CD PRO A 36 16.343 -7.008 8.517 1.00 74.21 C ATOM 0 HA PRO A 36 14.865 -9.911 8.612 1.00 70.44 H new ATOM 0 HB2 PRO A 36 13.304 -7.895 7.508 1.00 3.24 H new ATOM 0 HB3 PRO A 36 13.695 -7.892 9.217 1.00 3.24 H new ATOM 0 HG2 PRO A 36 14.994 -6.357 6.974 1.00 1.32 H new ATOM 0 HG3 PRO A 36 14.562 -5.804 8.580 1.00 1.32 H new ATOM 0 HD2 PRO A 36 17.120 -6.496 7.949 1.00 74.21 H new ATOM 0 HD3 PRO A 36 16.479 -6.734 9.563 1.00 74.21 H new ATOM 571 N THR A 37 14.180 -10.537 6.326 1.00 45.44 N ATOM 572 CA THR A 37 14.015 -11.099 4.991 1.00 1.32 C ATOM 573 C THR A 37 12.843 -10.450 4.263 1.00 64.22 C ATOM 574 O THR A 37 11.689 -10.817 4.475 1.00 33.22 O ATOM 575 CB THR A 37 13.791 -12.622 5.047 1.00 52.42 C ATOM 576 OG1 THR A 37 14.918 -13.261 5.656 1.00 10.21 O ATOM 577 CG2 THR A 37 13.573 -13.188 3.652 1.00 50.22 C ATOM 0 H THR A 37 13.608 -10.981 7.044 1.00 45.44 H new ATOM 0 HA THR A 37 14.936 -10.895 4.445 1.00 1.32 H new ATOM 0 HB THR A 37 12.899 -12.814 5.644 1.00 52.42 H new ATOM 0 HG1 THR A 37 14.767 -14.229 5.689 1.00 10.21 H new ATOM 0 HG21 THR A 37 13.417 -14.265 3.717 1.00 50.22 H new ATOM 0 HG22 THR A 37 12.697 -12.721 3.203 1.00 50.22 H new ATOM 0 HG23 THR A 37 14.449 -12.985 3.036 1.00 50.22 H new ATOM 585 N ASN A 38 13.149 -9.484 3.402 1.00 30.34 N ATOM 586 CA ASN A 38 12.120 -8.785 2.642 1.00 50.41 C ATOM 587 C ASN A 38 11.125 -8.101 3.574 1.00 11.34 C ATOM 588 O ASN A 38 9.965 -7.894 3.219 1.00 55.44 O ATOM 589 CB ASN A 38 11.385 -9.760 1.721 1.00 60.34 C ATOM 590 CG ASN A 38 12.098 -9.954 0.396 1.00 2.33 C ATOM 591 OD1 ASN A 38 11.708 -9.381 -0.621 1.00 10.50 O ATOM 592 ND2 ASN A 38 13.149 -10.765 0.404 1.00 45.14 N ATOM 0 H ASN A 38 14.100 -9.168 3.214 1.00 30.34 H new ATOM 0 HA ASN A 38 12.608 -8.021 2.036 1.00 50.41 H new ATOM 0 HB2 ASN A 38 11.286 -10.723 2.221 1.00 60.34 H new ATOM 0 HB3 ASN A 38 10.376 -9.391 1.537 1.00 60.34 H new ATOM 0 HD21 ASN A 38 13.669 -10.934 -0.457 1.00 45.14 H new ATOM 0 HD22 ASN A 38 13.436 -11.219 1.271 1.00 45.14 H new ATOM 599 N LYS A 39 11.587 -7.751 4.770 1.00 30.32 N ATOM 600 CA LYS A 39 10.740 -7.089 5.755 1.00 52.23 C ATOM 601 C LYS A 39 11.529 -6.043 6.536 1.00 20.21 C ATOM 602 O LYS A 39 12.735 -5.887 6.341 1.00 23.41 O ATOM 603 CB LYS A 39 10.142 -8.117 6.718 1.00 42.10 C ATOM 604 CG LYS A 39 9.259 -9.148 6.036 1.00 2.33 C ATOM 605 CD LYS A 39 8.603 -10.075 7.046 1.00 52.43 C ATOM 606 CE LYS A 39 8.314 -11.441 6.443 1.00 44.24 C ATOM 607 NZ LYS A 39 7.427 -11.345 5.251 1.00 53.23 N ATOM 0 H LYS A 39 12.545 -7.915 5.081 1.00 30.32 H new ATOM 0 HA LYS A 39 9.932 -6.586 5.223 1.00 52.23 H new ATOM 0 HB2 LYS A 39 10.952 -8.630 7.237 1.00 42.10 H new ATOM 0 HB3 LYS A 39 9.558 -7.595 7.476 1.00 42.10 H new ATOM 0 HG2 LYS A 39 8.490 -8.641 5.453 1.00 2.33 H new ATOM 0 HG3 LYS A 39 9.855 -9.734 5.337 1.00 2.33 H new ATOM 0 HD2 LYS A 39 9.254 -10.189 7.913 1.00 52.43 H new ATOM 0 HD3 LYS A 39 7.674 -9.629 7.401 1.00 52.43 H new ATOM 0 HE2 LYS A 39 9.252 -11.919 6.160 1.00 44.24 H new ATOM 0 HE3 LYS A 39 7.846 -12.078 7.194 1.00 44.24 H new ATOM 0 HZ1 LYS A 39 7.117 -12.297 4.971 1.00 53.23 H new ATOM 0 HZ2 LYS A 39 6.596 -10.764 5.483 1.00 53.23 H new ATOM 0 HZ3 LYS A 39 7.948 -10.906 4.465 1.00 53.23 H new ATOM 621 N LEU A 40 10.842 -5.330 7.421 1.00 0.15 N ATOM 622 CA LEU A 40 11.479 -4.300 8.234 1.00 5.41 C ATOM 623 C LEU A 40 11.086 -4.442 9.701 1.00 63.21 C ATOM 624 O LEU A 40 10.073 -5.054 10.041 1.00 43.21 O ATOM 625 CB LEU A 40 11.095 -2.910 7.724 1.00 1.30 C ATOM 626 CG LEU A 40 9.680 -2.769 7.161 1.00 3.33 C ATOM 627 CD1 LEU A 40 9.151 -1.362 7.393 1.00 3.14 C ATOM 628 CD2 LEU A 40 9.660 -3.110 5.679 1.00 74.54 C ATOM 0 H LEU A 40 9.844 -5.446 7.594 1.00 0.15 H new ATOM 0 HA LEU A 40 12.559 -4.425 8.153 1.00 5.41 H new ATOM 0 HB2 LEU A 40 11.211 -2.200 8.543 1.00 1.30 H new ATOM 0 HB3 LEU A 40 11.804 -2.621 6.948 1.00 1.30 H new ATOM 0 HG LEU A 40 9.030 -3.470 7.684 1.00 3.33 H new ATOM 0 HD11 LEU A 40 8.143 -1.280 6.986 1.00 3.14 H new ATOM 0 HD12 LEU A 40 9.128 -1.154 8.463 1.00 3.14 H new ATOM 0 HD13 LEU A 40 9.802 -0.642 6.897 1.00 3.14 H new ATOM 0 HD21 LEU A 40 8.645 -3.004 5.295 1.00 74.54 H new ATOM 0 HD22 LEU A 40 10.324 -2.433 5.141 1.00 74.54 H new ATOM 0 HD23 LEU A 40 9.996 -4.137 5.537 1.00 74.54 H new ATOM 640 N PRO A 41 11.904 -3.863 10.592 1.00 24.01 N ATOM 641 CA PRO A 41 11.661 -3.909 12.037 1.00 62.40 C ATOM 642 C PRO A 41 10.457 -3.069 12.449 1.00 22.44 C ATOM 643 O PRO A 41 10.396 -1.873 12.163 1.00 72.53 O ATOM 644 CB PRO A 41 12.947 -3.330 12.632 1.00 52.51 C ATOM 645 CG PRO A 41 13.503 -2.460 11.558 1.00 52.04 C ATOM 646 CD PRO A 41 13.130 -3.118 10.258 1.00 53.31 C ATOM 0 HA PRO A 41 11.434 -4.918 12.380 1.00 62.40 H new ATOM 0 HB2 PRO A 41 12.742 -2.759 13.538 1.00 52.51 H new ATOM 0 HB3 PRO A 41 13.648 -4.119 12.904 1.00 52.51 H new ATOM 0 HG2 PRO A 41 13.090 -1.453 11.618 1.00 52.04 H new ATOM 0 HG3 PRO A 41 14.585 -2.367 11.652 1.00 52.04 H new ATOM 0 HD2 PRO A 41 12.952 -2.384 9.472 1.00 53.31 H new ATOM 0 HD3 PRO A 41 13.919 -3.781 9.902 1.00 53.31 H new ATOM 654 N ILE A 42 9.503 -3.702 13.123 1.00 20.44 N ATOM 655 CA ILE A 42 8.302 -3.012 13.576 1.00 11.03 C ATOM 656 C ILE A 42 8.165 -3.084 15.093 1.00 22.13 C ATOM 657 O ILE A 42 7.744 -4.103 15.642 1.00 41.22 O ATOM 658 CB ILE A 42 7.035 -3.603 12.929 1.00 2.33 C ATOM 659 CG1 ILE A 42 7.229 -3.751 11.419 1.00 64.11 C ATOM 660 CG2 ILE A 42 5.829 -2.726 13.230 1.00 33.22 C ATOM 661 CD1 ILE A 42 7.544 -2.447 10.719 1.00 31.42 C ATOM 0 H ILE A 42 9.539 -4.692 13.367 1.00 20.44 H new ATOM 0 HA ILE A 42 8.404 -1.970 13.272 1.00 11.03 H new ATOM 0 HB ILE A 42 6.856 -4.592 13.352 1.00 2.33 H new ATOM 0 HG12 ILE A 42 8.037 -4.458 11.232 1.00 64.11 H new ATOM 0 HG13 ILE A 42 6.325 -4.178 10.985 1.00 64.11 H new ATOM 0 HG21 ILE A 42 4.941 -3.156 12.766 1.00 33.22 H new ATOM 0 HG22 ILE A 42 5.682 -2.667 14.308 1.00 33.22 H new ATOM 0 HG23 ILE A 42 5.998 -1.726 12.831 1.00 33.22 H new ATOM 0 HD11 ILE A 42 7.669 -2.628 9.651 1.00 31.42 H new ATOM 0 HD12 ILE A 42 6.726 -1.744 10.875 1.00 31.42 H new ATOM 0 HD13 ILE A 42 8.465 -2.029 11.126 1.00 31.42 H new ATOM 673 N PHE A 43 8.522 -1.995 15.766 1.00 25.55 N ATOM 674 CA PHE A 43 8.439 -1.934 17.221 1.00 21.31 C ATOM 675 C PHE A 43 7.003 -1.685 17.674 1.00 43.05 C ATOM 676 O PHE A 43 6.474 -0.584 17.518 1.00 32.41 O ATOM 677 CB PHE A 43 9.354 -0.833 17.760 1.00 41.32 C ATOM 678 CG PHE A 43 9.516 -0.864 19.253 1.00 74.23 C ATOM 679 CD1 PHE A 43 9.952 -2.013 19.891 1.00 23.55 C ATOM 680 CD2 PHE A 43 9.230 0.255 20.017 1.00 0.44 C ATOM 681 CE1 PHE A 43 10.102 -2.046 21.265 1.00 4.21 C ATOM 682 CE2 PHE A 43 9.379 0.229 21.391 1.00 14.22 C ATOM 683 CZ PHE A 43 9.814 -0.923 22.016 1.00 61.10 C ATOM 0 H PHE A 43 8.871 -1.143 15.327 1.00 25.55 H new ATOM 0 HA PHE A 43 8.766 -2.895 17.619 1.00 21.31 H new ATOM 0 HB2 PHE A 43 10.335 -0.927 17.294 1.00 41.32 H new ATOM 0 HB3 PHE A 43 8.953 0.137 17.466 1.00 41.32 H new ATOM 0 HD1 PHE A 43 10.178 -2.894 19.308 1.00 23.55 H new ATOM 0 HD2 PHE A 43 8.887 1.158 19.534 1.00 0.44 H new ATOM 0 HE1 PHE A 43 10.444 -2.948 21.750 1.00 4.21 H new ATOM 0 HE2 PHE A 43 9.155 1.109 21.975 1.00 14.22 H new ATOM 0 HZ PHE A 43 9.929 -0.946 23.090 1.00 61.10 H new ATOM 693 N PHE A 44 6.378 -2.715 18.234 1.00 64.43 N ATOM 694 CA PHE A 44 5.003 -2.610 18.708 1.00 44.23 C ATOM 695 C PHE A 44 4.932 -1.786 19.990 1.00 31.33 C ATOM 696 O PHE A 44 5.519 -2.151 21.009 1.00 22.01 O ATOM 697 CB PHE A 44 4.416 -4.002 18.949 1.00 63.02 C ATOM 698 CG PHE A 44 3.691 -4.561 17.758 1.00 21.22 C ATOM 699 CD1 PHE A 44 4.387 -5.194 16.741 1.00 41.22 C ATOM 700 CD2 PHE A 44 2.313 -4.454 17.656 1.00 5.33 C ATOM 701 CE1 PHE A 44 3.723 -5.710 15.644 1.00 51.21 C ATOM 702 CE2 PHE A 44 1.644 -4.968 16.562 1.00 31.22 C ATOM 703 CZ PHE A 44 2.349 -5.596 15.554 1.00 5.12 C ATOM 0 H PHE A 44 6.802 -3.633 18.371 1.00 64.43 H new ATOM 0 HA PHE A 44 4.417 -2.105 17.940 1.00 44.23 H new ATOM 0 HB2 PHE A 44 5.220 -4.683 19.228 1.00 63.02 H new ATOM 0 HB3 PHE A 44 3.729 -3.957 19.794 1.00 63.02 H new ATOM 0 HD1 PHE A 44 5.461 -5.285 16.806 1.00 41.22 H new ATOM 0 HD2 PHE A 44 1.756 -3.963 18.440 1.00 5.33 H new ATOM 0 HE1 PHE A 44 4.277 -6.202 14.858 1.00 51.21 H new ATOM 0 HE2 PHE A 44 0.570 -4.879 16.495 1.00 31.22 H new ATOM 0 HZ PHE A 44 1.828 -5.997 14.697 1.00 5.12 H new ATOM 713 N PHE A 45 4.209 -0.673 19.932 1.00 53.00 N ATOM 714 CA PHE A 45 4.061 0.204 21.088 1.00 50.24 C ATOM 715 C PHE A 45 3.040 -0.360 22.072 1.00 42.15 C ATOM 716 O PHE A 45 2.067 -1.000 21.675 1.00 64.20 O ATOM 717 CB PHE A 45 3.636 1.604 20.641 1.00 53.44 C ATOM 718 CG PHE A 45 4.792 2.525 20.373 1.00 72.05 C ATOM 719 CD1 PHE A 45 5.819 2.655 21.293 1.00 20.33 C ATOM 720 CD2 PHE A 45 4.852 3.260 19.200 1.00 55.23 C ATOM 721 CE1 PHE A 45 6.883 3.502 21.049 1.00 25.23 C ATOM 722 CE2 PHE A 45 5.914 4.109 18.950 1.00 72.40 C ATOM 723 CZ PHE A 45 6.932 4.229 19.876 1.00 74.33 C ATOM 0 H PHE A 45 3.716 -0.357 19.097 1.00 53.00 H new ATOM 0 HA PHE A 45 5.026 0.268 21.590 1.00 50.24 H new ATOM 0 HB2 PHE A 45 3.032 1.520 19.738 1.00 53.44 H new ATOM 0 HB3 PHE A 45 3.001 2.045 21.410 1.00 53.44 H new ATOM 0 HD1 PHE A 45 5.788 2.088 22.212 1.00 20.33 H new ATOM 0 HD2 PHE A 45 4.059 3.169 18.472 1.00 55.23 H new ATOM 0 HE1 PHE A 45 7.676 3.595 21.776 1.00 25.23 H new ATOM 0 HE2 PHE A 45 5.948 4.677 18.032 1.00 72.40 H new ATOM 0 HZ PHE A 45 7.764 4.890 19.683 1.00 74.33 H new ATOM 733 N GLY A 46 3.270 -0.117 23.358 1.00 25.14 N ATOM 734 CA GLY A 46 2.364 -0.608 24.380 1.00 53.32 C ATOM 735 C GLY A 46 2.755 -1.980 24.892 1.00 41.41 C ATOM 736 O GLY A 46 2.621 -2.269 26.081 1.00 35.04 O ATOM 0 H GLY A 46 4.068 0.411 23.711 1.00 25.14 H new ATOM 0 HA2 GLY A 46 2.345 0.095 25.213 1.00 53.32 H new ATOM 0 HA3 GLY A 46 1.353 -0.649 23.975 1.00 53.32 H new ATOM 740 N THR A 47 3.240 -2.830 23.992 1.00 41.41 N ATOM 741 CA THR A 47 3.649 -4.179 24.358 1.00 24.53 C ATOM 742 C THR A 47 5.158 -4.351 24.227 1.00 63.34 C ATOM 743 O THR A 47 5.704 -5.405 24.554 1.00 22.35 O ATOM 744 CB THR A 47 2.946 -5.236 23.486 1.00 72.12 C ATOM 745 OG1 THR A 47 3.482 -5.211 22.158 1.00 30.12 O ATOM 746 CG2 THR A 47 1.446 -4.986 23.437 1.00 20.22 C ATOM 0 H THR A 47 3.359 -2.607 23.004 1.00 41.41 H new ATOM 0 HA THR A 47 3.358 -4.325 25.398 1.00 24.53 H new ATOM 0 HB THR A 47 3.121 -6.216 23.930 1.00 72.12 H new ATOM 0 HG1 THR A 47 2.848 -5.633 21.541 1.00 30.12 H new ATOM 0 HG21 THR A 47 0.971 -5.745 22.815 1.00 20.22 H new ATOM 0 HG22 THR A 47 1.036 -5.034 24.446 1.00 20.22 H new ATOM 0 HG23 THR A 47 1.255 -3.999 23.015 1.00 20.22 H new ATOM 754 N HIS A 48 5.828 -3.309 23.746 1.00 43.25 N ATOM 755 CA HIS A 48 7.276 -3.345 23.572 1.00 41.41 C ATOM 756 C HIS A 48 7.699 -4.584 22.789 1.00 50.21 C ATOM 757 O HIS A 48 8.784 -5.123 23.002 1.00 44.22 O ATOM 758 CB HIS A 48 7.975 -3.323 24.932 1.00 74.32 C ATOM 759 CG HIS A 48 7.937 -1.985 25.604 1.00 72.32 C ATOM 760 ND1 HIS A 48 7.868 -0.796 24.909 1.00 34.13 N ATOM 761 CD2 HIS A 48 7.957 -1.653 26.916 1.00 42.44 C ATOM 762 CE1 HIS A 48 7.849 0.210 25.765 1.00 52.42 C ATOM 763 NE2 HIS A 48 7.902 -0.282 26.989 1.00 32.41 N ATOM 0 H HIS A 48 5.392 -2.429 23.470 1.00 43.25 H new ATOM 0 HA HIS A 48 7.571 -2.461 23.006 1.00 41.41 H new ATOM 0 HB2 HIS A 48 7.507 -4.061 25.584 1.00 74.32 H new ATOM 0 HB3 HIS A 48 9.014 -3.626 24.802 1.00 74.32 H new ATOM 0 HD2 HIS A 48 8.007 -2.338 27.750 1.00 42.44 H new ATOM 0 HE1 HIS A 48 7.799 1.258 25.507 1.00 52.42 H new ATOM 0 HE2 HIS A 48 7.902 0.266 27.849 1.00 32.41 H new ATOM 771 N GLU A 49 6.834 -5.030 21.883 1.00 13.25 N ATOM 772 CA GLU A 49 7.118 -6.207 21.071 1.00 41.54 C ATOM 773 C GLU A 49 7.777 -5.811 19.752 1.00 10.23 C ATOM 774 O GLU A 49 7.929 -4.626 19.451 1.00 20.42 O ATOM 775 CB GLU A 49 5.831 -6.987 20.796 1.00 22.41 C ATOM 776 CG GLU A 49 5.188 -7.560 22.048 1.00 53.31 C ATOM 777 CD GLU A 49 3.833 -8.184 21.774 1.00 23.42 C ATOM 778 OE1 GLU A 49 3.464 -8.306 20.588 1.00 42.24 O ATOM 779 OE2 GLU A 49 3.143 -8.552 22.748 1.00 73.03 O ATOM 0 H GLU A 49 5.932 -4.594 21.693 1.00 13.25 H new ATOM 0 HA GLU A 49 7.808 -6.842 21.626 1.00 41.54 H new ATOM 0 HB2 GLU A 49 5.117 -6.330 20.299 1.00 22.41 H new ATOM 0 HB3 GLU A 49 6.050 -7.801 20.105 1.00 22.41 H new ATOM 0 HG2 GLU A 49 5.849 -8.311 22.480 1.00 53.31 H new ATOM 0 HG3 GLU A 49 5.076 -6.769 22.789 1.00 53.31 H new ATOM 786 N THR A 50 8.168 -6.811 18.969 1.00 75.42 N ATOM 787 CA THR A 50 8.812 -6.569 17.684 1.00 34.50 C ATOM 788 C THR A 50 8.468 -7.665 16.682 1.00 71.43 C ATOM 789 O THR A 50 8.683 -8.848 16.943 1.00 34.55 O ATOM 790 CB THR A 50 10.343 -6.485 17.830 1.00 14.12 C ATOM 791 OG1 THR A 50 10.962 -6.551 16.541 1.00 42.11 O ATOM 792 CG2 THR A 50 10.866 -7.612 18.708 1.00 75.01 C ATOM 0 H THR A 50 8.050 -7.797 19.202 1.00 75.42 H new ATOM 0 HA THR A 50 8.436 -5.614 17.317 1.00 34.50 H new ATOM 0 HB THR A 50 10.589 -5.534 18.303 1.00 14.12 H new ATOM 0 HG1 THR A 50 11.935 -6.495 16.642 1.00 42.11 H new ATOM 0 HG21 THR A 50 11.949 -7.532 18.796 1.00 75.01 H new ATOM 0 HG22 THR A 50 10.415 -7.541 19.698 1.00 75.01 H new ATOM 0 HG23 THR A 50 10.609 -8.572 18.260 1.00 75.01 H new ATOM 800 N ALA A 51 7.934 -7.264 15.533 1.00 53.11 N ATOM 801 CA ALA A 51 7.563 -8.212 14.490 1.00 20.41 C ATOM 802 C ALA A 51 8.029 -7.732 13.120 1.00 5.00 C ATOM 803 O ALA A 51 7.915 -6.551 12.793 1.00 15.40 O ATOM 804 CB ALA A 51 6.058 -8.434 14.489 1.00 32.34 C ATOM 0 H ALA A 51 7.749 -6.288 15.301 1.00 53.11 H new ATOM 0 HA ALA A 51 8.059 -9.159 14.702 1.00 20.41 H new ATOM 0 HB1 ALA A 51 5.796 -9.144 13.705 1.00 32.34 H new ATOM 0 HB2 ALA A 51 5.748 -8.830 15.456 1.00 32.34 H new ATOM 0 HB3 ALA A 51 5.551 -7.487 14.305 1.00 32.34 H new ATOM 810 N PHE A 52 8.557 -8.655 12.323 1.00 50.14 N ATOM 811 CA PHE A 52 9.043 -8.325 10.988 1.00 53.22 C ATOM 812 C PHE A 52 7.927 -8.457 9.955 1.00 2.30 C ATOM 813 O PHE A 52 7.462 -9.560 9.664 1.00 11.52 O ATOM 814 CB PHE A 52 10.214 -9.234 10.609 1.00 51.40 C ATOM 815 CG PHE A 52 11.508 -8.850 11.269 1.00 73.53 C ATOM 816 CD1 PHE A 52 12.011 -7.566 11.142 1.00 4.13 C ATOM 817 CD2 PHE A 52 12.221 -9.775 12.015 1.00 75.21 C ATOM 818 CE1 PHE A 52 13.202 -7.210 11.748 1.00 15.15 C ATOM 819 CE2 PHE A 52 13.411 -9.425 12.624 1.00 52.14 C ATOM 820 CZ PHE A 52 13.903 -8.141 12.489 1.00 34.12 C ATOM 0 H PHE A 52 8.659 -9.637 12.578 1.00 50.14 H new ATOM 0 HA PHE A 52 9.384 -7.290 10.998 1.00 53.22 H new ATOM 0 HB2 PHE A 52 9.968 -10.261 10.879 1.00 51.40 H new ATOM 0 HB3 PHE A 52 10.346 -9.211 9.527 1.00 51.40 H new ATOM 0 HD1 PHE A 52 11.467 -6.834 10.563 1.00 4.13 H new ATOM 0 HD2 PHE A 52 11.842 -10.781 12.122 1.00 75.21 H new ATOM 0 HE1 PHE A 52 13.583 -6.205 11.642 1.00 15.15 H new ATOM 0 HE2 PHE A 52 13.956 -10.154 13.205 1.00 52.14 H new ATOM 0 HZ PHE A 52 14.834 -7.866 12.962 1.00 34.12 H new ATOM 830 N LEU A 53 7.502 -7.325 9.405 1.00 41.14 N ATOM 831 CA LEU A 53 6.441 -7.312 8.404 1.00 35.21 C ATOM 832 C LEU A 53 6.809 -6.410 7.230 1.00 21.44 C ATOM 833 O LEU A 53 7.177 -5.251 7.417 1.00 72.24 O ATOM 834 CB LEU A 53 5.127 -6.841 9.031 1.00 23.13 C ATOM 835 CG LEU A 53 4.774 -7.452 10.388 1.00 4.30 C ATOM 836 CD1 LEU A 53 3.685 -6.640 11.071 1.00 33.24 C ATOM 837 CD2 LEU A 53 4.339 -8.901 10.224 1.00 44.41 C ATOM 0 H LEU A 53 7.876 -6.404 9.635 1.00 41.14 H new ATOM 0 HA LEU A 53 6.316 -8.329 8.031 1.00 35.21 H new ATOM 0 HB2 LEU A 53 5.169 -5.758 9.143 1.00 23.13 H new ATOM 0 HB3 LEU A 53 4.317 -7.059 8.335 1.00 23.13 H new ATOM 0 HG LEU A 53 5.664 -7.430 11.017 1.00 4.30 H new ATOM 0 HD11 LEU A 53 3.447 -7.089 12.035 1.00 33.24 H new ATOM 0 HD12 LEU A 53 4.034 -5.619 11.223 1.00 33.24 H new ATOM 0 HD13 LEU A 53 2.793 -6.629 10.445 1.00 33.24 H new ATOM 0 HD21 LEU A 53 4.092 -9.319 11.200 1.00 44.41 H new ATOM 0 HD22 LEU A 53 3.463 -8.947 9.577 1.00 44.41 H new ATOM 0 HD23 LEU A 53 5.150 -9.476 9.778 1.00 44.41 H new ATOM 849 N GLY A 54 6.706 -6.951 6.020 1.00 52.21 N ATOM 850 CA GLY A 54 7.030 -6.180 4.834 1.00 73.45 C ATOM 851 C GLY A 54 6.264 -4.874 4.763 1.00 31.15 C ATOM 852 O GLY A 54 5.428 -4.574 5.616 1.00 54.44 O ATOM 0 H GLY A 54 6.404 -7.909 5.840 1.00 52.21 H new ATOM 0 HA2 GLY A 54 8.100 -5.971 4.822 1.00 73.45 H new ATOM 0 HA3 GLY A 54 6.811 -6.775 3.947 1.00 73.45 H new ATOM 856 N PRO A 55 6.550 -4.071 3.728 1.00 11.21 N ATOM 857 CA PRO A 55 5.893 -2.776 3.526 1.00 5.31 C ATOM 858 C PRO A 55 4.428 -2.924 3.133 1.00 53.12 C ATOM 859 O PRO A 55 3.578 -2.140 3.556 1.00 41.52 O ATOM 860 CB PRO A 55 6.693 -2.147 2.382 1.00 22.32 C ATOM 861 CG PRO A 55 7.269 -3.305 1.642 1.00 3.12 C ATOM 862 CD PRO A 55 7.536 -4.365 2.675 1.00 74.25 C ATOM 0 HA PRO A 55 5.883 -2.178 4.437 1.00 5.31 H new ATOM 0 HB2 PRO A 55 6.054 -1.543 1.737 1.00 22.32 H new ATOM 0 HB3 PRO A 55 7.476 -1.490 2.761 1.00 22.32 H new ATOM 0 HG2 PRO A 55 6.576 -3.666 0.882 1.00 3.12 H new ATOM 0 HG3 PRO A 55 8.187 -3.022 1.127 1.00 3.12 H new ATOM 0 HD2 PRO A 55 7.401 -5.367 2.267 1.00 74.25 H new ATOM 0 HD3 PRO A 55 8.557 -4.309 3.053 1.00 74.25 H new ATOM 870 N LYS A 56 4.137 -3.935 2.321 1.00 10.21 N ATOM 871 CA LYS A 56 2.773 -4.188 1.871 1.00 3.14 C ATOM 872 C LYS A 56 1.903 -4.679 3.023 1.00 33.35 C ATOM 873 O LYS A 56 0.679 -4.749 2.904 1.00 65.34 O ATOM 874 CB LYS A 56 2.770 -5.219 0.740 1.00 3.32 C ATOM 875 CG LYS A 56 3.700 -4.865 -0.408 1.00 12.33 C ATOM 876 CD LYS A 56 3.249 -5.508 -1.709 1.00 3.24 C ATOM 877 CE LYS A 56 3.611 -6.984 -1.755 1.00 20.41 C ATOM 878 NZ LYS A 56 3.594 -7.516 -3.146 1.00 31.33 N ATOM 0 H LYS A 56 4.828 -4.593 1.961 1.00 10.21 H new ATOM 0 HA LYS A 56 2.359 -3.250 1.500 1.00 3.14 H new ATOM 0 HB2 LYS A 56 3.058 -6.190 1.144 1.00 3.32 H new ATOM 0 HB3 LYS A 56 1.755 -5.322 0.356 1.00 3.32 H new ATOM 0 HG2 LYS A 56 3.735 -3.782 -0.529 1.00 12.33 H new ATOM 0 HG3 LYS A 56 4.713 -5.192 -0.171 1.00 12.33 H new ATOM 0 HD2 LYS A 56 2.171 -5.393 -1.818 1.00 3.24 H new ATOM 0 HD3 LYS A 56 3.711 -4.992 -2.551 1.00 3.24 H new ATOM 0 HE2 LYS A 56 4.601 -7.129 -1.323 1.00 20.41 H new ATOM 0 HE3 LYS A 56 2.910 -7.549 -1.141 1.00 20.41 H new ATOM 0 HZ1 LYS A 56 3.846 -8.525 -3.135 1.00 31.33 H new ATOM 0 HZ2 LYS A 56 2.643 -7.401 -3.550 1.00 31.33 H new ATOM 0 HZ3 LYS A 56 4.282 -6.994 -3.726 1.00 31.33 H new ATOM 892 N ASP A 57 2.541 -5.017 4.139 1.00 52.14 N ATOM 893 CA ASP A 57 1.824 -5.499 5.313 1.00 20.35 C ATOM 894 C ASP A 57 1.556 -4.360 6.292 1.00 74.11 C ATOM 895 O ASP A 57 0.602 -4.409 7.070 1.00 42.23 O ATOM 896 CB ASP A 57 2.622 -6.605 6.006 1.00 61.33 C ATOM 897 CG ASP A 57 2.289 -7.983 5.468 1.00 50.03 C ATOM 898 OD1 ASP A 57 2.000 -8.094 4.258 1.00 54.23 O ATOM 899 OD2 ASP A 57 2.319 -8.951 6.256 1.00 15.54 O ATOM 0 H ASP A 57 3.553 -4.966 4.255 1.00 52.14 H new ATOM 0 HA ASP A 57 0.867 -5.904 4.983 1.00 20.35 H new ATOM 0 HB2 ASP A 57 3.688 -6.416 5.877 1.00 61.33 H new ATOM 0 HB3 ASP A 57 2.421 -6.578 7.077 1.00 61.33 H new ATOM 904 N ILE A 58 2.403 -3.337 6.248 1.00 75.31 N ATOM 905 CA ILE A 58 2.256 -2.186 7.130 1.00 22.54 C ATOM 906 C ILE A 58 1.552 -1.035 6.420 1.00 25.12 C ATOM 907 O ILE A 58 1.860 -0.720 5.271 1.00 41.35 O ATOM 908 CB ILE A 58 3.622 -1.697 7.649 1.00 75.43 C ATOM 909 CG1 ILE A 58 4.577 -1.452 6.479 1.00 25.34 C ATOM 910 CG2 ILE A 58 4.212 -2.708 8.620 1.00 23.31 C ATOM 911 CD1 ILE A 58 5.886 -0.814 6.892 1.00 75.41 C ATOM 0 H ILE A 58 3.198 -3.282 5.611 1.00 75.31 H new ATOM 0 HA ILE A 58 1.650 -2.512 7.976 1.00 22.54 H new ATOM 0 HB ILE A 58 3.478 -0.756 8.179 1.00 75.43 H new ATOM 0 HG12 ILE A 58 4.784 -2.401 5.985 1.00 25.34 H new ATOM 0 HG13 ILE A 58 4.085 -0.812 5.747 1.00 25.34 H new ATOM 0 HG21 ILE A 58 5.177 -2.349 8.978 1.00 23.31 H new ATOM 0 HG22 ILE A 58 3.537 -2.837 9.466 1.00 23.31 H new ATOM 0 HG23 ILE A 58 4.346 -3.664 8.113 1.00 23.31 H new ATOM 0 HD11 ILE A 58 6.514 -0.670 6.013 1.00 75.41 H new ATOM 0 HD12 ILE A 58 5.689 0.151 7.360 1.00 75.41 H new ATOM 0 HD13 ILE A 58 6.399 -1.463 7.601 1.00 75.41 H new ATOM 923 N PHE A 59 0.607 -0.409 7.113 1.00 2.03 N ATOM 924 CA PHE A 59 -0.140 0.709 6.550 1.00 74.03 C ATOM 925 C PHE A 59 0.085 1.980 7.364 1.00 64.25 C ATOM 926 O PHE A 59 0.536 1.942 8.509 1.00 43.04 O ATOM 927 CB PHE A 59 -1.634 0.379 6.502 1.00 42.11 C ATOM 928 CG PHE A 59 -2.085 -0.165 5.177 1.00 74.12 C ATOM 929 CD1 PHE A 59 -1.685 -1.424 4.757 1.00 14.51 C ATOM 930 CD2 PHE A 59 -2.909 0.582 4.351 1.00 54.04 C ATOM 931 CE1 PHE A 59 -2.099 -1.928 3.538 1.00 15.55 C ATOM 932 CE2 PHE A 59 -3.327 0.083 3.131 1.00 0.13 C ATOM 933 CZ PHE A 59 -2.921 -1.173 2.724 1.00 5.41 C ATOM 0 H PHE A 59 0.340 -0.657 8.066 1.00 2.03 H new ATOM 0 HA PHE A 59 0.221 0.880 5.536 1.00 74.03 H new ATOM 0 HB2 PHE A 59 -1.863 -0.348 7.281 1.00 42.11 H new ATOM 0 HB3 PHE A 59 -2.204 1.280 6.729 1.00 42.11 H new ATOM 0 HD1 PHE A 59 -1.042 -2.018 5.390 1.00 14.51 H new ATOM 0 HD2 PHE A 59 -3.229 1.565 4.663 1.00 54.04 H new ATOM 0 HE1 PHE A 59 -1.780 -2.911 3.223 1.00 15.55 H new ATOM 0 HE2 PHE A 59 -3.970 0.675 2.497 1.00 0.13 H new ATOM 0 HZ PHE A 59 -3.246 -1.564 1.771 1.00 5.41 H new ATOM 943 N PRO A 60 -0.235 3.134 6.759 1.00 24.41 N ATOM 944 CA PRO A 60 -0.075 4.438 7.408 1.00 15.24 C ATOM 945 C PRO A 60 -1.070 4.645 8.546 1.00 61.32 C ATOM 946 O PRO A 60 -2.266 4.397 8.390 1.00 1.42 O ATOM 947 CB PRO A 60 -0.344 5.433 6.276 1.00 23.04 C ATOM 948 CG PRO A 60 -1.210 4.691 5.318 1.00 50.42 C ATOM 949 CD PRO A 60 -0.777 3.253 5.395 1.00 11.43 C ATOM 0 HA PRO A 60 0.908 4.547 7.866 1.00 15.24 H new ATOM 0 HB2 PRO A 60 -0.841 6.329 6.647 1.00 23.04 H new ATOM 0 HB3 PRO A 60 0.584 5.755 5.803 1.00 23.04 H new ATOM 0 HG2 PRO A 60 -2.262 4.796 5.582 1.00 50.42 H new ATOM 0 HG3 PRO A 60 -1.094 5.080 4.306 1.00 50.42 H new ATOM 0 HD2 PRO A 60 -1.613 2.572 5.234 1.00 11.43 H new ATOM 0 HD3 PRO A 60 -0.025 3.019 4.642 1.00 11.43 H new ATOM 957 N TYR A 61 -0.568 5.100 9.689 1.00 72.44 N ATOM 958 CA TYR A 61 -1.413 5.338 10.853 1.00 22.50 C ATOM 959 C TYR A 61 -2.426 6.444 10.574 1.00 31.53 C ATOM 960 O TYR A 61 -3.398 6.610 11.311 1.00 54.15 O ATOM 961 CB TYR A 61 -0.555 5.710 12.064 1.00 72.42 C ATOM 962 CG TYR A 61 -0.464 7.199 12.307 1.00 55.23 C ATOM 963 CD1 TYR A 61 0.321 8.009 11.495 1.00 72.41 C ATOM 964 CD2 TYR A 61 -1.163 7.797 13.348 1.00 1.13 C ATOM 965 CE1 TYR A 61 0.407 9.370 11.713 1.00 24.14 C ATOM 966 CE2 TYR A 61 -1.083 9.158 13.573 1.00 34.33 C ATOM 967 CZ TYR A 61 -0.297 9.940 12.753 1.00 21.24 C ATOM 968 OH TYR A 61 -0.214 11.295 12.975 1.00 1.41 O ATOM 0 H TYR A 61 0.419 5.311 9.834 1.00 72.44 H new ATOM 0 HA TYR A 61 -1.957 4.419 11.070 1.00 22.50 H new ATOM 0 HB2 TYR A 61 -0.967 5.230 12.952 1.00 72.42 H new ATOM 0 HB3 TYR A 61 0.450 5.311 11.923 1.00 72.42 H new ATOM 0 HD1 TYR A 61 0.873 7.566 10.679 1.00 72.41 H new ATOM 0 HD2 TYR A 61 -1.779 7.188 13.992 1.00 1.13 H new ATOM 0 HE1 TYR A 61 1.022 9.985 11.073 1.00 24.14 H new ATOM 0 HE2 TYR A 61 -1.633 9.607 14.387 1.00 34.33 H new ATOM 0 HH TYR A 61 -0.771 11.535 13.745 1.00 1.41 H new ATOM 978 N SER A 62 -2.191 7.197 9.505 1.00 63.23 N ATOM 979 CA SER A 62 -3.080 8.289 9.129 1.00 51.54 C ATOM 980 C SER A 62 -4.431 7.755 8.662 1.00 65.32 C ATOM 981 O SER A 62 -5.420 8.485 8.626 1.00 11.22 O ATOM 982 CB SER A 62 -2.444 9.135 8.024 1.00 52.42 C ATOM 983 OG SER A 62 -2.958 10.456 8.033 1.00 52.00 O ATOM 0 H SER A 62 -1.392 7.071 8.884 1.00 63.23 H new ATOM 0 HA SER A 62 -3.240 8.913 10.008 1.00 51.54 H new ATOM 0 HB2 SER A 62 -1.363 9.161 8.159 1.00 52.42 H new ATOM 0 HB3 SER A 62 -2.633 8.674 7.054 1.00 52.42 H new ATOM 0 HG SER A 62 -2.535 10.977 7.319 1.00 52.00 H new ATOM 989 N GLU A 63 -4.462 6.474 8.305 1.00 43.52 N ATOM 990 CA GLU A 63 -5.690 5.842 7.839 1.00 31.32 C ATOM 991 C GLU A 63 -6.386 5.101 8.978 1.00 41.13 C ATOM 992 O GLU A 63 -7.613 5.055 9.044 1.00 55.54 O ATOM 993 CB GLU A 63 -5.388 4.872 6.695 1.00 55.14 C ATOM 994 CG GLU A 63 -6.495 4.793 5.656 1.00 2.41 C ATOM 995 CD GLU A 63 -6.356 5.847 4.575 1.00 41.24 C ATOM 996 OE1 GLU A 63 -5.228 6.042 4.077 1.00 64.03 O ATOM 997 OE2 GLU A 63 -7.377 6.477 4.226 1.00 23.13 O ATOM 0 H GLU A 63 -3.652 5.855 8.330 1.00 43.52 H new ATOM 0 HA GLU A 63 -6.356 6.625 7.476 1.00 31.32 H new ATOM 0 HB2 GLU A 63 -4.463 5.177 6.206 1.00 55.14 H new ATOM 0 HB3 GLU A 63 -5.217 3.878 7.108 1.00 55.14 H new ATOM 0 HG2 GLU A 63 -6.488 3.804 5.197 1.00 2.41 H new ATOM 0 HG3 GLU A 63 -7.460 4.909 6.149 1.00 2.41 H new ATOM 1004 N ASN A 64 -5.591 4.522 9.872 1.00 73.22 N ATOM 1005 CA ASN A 64 -6.130 3.782 11.007 1.00 21.13 C ATOM 1006 C ASN A 64 -6.562 4.732 12.120 1.00 2.12 C ATOM 1007 O ASN A 64 -7.610 4.547 12.738 1.00 35.10 O ATOM 1008 CB ASN A 64 -5.089 2.795 11.539 1.00 31.25 C ATOM 1009 CG ASN A 64 -4.659 1.787 10.491 1.00 20.01 C ATOM 1010 OD1 ASN A 64 -5.135 0.652 10.474 1.00 65.45 O ATOM 1011 ND2 ASN A 64 -3.754 2.199 9.611 1.00 53.03 N ATOM 0 H ASN A 64 -4.572 4.551 9.832 1.00 73.22 H new ATOM 0 HA ASN A 64 -7.005 3.229 10.666 1.00 21.13 H new ATOM 0 HB2 ASN A 64 -4.216 3.346 11.889 1.00 31.25 H new ATOM 0 HB3 ASN A 64 -5.499 2.267 12.400 1.00 31.25 H new ATOM 0 HD21 ASN A 64 -3.426 1.565 8.882 1.00 53.03 H new ATOM 0 HD22 ASN A 64 -3.387 3.149 9.664 1.00 53.03 H new ATOM 1018 N LYS A 65 -5.746 5.751 12.370 1.00 33.24 N ATOM 1019 CA LYS A 65 -6.043 6.732 13.407 1.00 51.31 C ATOM 1020 C LYS A 65 -7.409 7.371 13.176 1.00 3.32 C ATOM 1021 O LYS A 65 -8.051 7.840 14.115 1.00 3.24 O ATOM 1022 CB LYS A 65 -4.961 7.814 13.439 1.00 61.02 C ATOM 1023 CG LYS A 65 -5.060 8.807 12.294 1.00 43.12 C ATOM 1024 CD LYS A 65 -3.956 9.849 12.362 1.00 24.23 C ATOM 1025 CE LYS A 65 -4.342 11.120 11.622 1.00 60.02 C ATOM 1026 NZ LYS A 65 -3.154 11.959 11.303 1.00 63.13 N ATOM 0 H LYS A 65 -4.874 5.919 11.868 1.00 33.24 H new ATOM 0 HA LYS A 65 -6.060 6.216 14.367 1.00 51.31 H new ATOM 0 HB2 LYS A 65 -5.027 8.354 14.384 1.00 61.02 H new ATOM 0 HB3 LYS A 65 -3.981 7.337 13.412 1.00 61.02 H new ATOM 0 HG2 LYS A 65 -5.002 8.275 11.344 1.00 43.12 H new ATOM 0 HG3 LYS A 65 -6.031 9.302 12.323 1.00 43.12 H new ATOM 0 HD2 LYS A 65 -3.741 10.085 13.404 1.00 24.23 H new ATOM 0 HD3 LYS A 65 -3.042 9.440 11.932 1.00 24.23 H new ATOM 0 HE2 LYS A 65 -4.861 10.860 10.699 1.00 60.02 H new ATOM 0 HE3 LYS A 65 -5.041 11.696 12.229 1.00 60.02 H new ATOM 0 HZ1 LYS A 65 -3.459 12.816 10.799 1.00 63.13 H new ATOM 0 HZ2 LYS A 65 -2.673 12.229 12.185 1.00 63.13 H new ATOM 0 HZ3 LYS A 65 -2.499 11.419 10.702 1.00 63.13 H new ATOM 1040 N GLU A 66 -7.847 7.385 11.921 1.00 65.40 N ATOM 1041 CA GLU A 66 -9.137 7.966 11.569 1.00 63.32 C ATOM 1042 C GLU A 66 -10.257 6.942 11.730 1.00 63.25 C ATOM 1043 O GLU A 66 -11.432 7.298 11.818 1.00 2.30 O ATOM 1044 CB GLU A 66 -9.110 8.488 10.131 1.00 74.54 C ATOM 1045 CG GLU A 66 -10.335 9.306 9.758 1.00 72.24 C ATOM 1046 CD GLU A 66 -10.178 10.019 8.429 1.00 61.45 C ATOM 1047 OE1 GLU A 66 -10.403 9.376 7.381 1.00 11.33 O ATOM 1048 OE2 GLU A 66 -9.830 11.218 8.435 1.00 23.32 O ATOM 0 H GLU A 66 -7.328 7.001 11.132 1.00 65.40 H new ATOM 0 HA GLU A 66 -9.330 8.798 12.246 1.00 63.32 H new ATOM 0 HB2 GLU A 66 -8.219 9.100 9.992 1.00 74.54 H new ATOM 0 HB3 GLU A 66 -9.026 7.643 9.448 1.00 74.54 H new ATOM 0 HG2 GLU A 66 -11.205 8.651 9.714 1.00 72.24 H new ATOM 0 HG3 GLU A 66 -10.528 10.041 10.540 1.00 72.24 H new ATOM 1055 N LYS A 67 -9.884 5.667 11.766 1.00 60.11 N ATOM 1056 CA LYS A 67 -10.855 4.589 11.916 1.00 3.55 C ATOM 1057 C LYS A 67 -11.371 4.519 13.350 1.00 21.41 C ATOM 1058 O LYS A 67 -12.562 4.701 13.601 1.00 75.32 O ATOM 1059 CB LYS A 67 -10.227 3.251 11.522 1.00 23.35 C ATOM 1060 CG LYS A 67 -9.960 3.119 10.033 1.00 23.01 C ATOM 1061 CD LYS A 67 -11.197 2.653 9.284 1.00 41.52 C ATOM 1062 CE LYS A 67 -11.254 1.136 9.191 1.00 53.42 C ATOM 1063 NZ LYS A 67 -10.533 0.626 7.992 1.00 52.52 N ATOM 0 H LYS A 67 -8.916 5.355 11.693 1.00 60.11 H new ATOM 0 HA LYS A 67 -11.697 4.796 11.255 1.00 3.55 H new ATOM 0 HB2 LYS A 67 -9.289 3.126 12.063 1.00 23.35 H new ATOM 0 HB3 LYS A 67 -10.887 2.443 11.837 1.00 23.35 H new ATOM 0 HG2 LYS A 67 -9.633 4.079 9.635 1.00 23.01 H new ATOM 0 HG3 LYS A 67 -9.147 2.412 9.870 1.00 23.01 H new ATOM 0 HD2 LYS A 67 -12.090 3.021 9.789 1.00 41.52 H new ATOM 0 HD3 LYS A 67 -11.199 3.080 8.281 1.00 41.52 H new ATOM 0 HE2 LYS A 67 -10.817 0.700 10.090 1.00 53.42 H new ATOM 0 HE3 LYS A 67 -12.294 0.813 9.154 1.00 53.42 H new ATOM 0 HZ1 LYS A 67 -10.595 -0.412 7.965 1.00 52.52 H new ATOM 0 HZ2 LYS A 67 -10.965 1.021 7.133 1.00 52.52 H new ATOM 0 HZ3 LYS A 67 -9.534 0.912 8.040 1.00 52.52 H new ATOM 1077 N TYR A 68 -10.467 4.254 14.287 1.00 40.41 N ATOM 1078 CA TYR A 68 -10.832 4.159 15.695 1.00 24.24 C ATOM 1079 C TYR A 68 -9.874 4.971 16.562 1.00 32.13 C ATOM 1080 O TYR A 68 -10.228 5.408 17.656 1.00 13.33 O ATOM 1081 CB TYR A 68 -10.830 2.697 16.146 1.00 12.11 C ATOM 1082 CG TYR A 68 -10.977 1.712 15.008 1.00 14.52 C ATOM 1083 CD1 TYR A 68 -12.233 1.313 14.567 1.00 23.30 C ATOM 1084 CD2 TYR A 68 -9.861 1.183 14.373 1.00 24.44 C ATOM 1085 CE1 TYR A 68 -12.372 0.413 13.528 1.00 24.33 C ATOM 1086 CE2 TYR A 68 -9.990 0.283 13.333 1.00 50.22 C ATOM 1087 CZ TYR A 68 -11.247 -0.099 12.914 1.00 15.03 C ATOM 1088 OH TYR A 68 -11.382 -0.995 11.878 1.00 3.42 O ATOM 0 H TYR A 68 -9.477 4.101 14.097 1.00 40.41 H new ATOM 0 HA TYR A 68 -11.836 4.568 15.813 1.00 24.24 H new ATOM 0 HB2 TYR A 68 -9.900 2.490 16.676 1.00 12.11 H new ATOM 0 HB3 TYR A 68 -11.643 2.543 16.856 1.00 12.11 H new ATOM 0 HD1 TYR A 68 -13.115 1.713 15.044 1.00 23.30 H new ATOM 0 HD2 TYR A 68 -8.875 1.480 14.698 1.00 24.44 H new ATOM 0 HE1 TYR A 68 -13.355 0.112 13.198 1.00 24.33 H new ATOM 0 HE2 TYR A 68 -9.111 -0.119 12.851 1.00 50.22 H new ATOM 0 HH TYR A 68 -10.495 -1.258 11.555 1.00 3.42 H new ATOM 1098 N GLY A 69 -8.658 5.169 16.064 1.00 64.15 N ATOM 1099 CA GLY A 69 -7.667 5.928 16.804 1.00 41.22 C ATOM 1100 C GLY A 69 -7.091 5.149 17.969 1.00 20.42 C ATOM 1101 O GLY A 69 -6.061 5.524 18.529 1.00 1.32 O ATOM 0 H GLY A 69 -8.341 4.817 15.161 1.00 64.15 H new ATOM 0 HA2 GLY A 69 -6.860 6.219 16.131 1.00 41.22 H new ATOM 0 HA3 GLY A 69 -8.120 6.847 17.174 1.00 41.22 H new ATOM 1105 N LYS A 70 -7.758 4.060 18.338 1.00 65.12 N ATOM 1106 CA LYS A 70 -7.307 3.224 19.445 1.00 51.44 C ATOM 1107 C LYS A 70 -7.712 1.770 19.228 1.00 21.21 C ATOM 1108 O LYS A 70 -8.640 1.463 18.480 1.00 52.54 O ATOM 1109 CB LYS A 70 -7.888 3.735 20.765 1.00 4.22 C ATOM 1110 CG LYS A 70 -9.288 3.223 21.052 1.00 14.24 C ATOM 1111 CD LYS A 70 -10.276 3.676 19.991 1.00 53.55 C ATOM 1112 CE LYS A 70 -11.709 3.363 20.392 1.00 14.04 C ATOM 1113 NZ LYS A 70 -12.695 4.062 19.522 1.00 71.32 N ATOM 0 H LYS A 70 -8.613 3.736 17.886 1.00 65.12 H new ATOM 0 HA LYS A 70 -6.219 3.277 19.489 1.00 51.44 H new ATOM 0 HB2 LYS A 70 -7.228 3.440 21.581 1.00 4.22 H new ATOM 0 HB3 LYS A 70 -7.905 4.825 20.747 1.00 4.22 H new ATOM 0 HG2 LYS A 70 -9.276 2.134 21.098 1.00 14.24 H new ATOM 0 HG3 LYS A 70 -9.613 3.579 22.029 1.00 14.24 H new ATOM 0 HD2 LYS A 70 -10.169 4.748 19.827 1.00 53.55 H new ATOM 0 HD3 LYS A 70 -10.046 3.185 19.045 1.00 53.55 H new ATOM 0 HE2 LYS A 70 -11.875 2.287 20.336 1.00 14.04 H new ATOM 0 HE3 LYS A 70 -11.868 3.657 21.430 1.00 14.04 H new ATOM 0 HZ1 LYS A 70 -13.660 3.822 19.828 1.00 71.32 H new ATOM 0 HZ2 LYS A 70 -12.554 5.090 19.594 1.00 71.32 H new ATOM 0 HZ3 LYS A 70 -12.561 3.763 18.535 1.00 71.32 H new ATOM 1127 N PRO A 71 -7.001 0.851 19.899 1.00 73.23 N ATOM 1128 CA PRO A 71 -7.270 -0.587 19.797 1.00 52.30 C ATOM 1129 C PRO A 71 -8.587 -0.978 20.460 1.00 65.55 C ATOM 1130 O PRO A 71 -8.994 -0.380 21.454 1.00 24.23 O ATOM 1131 CB PRO A 71 -6.090 -1.221 20.536 1.00 23.53 C ATOM 1132 CG PRO A 71 -5.632 -0.173 21.490 1.00 43.40 C ATOM 1133 CD PRO A 71 -5.881 1.144 20.808 1.00 11.33 C ATOM 0 HA PRO A 71 -7.366 -0.912 18.761 1.00 52.30 H new ATOM 0 HB2 PRO A 71 -6.392 -2.128 21.060 1.00 23.53 H new ATOM 0 HB3 PRO A 71 -5.295 -1.502 19.845 1.00 23.53 H new ATOM 0 HG2 PRO A 71 -6.179 -0.235 22.431 1.00 43.40 H new ATOM 0 HG3 PRO A 71 -4.575 -0.296 21.727 1.00 43.40 H new ATOM 0 HD2 PRO A 71 -6.138 1.925 21.524 1.00 11.33 H new ATOM 0 HD3 PRO A 71 -5.001 1.487 20.264 1.00 11.33 H new ATOM 1141 N ASN A 72 -9.247 -1.987 19.901 1.00 34.41 N ATOM 1142 CA ASN A 72 -10.519 -2.459 20.439 1.00 65.05 C ATOM 1143 C ASN A 72 -10.313 -3.680 21.331 1.00 43.45 C ATOM 1144 O ASN A 72 -10.677 -3.672 22.507 1.00 42.43 O ATOM 1145 CB ASN A 72 -11.482 -2.802 19.300 1.00 4.11 C ATOM 1146 CG ASN A 72 -12.539 -1.735 19.096 1.00 14.55 C ATOM 1147 OD1 ASN A 72 -12.687 -1.192 18.001 1.00 33.51 O ATOM 1148 ND2 ASN A 72 -13.281 -1.428 20.154 1.00 13.42 N ATOM 0 H ASN A 72 -8.923 -2.493 19.077 1.00 34.41 H new ATOM 0 HA ASN A 72 -10.949 -1.659 21.042 1.00 65.05 H new ATOM 0 HB2 ASN A 72 -10.917 -2.931 18.377 1.00 4.11 H new ATOM 0 HB3 ASN A 72 -11.967 -3.754 19.513 1.00 4.11 H new ATOM 0 HD21 ASN A 72 -14.008 -0.717 20.078 1.00 13.42 H new ATOM 0 HD22 ASN A 72 -13.124 -1.904 21.043 1.00 13.42 H new ATOM 1155 N LYS A 73 -9.726 -4.728 20.763 1.00 11.00 N ATOM 1156 CA LYS A 73 -9.469 -5.956 21.505 1.00 31.35 C ATOM 1157 C LYS A 73 -7.977 -6.269 21.540 1.00 5.10 C ATOM 1158 O LYS A 73 -7.577 -7.433 21.556 1.00 61.35 O ATOM 1159 CB LYS A 73 -10.231 -7.125 20.877 1.00 34.23 C ATOM 1160 CG LYS A 73 -10.063 -7.222 19.371 1.00 54.52 C ATOM 1161 CD LYS A 73 -11.145 -6.445 18.638 1.00 2.14 C ATOM 1162 CE LYS A 73 -12.281 -7.354 18.196 1.00 13.13 C ATOM 1163 NZ LYS A 73 -13.068 -6.756 17.082 1.00 32.32 N ATOM 0 H LYS A 73 -9.419 -4.751 19.791 1.00 11.00 H new ATOM 0 HA LYS A 73 -9.816 -5.811 22.528 1.00 31.35 H new ATOM 0 HB2 LYS A 73 -9.892 -8.055 21.333 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -11.291 -7.024 21.110 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -9.083 -6.838 19.088 1.00 54.52 H new ATOM 0 HG3 LYS A 73 -10.096 -8.268 19.067 1.00 54.52 H new ATOM 0 HD2 LYS A 73 -11.536 -5.662 19.288 1.00 2.14 H new ATOM 0 HD3 LYS A 73 -10.713 -5.951 17.768 1.00 2.14 H new ATOM 0 HE2 LYS A 73 -11.875 -8.315 17.879 1.00 13.13 H new ATOM 0 HE3 LYS A 73 -12.940 -7.550 19.042 1.00 13.13 H new ATOM 0 HZ1 LYS A 73 -13.833 -7.406 16.809 1.00 32.32 H new ATOM 0 HZ2 LYS A 73 -13.477 -5.851 17.392 1.00 32.32 H new ATOM 0 HZ3 LYS A 73 -12.445 -6.593 16.265 1.00 32.32 H new ATOM 1177 N ARG A 74 -7.157 -5.222 21.553 1.00 35.45 N ATOM 1178 CA ARG A 74 -5.709 -5.386 21.587 1.00 72.13 C ATOM 1179 C ARG A 74 -5.126 -4.808 22.873 1.00 50.54 C ATOM 1180 O ARG A 74 -5.268 -3.617 23.151 1.00 10.30 O ATOM 1181 CB ARG A 74 -5.070 -4.708 20.374 1.00 41.43 C ATOM 1182 CG ARG A 74 -5.300 -5.451 19.068 1.00 20.43 C ATOM 1183 CD ARG A 74 -4.506 -6.747 19.018 1.00 21.31 C ATOM 1184 NE ARG A 74 -3.183 -6.556 18.429 1.00 32.22 N ATOM 1185 CZ ARG A 74 -2.216 -7.465 18.485 1.00 42.23 C ATOM 1186 NH1 ARG A 74 -2.423 -8.621 19.099 1.00 64.52 N ATOM 1187 NH2 ARG A 74 -1.039 -7.217 17.925 1.00 64.34 N ATOM 0 H ARG A 74 -7.471 -4.252 21.540 1.00 35.45 H new ATOM 0 HA ARG A 74 -5.488 -6.453 21.557 1.00 72.13 H new ATOM 0 HB2 ARG A 74 -5.468 -3.697 20.282 1.00 41.43 H new ATOM 0 HB3 ARG A 74 -3.998 -4.614 20.544 1.00 41.43 H new ATOM 0 HG2 ARG A 74 -6.362 -5.669 18.954 1.00 20.43 H new ATOM 0 HG3 ARG A 74 -5.013 -4.815 18.231 1.00 20.43 H new ATOM 0 HD2 ARG A 74 -4.400 -7.146 20.027 1.00 21.31 H new ATOM 0 HD3 ARG A 74 -5.057 -7.488 18.439 1.00 21.31 H new ATOM 0 HE ARG A 74 -2.991 -5.677 17.949 1.00 32.22 H new ATOM 0 HH11 ARG A 74 -3.327 -8.815 19.530 1.00 64.52 H new ATOM 0 HH12 ARG A 74 -1.679 -9.317 19.140 1.00 64.52 H new ATOM 0 HH21 ARG A 74 -0.877 -6.328 17.451 1.00 64.34 H new ATOM 0 HH22 ARG A 74 -0.297 -7.915 17.968 1.00 64.34 H new ATOM 1201 N LYS A 75 -4.470 -5.659 23.654 1.00 43.32 N ATOM 1202 CA LYS A 75 -3.864 -5.234 24.910 1.00 2.41 C ATOM 1203 C LYS A 75 -2.877 -4.094 24.680 1.00 40.51 C ATOM 1204 O LYS A 75 -2.203 -4.041 23.652 1.00 21.11 O ATOM 1205 CB LYS A 75 -3.152 -6.411 25.581 1.00 52.32 C ATOM 1206 CG LYS A 75 -2.157 -7.116 24.676 1.00 42.44 C ATOM 1207 CD LYS A 75 -0.726 -6.876 25.127 1.00 42.34 C ATOM 1208 CE LYS A 75 -0.344 -7.792 26.279 1.00 3.42 C ATOM 1209 NZ LYS A 75 0.295 -9.049 25.800 1.00 3.35 N ATOM 0 H LYS A 75 -4.344 -6.648 23.439 1.00 43.32 H new ATOM 0 HA LYS A 75 -4.659 -4.877 25.565 1.00 2.41 H new ATOM 0 HB2 LYS A 75 -2.632 -6.052 26.469 1.00 52.32 H new ATOM 0 HB3 LYS A 75 -3.897 -7.131 25.918 1.00 52.32 H new ATOM 0 HG2 LYS A 75 -2.363 -8.186 24.671 1.00 42.44 H new ATOM 0 HG3 LYS A 75 -2.281 -6.763 23.652 1.00 42.44 H new ATOM 0 HD2 LYS A 75 -0.047 -7.040 24.290 1.00 42.34 H new ATOM 0 HD3 LYS A 75 -0.609 -5.836 25.433 1.00 42.34 H new ATOM 0 HE2 LYS A 75 0.340 -7.269 26.947 1.00 3.42 H new ATOM 0 HE3 LYS A 75 -1.234 -8.035 26.860 1.00 3.42 H new ATOM 0 HZ1 LYS A 75 0.540 -9.646 26.615 1.00 3.35 H new ATOM 0 HZ2 LYS A 75 -0.367 -9.561 25.182 1.00 3.35 H new ATOM 0 HZ3 LYS A 75 1.158 -8.819 25.267 1.00 3.35 H new ATOM 1223 N GLY A 76 -2.796 -3.182 25.645 1.00 34.40 N ATOM 1224 CA GLY A 76 -1.888 -2.057 25.528 1.00 11.44 C ATOM 1225 C GLY A 76 -2.614 -0.749 25.279 1.00 61.52 C ATOM 1226 O GLY A 76 -1.989 0.306 25.175 1.00 1.21 O ATOM 0 H GLY A 76 -3.343 -3.203 26.505 1.00 34.40 H new ATOM 0 HA2 GLY A 76 -1.298 -1.974 26.441 1.00 11.44 H new ATOM 0 HA3 GLY A 76 -1.189 -2.242 24.713 1.00 11.44 H new ATOM 1230 N PHE A 77 -3.937 -0.819 25.180 1.00 14.13 N ATOM 1231 CA PHE A 77 -4.749 0.368 24.938 1.00 13.14 C ATOM 1232 C PHE A 77 -4.454 1.449 25.974 1.00 43.54 C ATOM 1233 O PHE A 77 -4.336 1.167 27.165 1.00 5.10 O ATOM 1234 CB PHE A 77 -6.236 0.010 24.969 1.00 34.41 C ATOM 1235 CG PHE A 77 -6.729 -0.390 26.331 1.00 63.34 C ATOM 1236 CD1 PHE A 77 -7.173 0.566 27.230 1.00 71.15 C ATOM 1237 CD2 PHE A 77 -6.747 -1.722 26.711 1.00 34.34 C ATOM 1238 CE1 PHE A 77 -7.626 0.201 28.483 1.00 22.42 C ATOM 1239 CE2 PHE A 77 -7.199 -2.094 27.964 1.00 54.33 C ATOM 1240 CZ PHE A 77 -7.640 -1.131 28.850 1.00 11.13 C ATOM 0 H PHE A 77 -4.470 -1.685 25.264 1.00 14.13 H new ATOM 0 HA PHE A 77 -4.496 0.755 23.951 1.00 13.14 H new ATOM 0 HB2 PHE A 77 -6.815 0.865 24.619 1.00 34.41 H new ATOM 0 HB3 PHE A 77 -6.419 -0.807 24.271 1.00 34.41 H new ATOM 0 HD1 PHE A 77 -7.165 1.609 26.948 1.00 71.15 H new ATOM 0 HD2 PHE A 77 -6.404 -2.479 26.021 1.00 34.34 H new ATOM 0 HE1 PHE A 77 -7.969 0.956 29.175 1.00 22.42 H new ATOM 0 HE2 PHE A 77 -7.207 -3.136 28.249 1.00 54.33 H new ATOM 0 HZ PHE A 77 -7.995 -1.419 29.828 1.00 11.13 H new ATOM 1250 N ASN A 78 -4.335 2.689 25.508 1.00 31.24 N ATOM 1251 CA ASN A 78 -4.052 3.813 26.393 1.00 51.31 C ATOM 1252 C ASN A 78 -2.697 3.643 27.073 1.00 60.01 C ATOM 1253 O ASN A 78 -2.434 4.245 28.113 1.00 10.22 O ATOM 1254 CB ASN A 78 -5.152 3.948 27.448 1.00 5.14 C ATOM 1255 CG ASN A 78 -5.940 5.235 27.300 1.00 34.25 C ATOM 1256 OD1 ASN A 78 -7.163 5.213 27.158 1.00 40.45 O ATOM 1257 ND2 ASN A 78 -5.242 6.364 27.334 1.00 72.10 N ATOM 0 H ASN A 78 -4.430 2.940 24.524 1.00 31.24 H new ATOM 0 HA ASN A 78 -4.024 4.720 25.789 1.00 51.31 H new ATOM 0 HB2 ASN A 78 -5.831 3.099 27.372 1.00 5.14 H new ATOM 0 HB3 ASN A 78 -4.705 3.911 28.442 1.00 5.14 H new ATOM 0 HD21 ASN A 78 -5.718 7.261 27.241 1.00 72.10 H new ATOM 0 HD22 ASN A 78 -4.229 6.334 27.454 1.00 72.10 H new ATOM 1264 N GLU A 79 -1.841 2.819 26.477 1.00 71.24 N ATOM 1265 CA GLU A 79 -0.513 2.570 27.025 1.00 33.54 C ATOM 1266 C GLU A 79 0.571 2.945 26.019 1.00 74.52 C ATOM 1267 O GLU A 79 1.384 2.109 25.626 1.00 2.43 O ATOM 1268 CB GLU A 79 -0.369 1.099 27.422 1.00 32.15 C ATOM 1269 CG GLU A 79 0.731 0.848 28.440 1.00 12.22 C ATOM 1270 CD GLU A 79 0.591 1.716 29.676 1.00 31.31 C ATOM 1271 OE1 GLU A 79 -0.524 1.778 30.235 1.00 51.34 O ATOM 1272 OE2 GLU A 79 1.597 2.332 30.085 1.00 65.04 O ATOM 0 H GLU A 79 -2.043 2.313 25.615 1.00 71.24 H new ATOM 0 HA GLU A 79 -0.392 3.192 27.912 1.00 33.54 H new ATOM 0 HB2 GLU A 79 -1.317 0.747 27.829 1.00 32.15 H new ATOM 0 HB3 GLU A 79 -0.167 0.508 26.528 1.00 32.15 H new ATOM 0 HG2 GLU A 79 0.716 -0.201 28.734 1.00 12.22 H new ATOM 0 HG3 GLU A 79 1.700 1.036 27.977 1.00 12.22 H new ATOM 1279 N GLY A 80 0.574 4.208 25.604 1.00 32.04 N ATOM 1280 CA GLY A 80 1.561 4.672 24.647 1.00 53.11 C ATOM 1281 C GLY A 80 0.937 5.104 23.335 1.00 51.32 C ATOM 1282 O GLY A 80 1.635 5.553 22.424 1.00 23.55 O ATOM 0 H GLY A 80 -0.090 4.918 25.914 1.00 32.04 H new ATOM 0 HA2 GLY A 80 2.114 5.508 25.076 1.00 53.11 H new ATOM 0 HA3 GLY A 80 2.282 3.877 24.459 1.00 53.11 H new ATOM 1286 N LEU A 81 -0.381 4.969 23.235 1.00 22.21 N ATOM 1287 CA LEU A 81 -1.099 5.347 22.023 1.00 14.32 C ATOM 1288 C LEU A 81 -0.997 6.849 21.776 1.00 33.02 C ATOM 1289 O LEU A 81 -0.982 7.300 20.631 1.00 72.22 O ATOM 1290 CB LEU A 81 -2.569 4.935 22.128 1.00 23.11 C ATOM 1291 CG LEU A 81 -3.482 5.411 20.997 1.00 23.45 C ATOM 1292 CD1 LEU A 81 -3.674 4.309 19.967 1.00 23.31 C ATOM 1293 CD2 LEU A 81 -4.824 5.865 21.551 1.00 11.15 C ATOM 0 H LEU A 81 -0.974 4.601 23.979 1.00 22.21 H new ATOM 0 HA LEU A 81 -0.641 4.827 21.182 1.00 14.32 H new ATOM 0 HB2 LEU A 81 -2.618 3.847 22.174 1.00 23.11 H new ATOM 0 HB3 LEU A 81 -2.965 5.312 23.071 1.00 23.11 H new ATOM 0 HG LEU A 81 -3.008 6.261 20.506 1.00 23.45 H new ATOM 0 HD11 LEU A 81 -4.326 4.666 19.170 1.00 23.31 H new ATOM 0 HD12 LEU A 81 -2.707 4.031 19.548 1.00 23.31 H new ATOM 0 HD13 LEU A 81 -4.126 3.440 20.444 1.00 23.31 H new ATOM 0 HD21 LEU A 81 -5.461 6.200 20.732 1.00 11.15 H new ATOM 0 HD22 LEU A 81 -5.304 5.034 22.067 1.00 11.15 H new ATOM 0 HD23 LEU A 81 -4.670 6.686 22.251 1.00 11.15 H new ATOM 1305 N TRP A 82 -0.925 7.617 22.857 1.00 13.20 N ATOM 1306 CA TRP A 82 -0.822 9.069 22.757 1.00 30.33 C ATOM 1307 C TRP A 82 0.614 9.494 22.471 1.00 71.11 C ATOM 1308 O TRP A 82 0.869 10.640 22.104 1.00 10.54 O ATOM 1309 CB TRP A 82 -1.314 9.725 24.048 1.00 4.43 C ATOM 1310 CG TRP A 82 -1.060 11.202 24.097 1.00 34.24 C ATOM 1311 CD1 TRP A 82 -1.893 12.191 23.658 1.00 43.33 C ATOM 1312 CD2 TRP A 82 0.105 11.855 24.614 1.00 74.33 C ATOM 1313 NE1 TRP A 82 -1.315 13.420 23.869 1.00 13.04 N ATOM 1314 CE2 TRP A 82 -0.090 13.241 24.455 1.00 32.15 C ATOM 1315 CE3 TRP A 82 1.292 11.404 25.196 1.00 61.31 C ATOM 1316 CZ2 TRP A 82 0.859 14.176 24.858 1.00 43.33 C ATOM 1317 CZ3 TRP A 82 2.234 12.333 25.594 1.00 13.43 C ATOM 1318 CH2 TRP A 82 2.013 13.707 25.425 1.00 71.34 C ATOM 0 H TRP A 82 -0.936 7.259 23.812 1.00 13.20 H new ATOM 0 HA TRP A 82 -1.450 9.397 21.929 1.00 30.33 H new ATOM 0 HB2 TRP A 82 -2.383 9.544 24.155 1.00 4.43 H new ATOM 0 HB3 TRP A 82 -0.824 9.251 24.898 1.00 4.43 H new ATOM 0 HD1 TRP A 82 -2.863 12.031 23.211 1.00 43.33 H new ATOM 0 HE1 TRP A 82 -1.731 14.320 23.628 1.00 13.04 H new ATOM 0 HE3 TRP A 82 1.470 10.348 25.332 1.00 61.31 H new ATOM 0 HZ2 TRP A 82 0.691 15.235 24.728 1.00 43.33 H new ATOM 0 HZ3 TRP A 82 3.156 11.995 26.043 1.00 13.43 H new ATOM 0 HH2 TRP A 82 2.768 14.409 25.748 1.00 71.34 H new ATOM 1329 N GLU A 83 1.547 8.563 22.640 1.00 24.33 N ATOM 1330 CA GLU A 83 2.958 8.844 22.400 1.00 70.51 C ATOM 1331 C GLU A 83 3.292 8.722 20.916 1.00 73.12 C ATOM 1332 O GLU A 83 4.272 9.296 20.440 1.00 32.13 O ATOM 1333 CB GLU A 83 3.836 7.889 23.211 1.00 24.04 C ATOM 1334 CG GLU A 83 3.964 8.275 24.675 1.00 11.24 C ATOM 1335 CD GLU A 83 4.377 7.109 25.552 1.00 13.15 C ATOM 1336 OE1 GLU A 83 4.357 5.961 25.062 1.00 45.00 O ATOM 1337 OE2 GLU A 83 4.719 7.346 26.730 1.00 23.40 O ATOM 0 H GLU A 83 1.352 7.608 22.942 1.00 24.33 H new ATOM 0 HA GLU A 83 3.157 9.868 22.717 1.00 70.51 H new ATOM 0 HB2 GLU A 83 3.422 6.883 23.144 1.00 24.04 H new ATOM 0 HB3 GLU A 83 4.830 7.855 22.765 1.00 24.04 H new ATOM 0 HG2 GLU A 83 4.697 9.076 24.773 1.00 11.24 H new ATOM 0 HG3 GLU A 83 3.011 8.670 25.027 1.00 11.24 H new ATOM 1344 N ILE A 84 2.470 7.970 20.191 1.00 43.55 N ATOM 1345 CA ILE A 84 2.678 7.774 18.761 1.00 35.32 C ATOM 1346 C ILE A 84 2.567 9.092 18.003 1.00 0.10 C ATOM 1347 O ILE A 84 3.110 9.238 16.908 1.00 62.31 O ATOM 1348 CB ILE A 84 1.663 6.772 18.178 1.00 40.42 C ATOM 1349 CG1 ILE A 84 2.136 6.272 16.811 1.00 33.24 C ATOM 1350 CG2 ILE A 84 0.289 7.415 18.066 1.00 13.41 C ATOM 1351 CD1 ILE A 84 1.224 5.230 16.201 1.00 24.03 C ATOM 0 H ILE A 84 1.655 7.487 20.570 1.00 43.55 H new ATOM 0 HA ILE A 84 3.684 7.373 18.640 1.00 35.32 H new ATOM 0 HB ILE A 84 1.589 5.918 18.851 1.00 40.42 H new ATOM 0 HG12 ILE A 84 2.213 7.119 16.130 1.00 33.24 H new ATOM 0 HG13 ILE A 84 3.137 5.853 16.913 1.00 33.24 H new ATOM 0 HG21 ILE A 84 -0.417 6.695 17.653 1.00 13.41 H new ATOM 0 HG22 ILE A 84 -0.048 7.727 19.054 1.00 13.41 H new ATOM 0 HG23 ILE A 84 0.346 8.284 17.411 1.00 13.41 H new ATOM 0 HD11 ILE A 84 1.620 4.921 15.234 1.00 24.03 H new ATOM 0 HD12 ILE A 84 1.166 4.365 16.862 1.00 24.03 H new ATOM 0 HD13 ILE A 84 0.228 5.652 16.067 1.00 24.03 H new ATOM 1363 N ASP A 85 1.862 10.050 18.594 1.00 51.52 N ATOM 1364 CA ASP A 85 1.682 11.359 17.976 1.00 43.12 C ATOM 1365 C ASP A 85 2.356 12.449 18.805 1.00 74.53 C ATOM 1366 O ASP A 85 2.222 13.636 18.512 1.00 24.03 O ATOM 1367 CB ASP A 85 0.194 11.671 17.814 1.00 34.44 C ATOM 1368 CG ASP A 85 -0.076 12.632 16.673 1.00 34.34 C ATOM 1369 OD1 ASP A 85 0.801 12.772 15.796 1.00 32.31 O ATOM 1370 OD2 ASP A 85 -1.165 13.245 16.658 1.00 23.54 O ATOM 0 H ASP A 85 1.406 9.945 19.500 1.00 51.52 H new ATOM 0 HA ASP A 85 2.149 11.335 16.991 1.00 43.12 H new ATOM 0 HB2 ASP A 85 -0.352 10.744 17.641 1.00 34.44 H new ATOM 0 HB3 ASP A 85 -0.188 12.097 18.742 1.00 34.44 H new ATOM 1375 N ASN A 86 3.078 12.035 19.841 1.00 41.22 N ATOM 1376 CA ASN A 86 3.771 12.976 20.713 1.00 0.14 C ATOM 1377 C ASN A 86 5.209 12.530 20.962 1.00 52.34 C ATOM 1378 O ASN A 86 6.155 13.172 20.507 1.00 23.53 O ATOM 1379 CB ASN A 86 3.030 13.110 22.045 1.00 34.21 C ATOM 1380 CG ASN A 86 1.758 13.926 21.919 1.00 11.44 C ATOM 1381 OD1 ASN A 86 1.731 15.110 22.257 1.00 21.14 O ATOM 1382 ND2 ASN A 86 0.696 13.296 21.431 1.00 11.04 N ATOM 0 H ASN A 86 3.198 11.055 20.097 1.00 41.22 H new ATOM 0 HA ASN A 86 3.791 13.946 20.216 1.00 0.14 H new ATOM 0 HB2 ASN A 86 2.786 12.117 22.423 1.00 34.21 H new ATOM 0 HB3 ASN A 86 3.687 13.578 22.778 1.00 34.21 H new ATOM 0 HD21 ASN A 86 -0.188 13.794 21.323 1.00 11.04 H new ATOM 0 HD22 ASN A 86 0.764 12.314 21.164 1.00 11.04 H new ATOM 1389 N ASN A 87 5.364 11.426 21.685 1.00 13.45 N ATOM 1390 CA ASN A 87 6.686 10.894 21.994 1.00 11.23 C ATOM 1391 C ASN A 87 6.916 9.563 21.285 1.00 51.20 C ATOM 1392 O ASN A 87 6.859 8.492 21.889 1.00 63.32 O ATOM 1393 CB ASN A 87 6.846 10.714 23.505 1.00 11.02 C ATOM 1394 CG ASN A 87 8.297 10.561 23.919 1.00 51.31 C ATOM 1395 OD1 ASN A 87 9.209 10.840 23.140 1.00 74.10 O ATOM 1396 ND2 ASN A 87 8.517 10.116 25.150 1.00 1.25 N ATOM 0 H ASN A 87 4.591 10.882 22.068 1.00 13.45 H new ATOM 0 HA ASN A 87 7.429 11.608 21.639 1.00 11.23 H new ATOM 0 HB2 ASN A 87 6.413 11.573 24.018 1.00 11.02 H new ATOM 0 HB3 ASN A 87 6.285 9.836 23.825 1.00 11.02 H new ATOM 0 HD21 ASN A 87 9.473 9.993 25.485 1.00 1.25 H new ATOM 0 HD22 ASN A 87 7.730 9.897 25.761 1.00 1.25 H new ATOM 1403 N PRO A 88 7.182 9.631 19.972 1.00 23.41 N ATOM 1404 CA PRO A 88 7.427 8.441 19.152 1.00 64.40 C ATOM 1405 C PRO A 88 8.755 7.769 19.487 1.00 41.44 C ATOM 1406 O PRO A 88 9.047 6.674 19.007 1.00 22.31 O ATOM 1407 CB PRO A 88 7.452 8.993 17.724 1.00 21.45 C ATOM 1408 CG PRO A 88 7.848 10.421 17.877 1.00 31.33 C ATOM 1409 CD PRO A 88 7.265 10.874 19.187 1.00 23.14 C ATOM 0 HA PRO A 88 6.671 7.672 19.313 1.00 64.40 H new ATOM 0 HB2 PRO A 88 8.163 8.449 17.102 1.00 21.45 H new ATOM 0 HB3 PRO A 88 6.476 8.902 17.247 1.00 21.45 H new ATOM 0 HG2 PRO A 88 8.933 10.528 17.875 1.00 31.33 H new ATOM 0 HG3 PRO A 88 7.467 11.022 17.052 1.00 31.33 H new ATOM 0 HD2 PRO A 88 7.899 11.615 19.674 1.00 23.14 H new ATOM 0 HD3 PRO A 88 6.285 11.331 19.054 1.00 23.14 H new ATOM 1417 N LYS A 89 9.557 8.433 20.313 1.00 54.12 N ATOM 1418 CA LYS A 89 10.853 7.901 20.714 1.00 63.51 C ATOM 1419 C LYS A 89 10.885 7.617 22.212 1.00 21.52 C ATOM 1420 O LYS A 89 11.808 8.031 22.913 1.00 22.13 O ATOM 1421 CB LYS A 89 11.967 8.884 20.347 1.00 61.33 C ATOM 1422 CG LYS A 89 11.840 9.451 18.944 1.00 55.05 C ATOM 1423 CD LYS A 89 13.190 9.868 18.386 1.00 51.23 C ATOM 1424 CE LYS A 89 13.658 11.185 18.986 1.00 25.34 C ATOM 1425 NZ LYS A 89 12.755 12.312 18.626 1.00 74.24 N ATOM 0 H LYS A 89 9.331 9.342 20.718 1.00 54.12 H new ATOM 0 HA LYS A 89 11.013 6.964 20.181 1.00 63.51 H new ATOM 0 HB2 LYS A 89 11.966 9.706 21.063 1.00 61.33 H new ATOM 0 HB3 LYS A 89 12.929 8.381 20.441 1.00 61.33 H new ATOM 0 HG2 LYS A 89 11.389 8.705 18.289 1.00 55.05 H new ATOM 0 HG3 LYS A 89 11.170 10.310 18.957 1.00 55.05 H new ATOM 0 HD2 LYS A 89 13.926 9.091 18.592 1.00 51.23 H new ATOM 0 HD3 LYS A 89 13.123 9.964 17.302 1.00 51.23 H new ATOM 0 HE2 LYS A 89 13.708 11.092 20.071 1.00 25.34 H new ATOM 0 HE3 LYS A 89 14.668 11.404 18.638 1.00 25.34 H new ATOM 0 HZ1 LYS A 89 13.269 13.211 18.717 1.00 74.24 H new ATOM 0 HZ2 LYS A 89 12.430 12.197 17.645 1.00 74.24 H new ATOM 0 HZ3 LYS A 89 11.934 12.317 19.264 1.00 74.24 H new ATOM 1439 N VAL A 90 9.871 6.906 22.697 1.00 45.11 N ATOM 1440 CA VAL A 90 9.785 6.564 24.112 1.00 50.33 C ATOM 1441 C VAL A 90 10.436 5.214 24.392 1.00 54.33 C ATOM 1442 O VAL A 90 10.069 4.520 25.340 1.00 11.54 O ATOM 1443 CB VAL A 90 8.322 6.526 24.591 1.00 11.14 C ATOM 1444 CG1 VAL A 90 7.614 5.293 24.051 1.00 65.13 C ATOM 1445 CG2 VAL A 90 8.259 6.564 26.111 1.00 74.22 C ATOM 0 H VAL A 90 9.098 6.556 22.131 1.00 45.11 H new ATOM 0 HA VAL A 90 10.319 7.341 24.659 1.00 50.33 H new ATOM 0 HB VAL A 90 7.809 7.407 24.206 1.00 11.14 H new ATOM 0 HG11 VAL A 90 6.582 5.284 24.400 1.00 65.13 H new ATOM 0 HG12 VAL A 90 7.628 5.313 22.961 1.00 65.13 H new ATOM 0 HG13 VAL A 90 8.124 4.397 24.404 1.00 65.13 H new ATOM 0 HG21 VAL A 90 7.218 6.536 26.433 1.00 74.22 H new ATOM 0 HG22 VAL A 90 8.788 5.702 26.519 1.00 74.22 H new ATOM 0 HG23 VAL A 90 8.726 7.480 26.472 1.00 74.22 H new ATOM 1455 N LYS A 91 11.404 4.847 23.560 1.00 64.21 N ATOM 1456 CA LYS A 91 12.109 3.580 23.718 1.00 42.24 C ATOM 1457 C LYS A 91 13.538 3.809 24.200 1.00 62.03 C ATOM 1458 O LYS A 91 14.210 2.879 24.647 1.00 75.23 O ATOM 1459 CB LYS A 91 12.123 2.812 22.394 1.00 41.53 C ATOM 1460 CG LYS A 91 12.361 3.696 21.181 1.00 33.40 C ATOM 1461 CD LYS A 91 13.759 4.291 21.190 1.00 72.32 C ATOM 1462 CE LYS A 91 14.298 4.468 19.779 1.00 52.33 C ATOM 1463 NZ LYS A 91 15.338 5.531 19.712 1.00 4.52 N ATOM 0 H LYS A 91 11.719 5.409 22.769 1.00 64.21 H new ATOM 0 HA LYS A 91 11.581 2.990 24.468 1.00 42.24 H new ATOM 0 HB2 LYS A 91 12.900 2.048 22.435 1.00 41.53 H new ATOM 0 HB3 LYS A 91 11.172 2.293 22.274 1.00 41.53 H new ATOM 0 HG2 LYS A 91 12.219 3.113 20.271 1.00 33.40 H new ATOM 0 HG3 LYS A 91 11.623 4.498 21.164 1.00 33.40 H new ATOM 0 HD2 LYS A 91 13.742 5.255 21.698 1.00 72.32 H new ATOM 0 HD3 LYS A 91 14.428 3.644 21.758 1.00 72.32 H new ATOM 0 HE2 LYS A 91 14.719 3.525 19.430 1.00 52.33 H new ATOM 0 HE3 LYS A 91 13.478 4.719 19.106 1.00 52.33 H new ATOM 0 HZ1 LYS A 91 15.619 5.680 18.722 1.00 4.52 H new ATOM 0 HZ2 LYS A 91 14.955 6.417 20.100 1.00 4.52 H new ATOM 0 HZ3 LYS A 91 16.168 5.240 20.267 1.00 4.52 H new ATOM 1477 N PHE A 92 13.997 5.053 24.107 1.00 31.23 N ATOM 1478 CA PHE A 92 15.346 5.404 24.535 1.00 63.43 C ATOM 1479 C PHE A 92 16.373 4.448 23.934 1.00 71.12 C ATOM 1480 O PHE A 92 16.773 3.471 24.567 1.00 34.11 O ATOM 1481 CB PHE A 92 15.443 5.380 26.062 1.00 71.35 C ATOM 1482 CG PHE A 92 14.199 5.866 26.749 1.00 72.34 C ATOM 1483 CD1 PHE A 92 13.892 7.216 26.781 1.00 52.45 C ATOM 1484 CD2 PHE A 92 13.337 4.972 27.363 1.00 33.20 C ATOM 1485 CE1 PHE A 92 12.748 7.667 27.412 1.00 54.04 C ATOM 1486 CE2 PHE A 92 12.191 5.416 27.995 1.00 11.42 C ATOM 1487 CZ PHE A 92 11.897 6.766 28.021 1.00 74.34 C ATOM 0 H PHE A 92 13.455 5.835 23.739 1.00 31.23 H new ATOM 0 HA PHE A 92 15.562 6.412 24.180 1.00 63.43 H new ATOM 0 HB2 PHE A 92 15.655 4.362 26.389 1.00 71.35 H new ATOM 0 HB3 PHE A 92 16.286 5.997 26.374 1.00 71.35 H new ATOM 0 HD1 PHE A 92 14.555 7.925 26.307 1.00 52.45 H new ATOM 0 HD2 PHE A 92 13.563 3.916 27.348 1.00 33.20 H new ATOM 0 HE1 PHE A 92 12.520 8.723 27.429 1.00 54.04 H new ATOM 0 HE2 PHE A 92 11.526 4.709 28.468 1.00 11.42 H new ATOM 0 HZ PHE A 92 11.003 7.116 28.517 1.00 74.34 H new ATOM 1497 N SER A 93 16.795 4.737 22.707 1.00 12.10 N ATOM 1498 CA SER A 93 17.771 3.902 22.018 1.00 63.22 C ATOM 1499 C SER A 93 18.487 4.691 20.926 1.00 50.23 C ATOM 1500 O SER A 93 18.105 5.816 20.608 1.00 51.22 O ATOM 1501 CB SER A 93 17.087 2.675 21.411 1.00 0.31 C ATOM 1502 OG SER A 93 16.874 2.846 20.021 1.00 54.14 O ATOM 0 H SER A 93 16.476 5.543 22.170 1.00 12.10 H new ATOM 0 HA SER A 93 18.510 3.573 22.748 1.00 63.22 H new ATOM 0 HB2 SER A 93 17.701 1.791 21.582 1.00 0.31 H new ATOM 0 HB3 SER A 93 16.133 2.502 21.910 1.00 0.31 H new ATOM 0 HG SER A 93 16.313 2.117 19.684 1.00 54.14 H new TER 1508 SER A 93